USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 111 SER OG : rot 180:sc= 0.213 USER MOD Set 1.2: A 113 ASN : amide:sc= -2.29! C(o=-2.1!,f=-2.5!) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= -0.164 USER MOD Set 2.2: A 65 THR OG1 : rot -177:sc= -0.449 USER MOD Set 3.1: A 27 GLN : amide:sc= -0.445 X(o=-0.43,f=-0.23) USER MOD Set 3.2: A 30 THR OG1 : rot -120:sc= -0.0849 USER MOD Set 3.3: A 32 TYR OH : rot -30:sc= 0.0995 USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.0236 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -4.09! USER MOD Single : A 8 THR OG1 : rot 180:sc= -5.29! USER MOD Single : A 10 SER OG : rot 64:sc= -0.339! USER MOD Single : A 11 SER OG : rot 45:sc= 1.17 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -21.6! C(o=-22!,f=-19!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.123 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 70:sc= -2.18! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 98 SER OG : rot 78:sc= -7.16! USER MOD Single : A 103 ASN : amide:sc= -9.7! C(o=-9.7!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.587 13.494 -6.452 1.00 0.00 N ATOM 2 CA ALA A 1 1.998 13.229 -6.647 1.00 0.00 C ATOM 3 C ALA A 1 2.541 12.434 -5.468 1.00 0.00 C ATOM 4 O ALA A 1 2.185 12.699 -4.322 1.00 0.00 O ATOM 5 CB ALA A 1 2.747 14.550 -6.799 1.00 0.00 C ATOM 0 H1 ALA A 1 0.027 12.828 -7.022 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.347 13.376 -5.447 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.373 14.468 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 1 2.139 12.640 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.809 14.351 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.357 15.092 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.611 15.151 -5.900 1.00 0.00 H new ATOM 11 N ALA A 2 3.405 11.457 -5.752 1.00 0.00 N ATOM 12 CA ALA A 2 3.990 10.629 -4.716 1.00 0.00 C ATOM 13 C ALA A 2 5.243 11.297 -4.168 1.00 0.00 C ATOM 14 O ALA A 2 6.157 11.620 -4.924 1.00 0.00 O ATOM 15 CB ALA A 2 4.317 9.254 -5.291 1.00 0.00 C ATOM 0 H ALA A 2 3.711 11.226 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 2 3.281 10.507 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.757 8.630 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.403 8.786 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.025 9.362 -6.113 1.00 0.00 H new ATOM 21 N PRO A 3 5.283 11.505 -2.850 1.00 0.00 N ATOM 22 CA PRO A 3 6.391 12.125 -2.155 1.00 0.00 C ATOM 23 C PRO A 3 7.568 11.161 -2.111 1.00 0.00 C ATOM 24 O PRO A 3 7.520 10.091 -2.713 1.00 0.00 O ATOM 25 CB PRO A 3 5.862 12.409 -0.751 1.00 0.00 C ATOM 26 CG PRO A 3 4.838 11.294 -0.543 1.00 0.00 C ATOM 27 CD PRO A 3 4.225 11.139 -1.933 1.00 0.00 C ATOM 0 HA PRO A 3 6.743 13.035 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.656 12.373 -0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.405 13.396 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.308 10.371 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.090 11.565 0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.890 10.116 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.355 11.785 -2.055 1.00 0.00 H new ATOM 35 N THR A 4 8.629 11.544 -1.396 1.00 0.00 N ATOM 36 CA THR A 4 9.809 10.712 -1.280 1.00 0.00 C ATOM 37 C THR A 4 9.720 9.857 -0.024 1.00 0.00 C ATOM 38 O THR A 4 9.843 10.367 1.087 1.00 0.00 O ATOM 39 CB THR A 4 11.052 11.596 -1.245 1.00 0.00 C ATOM 40 OG1 THR A 4 11.423 11.938 -2.562 1.00 0.00 O ATOM 41 CG2 THR A 4 12.196 10.840 -0.575 1.00 0.00 C ATOM 0 H THR A 4 8.686 12.428 -0.891 1.00 0.00 H new ATOM 0 HA THR A 4 9.875 10.048 -2.142 1.00 0.00 H new ATOM 0 HB THR A 4 10.836 12.503 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.220 12.507 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.084 11.472 -0.550 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.910 10.575 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.412 9.933 -1.139 1.00 0.00 H new ATOM 49 N ALA A 5 9.505 8.552 -0.204 1.00 0.00 N ATOM 50 CA ALA A 5 9.400 7.633 0.912 1.00 0.00 C ATOM 51 C ALA A 5 10.355 6.465 0.710 1.00 0.00 C ATOM 52 O ALA A 5 10.553 6.010 -0.414 1.00 0.00 O ATOM 53 CB ALA A 5 7.961 7.141 1.030 1.00 0.00 C ATOM 0 H ALA A 5 9.401 8.114 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 5 9.673 8.143 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.880 6.450 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.298 7.991 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.674 6.631 0.111 1.00 0.00 H new ATOM 59 N THR A 6 10.948 5.980 1.803 1.00 0.00 N ATOM 60 CA THR A 6 11.876 4.869 1.736 1.00 0.00 C ATOM 61 C THR A 6 11.162 3.574 2.096 1.00 0.00 C ATOM 62 O THR A 6 10.764 3.380 3.243 1.00 0.00 O ATOM 63 CB THR A 6 13.043 5.125 2.685 1.00 0.00 C ATOM 64 OG1 THR A 6 12.574 5.784 3.840 1.00 0.00 O ATOM 65 CG2 THR A 6 14.083 5.998 1.989 1.00 0.00 C ATOM 0 H THR A 6 10.796 6.346 2.743 1.00 0.00 H new ATOM 0 HA THR A 6 12.263 4.775 0.721 1.00 0.00 H new ATOM 0 HB THR A 6 13.496 4.175 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.323 5.947 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.917 6.181 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.446 5.489 1.096 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.630 6.948 1.706 1.00 0.00 H new ATOM 73 N VAL A 7 11.002 2.686 1.112 1.00 0.00 N ATOM 74 CA VAL A 7 10.339 1.416 1.328 1.00 0.00 C ATOM 75 C VAL A 7 11.357 0.287 1.262 1.00 0.00 C ATOM 76 O VAL A 7 12.296 0.341 0.472 1.00 0.00 O ATOM 77 CB VAL A 7 9.250 1.226 0.276 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.438 -0.023 0.604 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.330 2.444 0.271 1.00 0.00 C ATOM 0 H VAL A 7 11.327 2.832 0.156 1.00 0.00 H new ATOM 0 HA VAL A 7 9.877 1.405 2.315 1.00 0.00 H new ATOM 0 HB VAL A 7 9.709 1.113 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.660 -0.159 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.095 -0.893 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.978 0.089 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.552 2.309 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.871 2.557 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.910 3.337 0.037 1.00 0.00 H new ATOM 89 N THR A 8 11.168 -0.740 2.094 1.00 0.00 N ATOM 90 CA THR A 8 12.070 -1.873 2.121 1.00 0.00 C ATOM 91 C THR A 8 11.951 -2.662 0.826 1.00 0.00 C ATOM 92 O THR A 8 11.110 -2.356 -0.016 1.00 0.00 O ATOM 93 CB THR A 8 11.742 -2.755 3.323 1.00 0.00 C ATOM 94 OG1 THR A 8 12.938 -3.216 3.908 1.00 0.00 O ATOM 95 CG2 THR A 8 10.906 -3.948 2.866 1.00 0.00 C ATOM 0 H THR A 8 10.394 -0.802 2.756 1.00 0.00 H new ATOM 0 HA THR A 8 13.097 -1.520 2.214 1.00 0.00 H new ATOM 0 HB THR A 8 11.179 -2.176 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.728 -3.781 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.672 -4.578 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.980 -3.592 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.468 -4.527 2.133 1.00 0.00 H new ATOM 103 N PRO A 9 12.798 -3.682 0.667 1.00 0.00 N ATOM 104 CA PRO A 9 12.830 -4.543 -0.496 1.00 0.00 C ATOM 105 C PRO A 9 11.615 -5.460 -0.486 1.00 0.00 C ATOM 106 O PRO A 9 11.445 -6.259 0.432 1.00 0.00 O ATOM 107 CB PRO A 9 14.122 -5.344 -0.354 1.00 0.00 C ATOM 108 CG PRO A 9 14.302 -5.432 1.161 1.00 0.00 C ATOM 109 CD PRO A 9 13.799 -4.071 1.637 1.00 0.00 C ATOM 0 HA PRO A 9 12.803 -3.990 -1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.038 -6.331 -0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.963 -4.843 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.724 -6.250 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.344 -5.598 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.374 -4.135 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.610 -3.344 1.681 1.00 0.00 H new ATOM 117 N SER A 10 10.769 -5.342 -1.512 1.00 0.00 N ATOM 118 CA SER A 10 9.576 -6.159 -1.614 1.00 0.00 C ATOM 119 C SER A 10 9.660 -7.042 -2.852 1.00 0.00 C ATOM 120 O SER A 10 8.697 -7.145 -3.609 1.00 0.00 O ATOM 121 CB SER A 10 8.347 -5.258 -1.675 1.00 0.00 C ATOM 122 OG SER A 10 8.210 -4.737 -2.978 1.00 0.00 O ATOM 0 H SER A 10 10.896 -4.685 -2.281 1.00 0.00 H new ATOM 0 HA SER A 10 9.495 -6.802 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.455 -5.822 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.443 -4.445 -0.955 1.00 0.00 H new ATOM 0 HG SER A 10 8.043 -5.469 -3.607 1.00 0.00 H new ATOM 128 N SER A 11 10.815 -7.680 -3.055 1.00 0.00 N ATOM 129 CA SER A 11 11.016 -8.550 -4.196 1.00 0.00 C ATOM 130 C SER A 11 11.455 -9.929 -3.723 1.00 0.00 C ATOM 131 O SER A 11 12.596 -10.110 -3.305 1.00 0.00 O ATOM 132 CB SER A 11 12.062 -7.938 -5.123 1.00 0.00 C ATOM 133 OG SER A 11 13.307 -7.895 -4.463 1.00 0.00 O ATOM 0 H SER A 11 11.623 -7.604 -2.437 1.00 0.00 H new ATOM 0 HA SER A 11 10.081 -8.657 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.143 -8.527 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.759 -6.933 -5.417 1.00 0.00 H new ATOM 0 HG SER A 11 13.467 -8.749 -4.010 1.00 0.00 H new ATOM 139 N GLY A 12 10.545 -10.904 -3.792 1.00 0.00 N ATOM 140 CA GLY A 12 10.847 -12.257 -3.371 1.00 0.00 C ATOM 141 C GLY A 12 10.458 -12.456 -1.913 1.00 0.00 C ATOM 142 O GLY A 12 11.050 -13.277 -1.216 1.00 0.00 O ATOM 0 H GLY A 12 9.594 -10.772 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.310 -12.969 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.911 -12.457 -3.501 1.00 0.00 H new ATOM 146 N LEU A 13 9.458 -11.700 -1.453 1.00 0.00 N ATOM 147 CA LEU A 13 8.995 -11.795 -0.083 1.00 0.00 C ATOM 148 C LEU A 13 7.681 -12.562 -0.034 1.00 0.00 C ATOM 149 O LEU A 13 6.752 -12.254 -0.778 1.00 0.00 O ATOM 150 CB LEU A 13 8.824 -10.393 0.494 1.00 0.00 C ATOM 151 CG LEU A 13 9.921 -9.483 -0.049 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.224 -8.387 0.969 1.00 0.00 C ATOM 153 CD2 LEU A 13 11.183 -10.303 -0.305 1.00 0.00 C ATOM 0 H LEU A 13 8.957 -11.015 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 13 9.729 -12.333 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.844 -9.996 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.871 -10.428 1.582 1.00 0.00 H new ATOM 0 HG LEU A 13 9.587 -9.029 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.008 -7.737 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.323 -7.801 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.557 -8.840 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.967 -9.653 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.517 -10.757 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.967 -11.085 -1.033 1.00 0.00 H new ATOM 165 N SER A 14 7.605 -13.564 0.845 1.00 0.00 N ATOM 166 CA SER A 14 6.407 -14.366 0.986 1.00 0.00 C ATOM 167 C SER A 14 5.655 -13.955 2.244 1.00 0.00 C ATOM 168 O SER A 14 6.166 -13.181 3.051 1.00 0.00 O ATOM 169 CB SER A 14 6.788 -15.843 1.043 1.00 0.00 C ATOM 170 OG SER A 14 7.775 -16.110 0.072 1.00 0.00 O ATOM 0 H SER A 14 8.367 -13.833 1.468 1.00 0.00 H new ATOM 0 HA SER A 14 5.755 -14.205 0.128 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.161 -16.096 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.910 -16.464 0.865 1.00 0.00 H new ATOM 0 HG SER A 14 8.022 -17.058 0.109 1.00 0.00 H new ATOM 176 N ASP A 15 4.437 -14.476 2.410 1.00 0.00 N ATOM 177 CA ASP A 15 3.622 -14.161 3.567 1.00 0.00 C ATOM 178 C ASP A 15 4.465 -14.254 4.831 1.00 0.00 C ATOM 179 O ASP A 15 5.320 -15.129 4.946 1.00 0.00 O ATOM 180 CB ASP A 15 2.440 -15.124 3.632 1.00 0.00 C ATOM 181 CG ASP A 15 1.947 -15.283 5.063 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.355 -14.306 5.571 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.171 -16.378 5.623 1.00 0.00 O ATOM 0 H ASP A 15 3.999 -15.119 1.750 1.00 0.00 H new ATOM 0 HA ASP A 15 3.240 -13.144 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.630 -14.755 3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.735 -16.095 3.235 1.00 0.00 H new ATOM 188 N GLY A 16 4.223 -13.348 5.781 1.00 0.00 N ATOM 189 CA GLY A 16 4.962 -13.337 7.027 1.00 0.00 C ATOM 190 C GLY A 16 6.005 -12.228 7.012 1.00 0.00 C ATOM 191 O GLY A 16 6.440 -11.766 8.065 1.00 0.00 O ATOM 0 H GLY A 16 3.518 -12.615 5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.277 -13.191 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.448 -14.301 7.178 1.00 0.00 H new ATOM 195 N THR A 17 6.407 -11.800 5.813 1.00 0.00 N ATOM 196 CA THR A 17 7.394 -10.749 5.672 1.00 0.00 C ATOM 197 C THR A 17 6.751 -9.394 5.933 1.00 0.00 C ATOM 198 O THR A 17 5.571 -9.198 5.648 1.00 0.00 O ATOM 199 CB THR A 17 7.993 -10.800 4.269 1.00 0.00 C ATOM 200 OG1 THR A 17 8.457 -12.105 4.004 1.00 0.00 O ATOM 201 CG2 THR A 17 9.157 -9.818 4.176 1.00 0.00 C ATOM 0 H THR A 17 6.058 -12.172 4.929 1.00 0.00 H new ATOM 0 HA THR A 17 8.191 -10.896 6.401 1.00 0.00 H new ATOM 0 HB THR A 17 7.231 -10.529 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.777 -12.597 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.585 -9.855 3.174 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.799 -8.809 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.920 -10.088 4.906 1.00 0.00 H new ATOM 209 N VAL A 18 7.531 -8.458 6.478 1.00 0.00 N ATOM 210 CA VAL A 18 7.037 -7.129 6.776 1.00 0.00 C ATOM 211 C VAL A 18 7.908 -6.089 6.084 1.00 0.00 C ATOM 212 O VAL A 18 9.118 -6.051 6.296 1.00 0.00 O ATOM 213 CB VAL A 18 7.034 -6.914 8.286 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.471 -6.818 8.790 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.292 -5.621 8.615 1.00 0.00 C ATOM 0 H VAL A 18 8.511 -8.606 6.720 1.00 0.00 H new ATOM 0 HA VAL A 18 6.017 -7.024 6.407 1.00 0.00 H new ATOM 0 HB VAL A 18 6.535 -7.753 8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.469 -6.664 9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.001 -7.741 8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.971 -5.980 8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.290 -5.467 9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.791 -4.782 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.265 -5.689 8.256 1.00 0.00 H new ATOM 225 N VAL A 19 7.288 -5.245 5.256 1.00 0.00 N ATOM 226 CA VAL A 19 8.008 -4.211 4.540 1.00 0.00 C ATOM 227 C VAL A 19 8.022 -2.930 5.362 1.00 0.00 C ATOM 228 O VAL A 19 7.282 -2.806 6.335 1.00 0.00 O ATOM 229 CB VAL A 19 7.345 -3.977 3.185 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.298 -5.290 2.409 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.925 -3.459 3.396 1.00 0.00 C ATOM 0 H VAL A 19 6.285 -5.265 5.070 1.00 0.00 H new ATOM 0 HA VAL A 19 9.039 -4.526 4.376 1.00 0.00 H new ATOM 0 HB VAL A 19 7.919 -3.242 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.825 -5.124 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.312 -5.660 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.724 -6.025 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.451 -3.292 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.350 -4.194 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.958 -2.521 3.951 1.00 0.00 H new ATOM 241 N LYS A 20 8.868 -1.975 4.968 1.00 0.00 N ATOM 242 CA LYS A 20 8.973 -0.711 5.669 1.00 0.00 C ATOM 243 C LYS A 20 8.690 0.438 4.712 1.00 0.00 C ATOM 244 O LYS A 20 9.141 0.422 3.569 1.00 0.00 O ATOM 245 CB LYS A 20 10.368 -0.580 6.273 1.00 0.00 C ATOM 246 CG LYS A 20 10.259 -0.003 7.682 1.00 0.00 C ATOM 247 CD LYS A 20 10.081 1.510 7.601 1.00 0.00 C ATOM 248 CE LYS A 20 11.442 2.190 7.719 1.00 0.00 C ATOM 249 NZ LYS A 20 11.580 2.874 9.014 1.00 0.00 N ATOM 0 H LYS A 20 9.489 -2.062 4.163 1.00 0.00 H new ATOM 0 HA LYS A 20 8.238 -0.676 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.856 -1.554 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.987 0.066 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.415 -0.451 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.154 -0.244 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.608 1.781 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.421 1.852 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.233 1.449 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.564 2.909 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.514 3.328 9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.838 3.597 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.486 2.181 9.784 1.00 0.00 H new ATOM 263 N VAL A 21 7.939 1.437 5.182 1.00 0.00 N ATOM 264 CA VAL A 21 7.600 2.587 4.368 1.00 0.00 C ATOM 265 C VAL A 21 7.844 3.866 5.157 1.00 0.00 C ATOM 266 O VAL A 21 7.216 4.090 6.190 1.00 0.00 O ATOM 267 CB VAL A 21 6.140 2.489 3.935 1.00 0.00 C ATOM 268 CG1 VAL A 21 6.072 2.129 2.454 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.438 1.410 4.754 1.00 0.00 C ATOM 0 H VAL A 21 7.557 1.464 6.127 1.00 0.00 H new ATOM 0 HA VAL A 21 8.229 2.607 3.478 1.00 0.00 H new ATOM 0 HB VAL A 21 5.647 3.447 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.029 2.059 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.573 2.900 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.565 1.171 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.395 1.340 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.930 0.451 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.486 1.667 5.812 1.00 0.00 H new ATOM 279 N ALA A 22 8.760 4.705 4.668 1.00 0.00 N ATOM 280 CA ALA A 22 9.082 5.954 5.328 1.00 0.00 C ATOM 281 C ALA A 22 8.936 7.108 4.347 1.00 0.00 C ATOM 282 O ALA A 22 9.659 7.178 3.355 1.00 0.00 O ATOM 283 CB ALA A 22 10.505 5.886 5.875 1.00 0.00 C ATOM 0 H ALA A 22 9.289 4.533 3.813 1.00 0.00 H new ATOM 0 HA ALA A 22 8.395 6.120 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.749 6.825 6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.581 5.067 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.203 5.718 5.054 1.00 0.00 H new ATOM 289 N GLY A 23 7.996 8.016 4.623 1.00 0.00 N ATOM 290 CA GLY A 23 7.765 9.158 3.762 1.00 0.00 C ATOM 291 C GLY A 23 8.767 10.262 4.068 1.00 0.00 C ATOM 292 O GLY A 23 9.148 10.456 5.221 1.00 0.00 O ATOM 0 H GLY A 23 7.386 7.974 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.852 8.858 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.750 9.529 3.904 1.00 0.00 H new ATOM 296 N ALA A 24 9.196 10.985 3.031 1.00 0.00 N ATOM 297 CA ALA A 24 10.151 12.062 3.192 1.00 0.00 C ATOM 298 C ALA A 24 9.819 13.194 2.230 1.00 0.00 C ATOM 299 O ALA A 24 10.049 13.077 1.029 1.00 0.00 O ATOM 300 CB ALA A 24 11.560 11.533 2.940 1.00 0.00 C ATOM 0 H ALA A 24 8.890 10.836 2.070 1.00 0.00 H new ATOM 0 HA ALA A 24 10.100 12.450 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.280 12.343 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.784 10.739 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.625 11.139 1.926 1.00 0.00 H new ATOM 306 N GLY A 25 9.276 14.292 2.761 1.00 0.00 N ATOM 307 CA GLY A 25 8.918 15.434 1.944 1.00 0.00 C ATOM 308 C GLY A 25 7.410 15.485 1.741 1.00 0.00 C ATOM 309 O GLY A 25 6.929 16.094 0.788 1.00 0.00 O ATOM 0 H GLY A 25 9.078 14.406 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.259 16.353 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.420 15.371 0.979 1.00 0.00 H new ATOM 313 N LEU A 26 6.663 14.841 2.641 1.00 0.00 N ATOM 314 CA LEU A 26 5.217 14.815 2.558 1.00 0.00 C ATOM 315 C LEU A 26 4.635 16.013 3.295 1.00 0.00 C ATOM 316 O LEU A 26 5.352 16.961 3.607 1.00 0.00 O ATOM 317 CB LEU A 26 4.697 13.509 3.153 1.00 0.00 C ATOM 318 CG LEU A 26 5.769 12.431 3.026 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.103 11.060 2.932 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.597 12.682 1.769 1.00 0.00 C ATOM 0 H LEU A 26 7.047 14.331 3.436 1.00 0.00 H new ATOM 0 HA LEU A 26 4.909 14.872 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.434 13.654 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.789 13.197 2.636 1.00 0.00 H new ATOM 0 HG LEU A 26 6.419 12.460 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.868 10.289 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.512 10.880 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.453 11.031 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.363 11.912 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.948 12.653 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.072 13.661 1.836 1.00 0.00 H new ATOM 332 N GLN A 27 3.330 15.968 3.573 1.00 0.00 N ATOM 333 CA GLN A 27 2.660 17.047 4.271 1.00 0.00 C ATOM 334 C GLN A 27 2.911 16.929 5.767 1.00 0.00 C ATOM 335 O GLN A 27 2.623 15.896 6.368 1.00 0.00 O ATOM 336 CB GLN A 27 1.166 16.996 3.967 1.00 0.00 C ATOM 337 CG GLN A 27 0.918 17.490 2.544 1.00 0.00 C ATOM 338 CD GLN A 27 0.390 16.366 1.664 1.00 0.00 C ATOM 339 OE1 GLN A 27 0.988 16.043 0.640 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.735 15.769 2.066 1.00 0.00 N ATOM 0 H GLN A 27 2.722 15.189 3.321 1.00 0.00 H new ATOM 0 HA GLN A 27 3.054 18.005 3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.796 15.977 4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.618 17.614 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.202 18.312 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.844 17.882 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.195 16.073 2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.134 15.009 1.515 1.00 0.00 H new ATOM 349 N ALA A 28 3.448 17.993 6.370 1.00 0.00 N ATOM 350 CA ALA A 28 3.734 18.004 7.790 1.00 0.00 C ATOM 351 C ALA A 28 2.436 18.119 8.577 1.00 0.00 C ATOM 352 O ALA A 28 1.616 18.992 8.300 1.00 0.00 O ATOM 353 CB ALA A 28 4.667 19.168 8.111 1.00 0.00 C ATOM 0 H ALA A 28 3.691 18.857 5.886 1.00 0.00 H new ATOM 0 HA ALA A 28 4.225 17.073 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.883 19.177 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.597 19.053 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.189 20.106 7.829 1.00 0.00 H new ATOM 359 N GLY A 29 2.250 17.236 9.560 1.00 0.00 N ATOM 360 CA GLY A 29 1.053 17.248 10.377 1.00 0.00 C ATOM 361 C GLY A 29 -0.116 16.647 9.608 1.00 0.00 C ATOM 362 O GLY A 29 -1.255 16.696 10.067 1.00 0.00 O ATOM 0 H GLY A 29 2.919 16.506 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.224 16.683 11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.816 18.270 10.673 1.00 0.00 H new ATOM 366 N THR A 30 0.168 16.079 8.434 1.00 0.00 N ATOM 367 CA THR A 30 -0.860 15.474 7.612 1.00 0.00 C ATOM 368 C THR A 30 -0.969 13.989 7.928 1.00 0.00 C ATOM 369 O THR A 30 0.035 13.334 8.197 1.00 0.00 O ATOM 370 CB THR A 30 -0.526 15.691 6.139 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.447 16.598 5.577 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.606 14.359 5.398 1.00 0.00 C ATOM 0 H THR A 30 1.107 16.030 8.038 1.00 0.00 H new ATOM 0 HA THR A 30 -1.822 15.941 7.826 1.00 0.00 H new ATOM 0 HB THR A 30 0.482 16.096 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.925 16.164 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.368 14.513 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.106 13.658 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.614 13.954 5.486 1.00 0.00 H new ATOM 380 N ALA A 31 -2.194 13.460 7.893 1.00 0.00 N ATOM 381 CA ALA A 31 -2.429 12.058 8.174 1.00 0.00 C ATOM 382 C ALA A 31 -2.376 11.256 6.882 1.00 0.00 C ATOM 383 O ALA A 31 -2.703 11.772 5.815 1.00 0.00 O ATOM 384 CB ALA A 31 -3.786 11.898 8.855 1.00 0.00 C ATOM 0 H ALA A 31 -3.036 13.991 7.671 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.654 11.682 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.965 10.844 9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.794 12.462 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.570 12.274 8.197 1.00 0.00 H new ATOM 390 N TYR A 32 -1.963 9.991 6.978 1.00 0.00 N ATOM 391 CA TYR A 32 -1.868 9.128 5.818 1.00 0.00 C ATOM 392 C TYR A 32 -2.387 7.740 6.162 1.00 0.00 C ATOM 393 O TYR A 32 -2.229 7.278 7.291 1.00 0.00 O ATOM 394 CB TYR A 32 -0.417 9.063 5.351 1.00 0.00 C ATOM 395 CG TYR A 32 0.054 10.324 4.666 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.583 10.766 3.500 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.126 11.051 5.197 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.148 11.935 2.865 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.561 12.220 4.562 1.00 0.00 C ATOM 400 CZ TYR A 32 0.925 12.662 3.396 1.00 0.00 C ATOM 401 OH TYR A 32 1.348 13.802 2.777 1.00 0.00 O ATOM 0 H TYR A 32 -1.690 9.548 7.855 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.478 9.531 5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.224 8.865 6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.302 8.223 4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.410 10.205 3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.617 10.710 6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.640 12.276 1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.388 12.781 4.972 1.00 0.00 H new ATOM 0 HH TYR A 32 1.180 13.733 1.814 1.00 0.00 H new ATOM 411 N ASP A 33 -3.007 7.072 5.186 1.00 0.00 N ATOM 412 CA ASP A 33 -3.545 5.743 5.392 1.00 0.00 C ATOM 413 C ASP A 33 -2.753 4.735 4.571 1.00 0.00 C ATOM 414 O ASP A 33 -2.788 4.768 3.343 1.00 0.00 O ATOM 415 CB ASP A 33 -5.019 5.725 4.996 1.00 0.00 C ATOM 416 CG ASP A 33 -5.908 6.010 6.198 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.336 6.306 7.269 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.143 5.926 6.023 1.00 0.00 O ATOM 0 H ASP A 33 -3.145 7.440 4.245 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.462 5.471 6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.200 6.469 4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.274 4.754 4.572 1.00 0.00 H new ATOM 423 N VAL A 34 -2.039 3.836 5.252 1.00 0.00 N ATOM 424 CA VAL A 34 -1.244 2.826 4.585 1.00 0.00 C ATOM 425 C VAL A 34 -1.983 1.495 4.602 1.00 0.00 C ATOM 426 O VAL A 34 -2.784 1.240 5.499 1.00 0.00 O ATOM 427 CB VAL A 34 0.109 2.702 5.280 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.194 2.439 4.240 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.420 4.000 6.021 1.00 0.00 C ATOM 0 H VAL A 34 -2.001 3.795 6.270 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.079 3.115 3.547 1.00 0.00 H new ATOM 0 HB VAL A 34 0.078 1.875 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.160 2.351 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.973 1.513 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.225 3.265 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.386 3.913 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.451 4.826 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.354 4.189 6.764 1.00 0.00 H new ATOM 439 N GLY A 35 -1.712 0.645 3.609 1.00 0.00 N ATOM 440 CA GLY A 35 -2.353 -0.651 3.520 1.00 0.00 C ATOM 441 C GLY A 35 -1.857 -1.403 2.293 1.00 0.00 C ATOM 442 O GLY A 35 -1.116 -0.852 1.482 1.00 0.00 O ATOM 0 H GLY A 35 -1.050 0.840 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.143 -1.230 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.434 -0.526 3.466 1.00 0.00 H new ATOM 446 N GLN A 36 -2.267 -2.666 2.159 1.00 0.00 N ATOM 447 CA GLN A 36 -1.861 -3.486 1.035 1.00 0.00 C ATOM 448 C GLN A 36 -3.027 -3.652 0.070 1.00 0.00 C ATOM 449 O GLN A 36 -4.072 -4.181 0.441 1.00 0.00 O ATOM 450 CB GLN A 36 -1.383 -4.843 1.544 1.00 0.00 C ATOM 451 CG GLN A 36 -1.029 -5.735 0.358 1.00 0.00 C ATOM 452 CD GLN A 36 -0.783 -7.167 0.811 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.576 -7.727 1.564 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.322 -7.759 0.350 1.00 0.00 N ATOM 0 H GLN A 36 -2.882 -3.137 2.822 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.041 -3.002 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.514 -4.716 2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.161 -5.312 2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.838 -5.714 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.140 -5.349 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.950 -7.252 -0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.538 -8.718 0.622 1.00 0.00 H new ATOM 463 N CYS A 37 -2.844 -3.199 -1.173 1.00 0.00 N ATOM 464 CA CYS A 37 -3.877 -3.299 -2.183 1.00 0.00 C ATOM 465 C CYS A 37 -3.481 -4.337 -3.224 1.00 0.00 C ATOM 466 O CYS A 37 -2.313 -4.709 -3.317 1.00 0.00 O ATOM 467 CB CYS A 37 -4.087 -1.934 -2.833 1.00 0.00 C ATOM 468 SG CYS A 37 -5.189 -0.839 -1.905 1.00 0.00 S ATOM 0 H CYS A 37 -1.982 -2.759 -1.496 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.813 -3.614 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.120 -1.446 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.493 -2.078 -3.834 1.00 0.00 H new ATOM 473 N ALA A 38 -4.456 -4.804 -4.006 1.00 0.00 N ATOM 474 CA ALA A 38 -4.205 -5.796 -5.032 1.00 0.00 C ATOM 475 C ALA A 38 -5.167 -5.590 -6.194 1.00 0.00 C ATOM 476 O ALA A 38 -6.356 -5.363 -5.985 1.00 0.00 O ATOM 477 CB ALA A 38 -4.364 -7.192 -4.439 1.00 0.00 C ATOM 0 H ALA A 38 -5.429 -4.504 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.187 -5.689 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.175 -7.939 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.652 -7.324 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.378 -7.312 -4.058 1.00 0.00 H new ATOM 483 N TRP A 39 -4.649 -5.670 -7.422 1.00 0.00 N ATOM 484 CA TRP A 39 -5.467 -5.494 -8.605 1.00 0.00 C ATOM 485 C TRP A 39 -6.506 -6.603 -8.687 1.00 0.00 C ATOM 486 O TRP A 39 -6.161 -7.782 -8.686 1.00 0.00 O ATOM 487 CB TRP A 39 -4.575 -5.496 -9.844 1.00 0.00 C ATOM 488 CG TRP A 39 -5.208 -6.061 -11.075 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.513 -5.944 -11.405 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.592 -6.832 -12.151 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.745 -6.586 -12.603 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.592 -7.152 -13.108 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.291 -7.294 -12.415 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.318 -7.890 -14.263 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -3.005 -8.035 -13.571 1.00 0.00 C ATOM 496 CH2 TRP A 39 -4.013 -8.334 -14.495 1.00 0.00 C ATOM 0 H TRP A 39 -3.665 -5.856 -7.614 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.990 -4.539 -8.550 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.263 -4.472 -10.051 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.672 -6.066 -9.623 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.260 -5.427 -10.820 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.656 -6.636 -13.059 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.498 -7.075 -11.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.105 -8.114 -14.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.997 -8.378 -13.750 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.784 -8.905 -15.383 1.00 0.00 H new ATOM 507 N VAL A 40 -7.783 -6.221 -8.759 1.00 0.00 N ATOM 508 CA VAL A 40 -8.866 -7.181 -8.841 1.00 0.00 C ATOM 509 C VAL A 40 -9.365 -7.272 -10.276 1.00 0.00 C ATOM 510 O VAL A 40 -9.645 -8.362 -10.769 1.00 0.00 O ATOM 511 CB VAL A 40 -9.992 -6.758 -7.902 1.00 0.00 C ATOM 512 CG1 VAL A 40 -11.327 -6.853 -8.634 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.012 -7.680 -6.685 1.00 0.00 C ATOM 0 H VAL A 40 -8.085 -5.247 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.509 -8.165 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.828 -5.730 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.132 -6.551 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.313 -6.196 -9.503 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.492 -7.880 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.816 -7.379 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.176 -8.708 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.058 -7.613 -6.162 1.00 0.00 H new ATOM 523 N ASP A 41 -9.476 -6.123 -10.945 1.00 0.00 N ATOM 524 CA ASP A 41 -9.941 -6.079 -12.317 1.00 0.00 C ATOM 525 C ASP A 41 -9.315 -4.892 -13.036 1.00 0.00 C ATOM 526 O ASP A 41 -8.552 -4.136 -12.439 1.00 0.00 O ATOM 527 CB ASP A 41 -11.464 -5.980 -12.335 1.00 0.00 C ATOM 528 CG ASP A 41 -12.095 -7.353 -12.515 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.042 -8.135 -11.541 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.620 -7.596 -13.623 1.00 0.00 O ATOM 0 H ASP A 41 -9.247 -5.211 -10.550 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.643 -6.991 -12.835 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.814 -5.533 -11.405 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.780 -5.321 -13.144 1.00 0.00 H new ATOM 535 N THR A 42 -9.639 -4.730 -14.321 1.00 0.00 N ATOM 536 CA THR A 42 -9.106 -3.636 -15.107 1.00 0.00 C ATOM 537 C THR A 42 -9.629 -2.310 -14.573 1.00 0.00 C ATOM 538 O THR A 42 -10.808 -1.998 -14.724 1.00 0.00 O ATOM 539 CB THR A 42 -9.501 -3.823 -16.570 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.686 -4.815 -17.153 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.315 -2.507 -17.319 1.00 0.00 C ATOM 0 H THR A 42 -10.269 -5.348 -14.832 1.00 0.00 H new ATOM 0 HA THR A 42 -8.018 -3.629 -15.034 1.00 0.00 H new ATOM 0 HB THR A 42 -10.545 -4.130 -16.629 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.940 -4.937 -18.092 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.597 -2.640 -18.364 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.944 -1.740 -16.868 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.271 -2.200 -17.261 1.00 0.00 H new ATOM 549 N GLY A 43 -8.747 -1.527 -13.947 1.00 0.00 N ATOM 550 CA GLY A 43 -9.127 -0.242 -13.396 1.00 0.00 C ATOM 551 C GLY A 43 -9.832 -0.428 -12.060 1.00 0.00 C ATOM 552 O GLY A 43 -10.401 0.517 -11.519 1.00 0.00 O ATOM 0 H GLY A 43 -7.765 -1.769 -13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.242 0.381 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.784 0.280 -14.092 1.00 0.00 H new ATOM 556 N VAL A 44 -9.793 -1.653 -11.529 1.00 0.00 N ATOM 557 CA VAL A 44 -10.427 -1.957 -10.262 1.00 0.00 C ATOM 558 C VAL A 44 -9.449 -2.700 -9.364 1.00 0.00 C ATOM 559 O VAL A 44 -8.814 -3.660 -9.794 1.00 0.00 O ATOM 560 CB VAL A 44 -11.678 -2.795 -10.509 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.796 -3.109 -11.998 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.582 -4.098 -9.720 1.00 0.00 C ATOM 0 H VAL A 44 -9.325 -2.447 -11.966 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.718 -1.032 -9.764 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.557 -2.238 -10.185 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.690 -3.708 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.866 -2.179 -12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.917 -3.665 -12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.476 -4.697 -9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.702 -4.655 -10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.499 -3.874 -8.656 1.00 0.00 H new ATOM 572 N LEU A 45 -9.329 -2.254 -8.111 1.00 0.00 N ATOM 573 CA LEU A 45 -8.431 -2.877 -7.159 1.00 0.00 C ATOM 574 C LEU A 45 -9.147 -3.082 -5.831 1.00 0.00 C ATOM 575 O LEU A 45 -10.177 -2.462 -5.577 1.00 0.00 O ATOM 576 CB LEU A 45 -7.195 -2.001 -6.978 1.00 0.00 C ATOM 577 CG LEU A 45 -7.520 -0.854 -6.025 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.247 -1.292 -4.589 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.649 0.352 -6.365 1.00 0.00 C ATOM 0 H LEU A 45 -9.849 -1.459 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.117 -3.851 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.370 -2.594 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.871 -1.607 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.571 -0.583 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.479 -0.473 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.870 -2.153 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.197 -1.564 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.881 1.172 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.598 0.082 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.845 0.665 -7.390 1.00 0.00 H new ATOM 591 N ALA A 46 -8.596 -3.954 -4.983 1.00 0.00 N ATOM 592 CA ALA A 46 -9.183 -4.235 -3.689 1.00 0.00 C ATOM 593 C ALA A 46 -8.126 -4.100 -2.603 1.00 0.00 C ATOM 594 O ALA A 46 -6.961 -4.426 -2.824 1.00 0.00 O ATOM 595 CB ALA A 46 -9.775 -5.642 -3.695 1.00 0.00 C ATOM 0 H ALA A 46 -7.741 -4.475 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.980 -3.520 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.217 -5.855 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.543 -5.710 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.988 -6.367 -3.902 1.00 0.00 H new ATOM 601 N CYS A 47 -8.533 -3.617 -1.427 1.00 0.00 N ATOM 602 CA CYS A 47 -7.622 -3.441 -0.314 1.00 0.00 C ATOM 603 C CYS A 47 -7.928 -4.465 0.769 1.00 0.00 C ATOM 604 O CYS A 47 -9.030 -5.006 0.821 1.00 0.00 O ATOM 605 CB CYS A 47 -7.753 -2.021 0.230 1.00 0.00 C ATOM 606 SG CYS A 47 -6.334 -0.959 -0.135 1.00 0.00 S ATOM 0 H CYS A 47 -9.495 -3.342 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.596 -3.593 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.651 -1.565 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.890 -2.068 1.310 1.00 0.00 H new ATOM 611 N ASN A 48 -6.949 -4.731 1.637 1.00 0.00 N ATOM 612 CA ASN A 48 -7.121 -5.687 2.712 1.00 0.00 C ATOM 613 C ASN A 48 -6.918 -4.999 4.055 1.00 0.00 C ATOM 614 O ASN A 48 -5.839 -4.481 4.333 1.00 0.00 O ATOM 615 CB ASN A 48 -6.128 -6.832 2.536 1.00 0.00 C ATOM 616 CG ASN A 48 -4.827 -6.540 3.270 1.00 0.00 C ATOM 617 OD1 ASN A 48 -4.136 -5.575 2.953 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.494 -7.378 4.255 1.00 0.00 N ATOM 0 H ASN A 48 -6.029 -4.291 1.609 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.133 -6.092 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.563 -7.757 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.926 -6.984 1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.633 -7.230 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.101 -8.166 4.481 1.00 0.00 H new ATOM 625 N PRO A 49 -7.961 -4.996 4.889 1.00 0.00 N ATOM 626 CA PRO A 49 -7.952 -4.394 6.204 1.00 0.00 C ATOM 627 C PRO A 49 -7.109 -5.241 7.148 1.00 0.00 C ATOM 628 O PRO A 49 -6.992 -4.927 8.330 1.00 0.00 O ATOM 629 CB PRO A 49 -9.415 -4.382 6.639 1.00 0.00 C ATOM 630 CG PRO A 49 -9.991 -5.604 5.925 1.00 0.00 C ATOM 631 CD PRO A 49 -9.244 -5.597 4.593 1.00 0.00 C ATOM 0 HA PRO A 49 -7.525 -3.391 6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.516 -4.461 7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.919 -3.463 6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.812 -6.522 6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.069 -5.521 5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.126 -6.607 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.785 -5.024 3.840 1.00 0.00 H new ATOM 639 N ALA A 50 -6.523 -6.319 6.622 1.00 0.00 N ATOM 640 CA ALA A 50 -5.698 -7.206 7.418 1.00 0.00 C ATOM 641 C ALA A 50 -4.280 -6.659 7.495 1.00 0.00 C ATOM 642 O ALA A 50 -3.523 -7.018 8.395 1.00 0.00 O ATOM 643 CB ALA A 50 -5.708 -8.600 6.799 1.00 0.00 C ATOM 0 H ALA A 50 -6.610 -6.592 5.643 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.097 -7.270 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.088 -9.268 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.730 -8.979 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.314 -8.550 5.784 1.00 0.00 H new ATOM 649 N ASP A 51 -3.920 -5.790 6.549 1.00 0.00 N ATOM 650 CA ASP A 51 -2.597 -5.201 6.514 1.00 0.00 C ATOM 651 C ASP A 51 -2.709 -3.689 6.379 1.00 0.00 C ATOM 652 O ASP A 51 -1.838 -3.050 5.793 1.00 0.00 O ATOM 653 CB ASP A 51 -1.809 -5.791 5.348 1.00 0.00 C ATOM 654 CG ASP A 51 -1.457 -7.248 5.612 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.674 -7.685 6.763 1.00 0.00 O ATOM 656 OD2 ASP A 51 -0.978 -7.898 4.657 1.00 0.00 O ATOM 0 H ASP A 51 -4.536 -5.483 5.797 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.070 -5.425 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.395 -5.715 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.897 -5.215 5.192 1.00 0.00 H new ATOM 661 N PHE A 52 -3.786 -3.117 6.924 1.00 0.00 N ATOM 662 CA PHE A 52 -4.003 -1.686 6.860 1.00 0.00 C ATOM 663 C PHE A 52 -3.477 -1.027 8.127 1.00 0.00 C ATOM 664 O PHE A 52 -3.957 -1.310 9.222 1.00 0.00 O ATOM 665 CB PHE A 52 -5.493 -1.406 6.683 1.00 0.00 C ATOM 666 CG PHE A 52 -6.154 -0.853 7.923 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.745 0.381 8.443 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.173 -1.575 8.555 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.356 0.893 9.593 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.784 -1.063 9.706 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.376 0.171 10.225 1.00 0.00 C ATOM 0 H PHE A 52 -4.518 -3.632 7.414 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.465 -1.270 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.627 -0.699 5.864 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.996 -2.329 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.958 0.938 7.956 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.488 -2.527 8.155 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.041 1.845 9.993 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.570 -1.620 10.193 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.848 0.566 11.113 1.00 0.00 H new ATOM 681 N SER A 53 -2.486 -0.145 7.976 1.00 0.00 N ATOM 682 CA SER A 53 -1.902 0.549 9.106 1.00 0.00 C ATOM 683 C SER A 53 -2.207 2.038 9.012 1.00 0.00 C ATOM 684 O SER A 53 -2.813 2.490 8.043 1.00 0.00 O ATOM 685 CB SER A 53 -0.396 0.306 9.128 1.00 0.00 C ATOM 686 OG SER A 53 0.155 0.880 10.292 1.00 0.00 O ATOM 0 H SER A 53 -2.076 0.100 7.075 1.00 0.00 H new ATOM 0 HA SER A 53 -2.332 0.169 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.189 -0.764 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.066 0.740 8.241 1.00 0.00 H new ATOM 0 HG SER A 53 1.122 0.723 10.308 1.00 0.00 H new ATOM 692 N SER A 54 -1.783 2.800 10.022 1.00 0.00 N ATOM 693 CA SER A 54 -2.011 4.231 10.047 1.00 0.00 C ATOM 694 C SER A 54 -0.851 4.927 10.745 1.00 0.00 C ATOM 695 O SER A 54 -0.158 4.319 11.558 1.00 0.00 O ATOM 696 CB SER A 54 -3.327 4.524 10.761 1.00 0.00 C ATOM 697 OG SER A 54 -3.094 4.633 12.148 1.00 0.00 O ATOM 0 H SER A 54 -1.279 2.441 10.832 1.00 0.00 H new ATOM 0 HA SER A 54 -2.075 4.610 9.027 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.762 5.448 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.046 3.729 10.563 1.00 0.00 H new ATOM 0 HG SER A 54 -3.938 4.823 12.608 1.00 0.00 H new ATOM 703 N VAL A 55 -0.642 6.206 10.427 1.00 0.00 N ATOM 704 CA VAL A 55 0.429 6.978 11.024 1.00 0.00 C ATOM 705 C VAL A 55 0.229 8.456 10.722 1.00 0.00 C ATOM 706 O VAL A 55 -0.520 8.810 9.815 1.00 0.00 O ATOM 707 CB VAL A 55 1.770 6.491 10.481 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.722 6.466 8.956 1.00 0.00 C ATOM 709 CG2 VAL A 55 2.877 7.436 10.940 1.00 0.00 C ATOM 0 H VAL A 55 -1.208 6.724 9.755 1.00 0.00 H new ATOM 0 HA VAL A 55 0.420 6.844 12.106 1.00 0.00 H new ATOM 0 HB VAL A 55 1.971 5.487 10.854 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.679 6.118 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.931 5.792 8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.522 7.470 8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.835 7.089 10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.676 8.440 10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.911 7.455 12.029 1.00 0.00 H new ATOM 719 N THR A 56 0.903 9.321 11.485 1.00 0.00 N ATOM 720 CA THR A 56 0.794 10.752 11.290 1.00 0.00 C ATOM 721 C THR A 56 2.180 11.365 11.157 1.00 0.00 C ATOM 722 O THR A 56 3.049 11.130 11.994 1.00 0.00 O ATOM 723 CB THR A 56 0.042 11.368 12.467 1.00 0.00 C ATOM 724 OG1 THR A 56 -1.131 10.626 12.715 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.329 12.811 12.135 1.00 0.00 C ATOM 0 H THR A 56 1.528 9.045 12.242 1.00 0.00 H new ATOM 0 HA THR A 56 0.241 10.955 10.373 1.00 0.00 H new ATOM 0 HB THR A 56 0.677 11.351 13.353 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.613 11.020 13.472 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.866 13.251 12.975 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.578 13.385 11.943 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.964 12.829 11.249 1.00 0.00 H new ATOM 733 N ALA A 57 2.386 12.153 10.099 1.00 0.00 N ATOM 734 CA ALA A 57 3.663 12.794 9.859 1.00 0.00 C ATOM 735 C ALA A 57 3.999 13.722 11.018 1.00 0.00 C ATOM 736 O ALA A 57 3.104 14.239 11.682 1.00 0.00 O ATOM 737 CB ALA A 57 3.604 13.569 8.546 1.00 0.00 C ATOM 0 H ALA A 57 1.675 12.358 9.397 1.00 0.00 H new ATOM 0 HA ALA A 57 4.445 12.039 9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.564 14.052 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.383 12.883 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.823 14.327 8.606 1.00 0.00 H new ATOM 743 N ASP A 58 5.295 13.931 11.261 1.00 0.00 N ATOM 744 CA ASP A 58 5.742 14.793 12.338 1.00 0.00 C ATOM 745 C ASP A 58 5.985 16.198 11.805 1.00 0.00 C ATOM 746 O ASP A 58 5.638 16.500 10.666 1.00 0.00 O ATOM 747 CB ASP A 58 7.015 14.219 12.952 1.00 0.00 C ATOM 748 CG ASP A 58 8.146 14.192 11.933 1.00 0.00 C ATOM 749 OD1 ASP A 58 7.974 14.838 10.877 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.161 13.526 12.230 1.00 0.00 O ATOM 0 H ASP A 58 6.050 13.510 10.720 1.00 0.00 H new ATOM 0 HA ASP A 58 4.975 14.846 13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.310 14.818 13.813 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.824 13.210 13.317 1.00 0.00 H new ATOM 755 N ALA A 59 6.581 17.057 12.635 1.00 0.00 N ATOM 756 CA ALA A 59 6.865 18.423 12.245 1.00 0.00 C ATOM 757 C ALA A 59 7.811 18.433 11.052 1.00 0.00 C ATOM 758 O ALA A 59 7.775 19.352 10.236 1.00 0.00 O ATOM 759 CB ALA A 59 7.476 19.172 13.426 1.00 0.00 C ATOM 0 H ALA A 59 6.874 16.821 13.583 1.00 0.00 H new ATOM 0 HA ALA A 59 5.940 18.922 11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.690 20.200 13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.774 19.171 14.260 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.401 18.681 13.729 1.00 0.00 H new ATOM 765 N ASN A 60 8.660 17.407 10.952 1.00 0.00 N ATOM 766 CA ASN A 60 9.608 17.305 9.861 1.00 0.00 C ATOM 767 C ASN A 60 8.893 16.864 8.592 1.00 0.00 C ATOM 768 O ASN A 60 9.486 16.848 7.516 1.00 0.00 O ATOM 769 CB ASN A 60 10.706 16.314 10.235 1.00 0.00 C ATOM 770 CG ASN A 60 12.070 16.820 9.788 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.159 17.683 8.918 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.135 16.281 10.387 1.00 0.00 N ATOM 0 H ASN A 60 8.703 16.637 11.620 1.00 0.00 H new ATOM 0 HA ASN A 60 10.061 18.279 9.677 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.708 16.157 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.503 15.348 9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.074 16.584 10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.010 15.567 11.104 1.00 0.00 H new ATOM 779 N GLY A 61 7.613 16.504 8.719 1.00 0.00 N ATOM 780 CA GLY A 61 6.829 16.067 7.582 1.00 0.00 C ATOM 781 C GLY A 61 7.175 14.628 7.225 1.00 0.00 C ATOM 782 O GLY A 61 6.740 14.119 6.195 1.00 0.00 O ATOM 0 H GLY A 61 7.105 16.510 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.766 16.147 7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.020 16.717 6.728 1.00 0.00 H new ATOM 786 N SER A 62 7.962 13.972 8.082 1.00 0.00 N ATOM 787 CA SER A 62 8.361 12.598 7.853 1.00 0.00 C ATOM 788 C SER A 62 7.480 11.662 8.668 1.00 0.00 C ATOM 789 O SER A 62 7.154 11.955 9.816 1.00 0.00 O ATOM 790 CB SER A 62 9.829 12.426 8.232 1.00 0.00 C ATOM 791 OG SER A 62 9.991 12.681 9.609 1.00 0.00 O ATOM 0 H SER A 62 8.332 14.380 8.941 1.00 0.00 H new ATOM 0 HA SER A 62 8.240 12.351 6.798 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.160 11.415 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.449 13.108 7.649 1.00 0.00 H new ATOM 0 HG SER A 62 10.933 12.569 9.854 1.00 0.00 H new ATOM 797 N ALA A 63 7.095 10.531 8.071 1.00 0.00 N ATOM 798 CA ALA A 63 6.256 9.559 8.743 1.00 0.00 C ATOM 799 C ALA A 63 6.976 8.221 8.818 1.00 0.00 C ATOM 800 O ALA A 63 7.860 7.943 8.010 1.00 0.00 O ATOM 801 CB ALA A 63 4.936 9.422 7.989 1.00 0.00 C ATOM 0 H ALA A 63 7.357 10.273 7.119 1.00 0.00 H new ATOM 0 HA ALA A 63 6.046 9.893 9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.303 8.691 8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.429 10.386 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.132 9.090 6.969 1.00 0.00 H new ATOM 807 N SER A 64 6.596 7.390 9.792 1.00 0.00 N ATOM 808 CA SER A 64 7.206 6.088 9.965 1.00 0.00 C ATOM 809 C SER A 64 6.131 5.047 10.247 1.00 0.00 C ATOM 810 O SER A 64 5.380 5.173 11.212 1.00 0.00 O ATOM 811 CB SER A 64 8.215 6.148 11.109 1.00 0.00 C ATOM 812 OG SER A 64 7.659 5.546 12.257 1.00 0.00 O ATOM 0 H SER A 64 5.865 7.605 10.470 1.00 0.00 H new ATOM 0 HA SER A 64 7.728 5.803 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.134 5.635 10.825 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.480 7.184 11.321 1.00 0.00 H new ATOM 0 HG SER A 64 8.306 5.583 12.992 1.00 0.00 H new ATOM 818 N THR A 65 6.060 4.016 9.403 1.00 0.00 N ATOM 819 CA THR A 65 5.079 2.962 9.570 1.00 0.00 C ATOM 820 C THR A 65 5.538 1.707 8.843 1.00 0.00 C ATOM 821 O THR A 65 6.290 1.787 7.874 1.00 0.00 O ATOM 822 CB THR A 65 3.730 3.434 9.035 1.00 0.00 C ATOM 823 OG1 THR A 65 2.783 3.430 10.079 1.00 0.00 O ATOM 824 CG2 THR A 65 3.267 2.496 7.924 1.00 0.00 C ATOM 0 H THR A 65 6.675 3.896 8.598 1.00 0.00 H new ATOM 0 HA THR A 65 4.973 2.725 10.629 1.00 0.00 H new ATOM 0 HB THR A 65 3.830 4.445 8.639 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.906 3.689 9.726 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.303 2.833 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.999 2.499 7.116 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.167 1.485 8.319 1.00 0.00 H new ATOM 832 N SER A 66 5.082 0.543 9.313 1.00 0.00 N ATOM 833 CA SER A 66 5.446 -0.721 8.705 1.00 0.00 C ATOM 834 C SER A 66 4.214 -1.375 8.096 1.00 0.00 C ATOM 835 O SER A 66 3.180 -1.487 8.751 1.00 0.00 O ATOM 836 CB SER A 66 6.075 -1.628 9.759 1.00 0.00 C ATOM 837 OG SER A 66 6.889 -0.859 10.616 1.00 0.00 O ATOM 0 H SER A 66 4.458 0.459 10.116 1.00 0.00 H new ATOM 0 HA SER A 66 6.172 -0.551 7.910 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.297 -2.130 10.333 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.668 -2.406 9.278 1.00 0.00 H new ATOM 0 HG SER A 66 7.292 -1.441 11.294 1.00 0.00 H new ATOM 843 N LEU A 67 4.327 -1.808 6.838 1.00 0.00 N ATOM 844 CA LEU A 67 3.226 -2.449 6.148 1.00 0.00 C ATOM 845 C LEU A 67 3.503 -3.938 6.003 1.00 0.00 C ATOM 846 O LEU A 67 4.658 -4.358 5.989 1.00 0.00 O ATOM 847 CB LEU A 67 3.036 -1.799 4.780 1.00 0.00 C ATOM 848 CG LEU A 67 1.546 -1.687 4.473 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.032 -3.026 3.952 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.791 -1.311 5.744 1.00 0.00 C ATOM 0 H LEU A 67 5.178 -1.722 6.282 1.00 0.00 H new ATOM 0 HA LEU A 67 2.310 -2.325 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.496 -0.811 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.533 -2.391 4.012 1.00 0.00 H new ATOM 0 HG LEU A 67 1.388 -0.918 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.033 -2.947 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.571 -3.294 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.190 -3.795 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.274 -1.231 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.949 -2.079 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.158 -0.354 6.115 1.00 0.00 H new ATOM 862 N THR A 68 2.440 -4.738 5.893 1.00 0.00 N ATOM 863 CA THR A 68 2.579 -6.173 5.749 1.00 0.00 C ATOM 864 C THR A 68 2.089 -6.606 4.375 1.00 0.00 C ATOM 865 O THR A 68 1.089 -6.092 3.878 1.00 0.00 O ATOM 866 CB THR A 68 1.787 -6.873 6.850 1.00 0.00 C ATOM 867 OG1 THR A 68 1.044 -7.934 6.293 1.00 0.00 O ATOM 868 CG2 THR A 68 0.835 -5.876 7.505 1.00 0.00 C ATOM 0 H THR A 68 1.475 -4.407 5.902 1.00 0.00 H new ATOM 0 HA THR A 68 3.629 -6.450 5.841 1.00 0.00 H new ATOM 0 HB THR A 68 2.475 -7.265 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.653 -8.649 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.269 -6.376 8.291 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.408 -5.055 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.147 -5.484 6.756 1.00 0.00 H new ATOM 876 N VAL A 69 2.798 -7.556 3.760 1.00 0.00 N ATOM 877 CA VAL A 69 2.435 -8.054 2.449 1.00 0.00 C ATOM 878 C VAL A 69 1.925 -9.483 2.564 1.00 0.00 C ATOM 879 O VAL A 69 2.573 -10.328 3.177 1.00 0.00 O ATOM 880 CB VAL A 69 3.648 -7.985 1.525 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.902 -7.713 2.351 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.802 -9.312 0.789 1.00 0.00 C ATOM 0 H VAL A 69 3.629 -7.992 4.159 1.00 0.00 H new ATOM 0 HA VAL A 69 1.640 -7.438 2.029 1.00 0.00 H new ATOM 0 HB VAL A 69 3.508 -7.182 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.768 -7.664 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.792 -6.765 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.042 -8.516 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.668 -9.264 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.942 -10.115 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.906 -9.507 0.199 1.00 0.00 H new ATOM 892 N ARG A 70 0.759 -9.752 1.971 1.00 0.00 N ATOM 893 CA ARG A 70 0.168 -11.074 2.010 1.00 0.00 C ATOM 894 C ARG A 70 0.135 -11.666 0.608 1.00 0.00 C ATOM 895 O ARG A 70 0.306 -10.948 -0.375 1.00 0.00 O ATOM 896 CB ARG A 70 -1.239 -10.984 2.593 1.00 0.00 C ATOM 897 CG ARG A 70 -1.196 -11.321 4.081 1.00 0.00 C ATOM 898 CD ARG A 70 0.057 -10.713 4.704 1.00 0.00 C ATOM 899 NE ARG A 70 -0.131 -10.473 6.135 1.00 0.00 N ATOM 900 CZ ARG A 70 0.123 -11.403 7.066 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.569 -12.613 6.701 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.071 -11.124 8.362 1.00 0.00 N ATOM 0 H ARG A 70 0.210 -9.062 1.458 1.00 0.00 H new ATOM 0 HA ARG A 70 0.768 -11.727 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.641 -9.981 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.905 -11.673 2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.086 -10.935 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.196 -12.402 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.904 -11.382 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.298 -9.775 4.203 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.470 -9.559 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.715 -12.826 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.762 -13.321 7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.412 -10.204 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.122 -11.832 9.071 1.00 0.00 H new ATOM 916 N ARG A 71 -0.087 -12.979 0.518 1.00 0.00 N ATOM 917 CA ARG A 71 -0.141 -13.660 -0.760 1.00 0.00 C ATOM 918 C ARG A 71 -1.561 -13.617 -1.307 1.00 0.00 C ATOM 919 O ARG A 71 -1.766 -13.703 -2.516 1.00 0.00 O ATOM 920 CB ARG A 71 0.328 -15.101 -0.588 1.00 0.00 C ATOM 921 CG ARG A 71 -0.591 -15.822 0.393 1.00 0.00 C ATOM 922 CD ARG A 71 -0.223 -17.302 0.442 1.00 0.00 C ATOM 923 NE ARG A 71 -1.403 -18.129 0.694 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.380 -19.467 0.624 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.242 -20.103 0.314 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.496 -20.170 0.865 1.00 0.00 N ATOM 0 H ARG A 71 -0.232 -13.587 1.324 1.00 0.00 H new ATOM 0 HA ARG A 71 0.517 -13.160 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.324 -15.613 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.354 -15.119 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.499 -15.381 1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.631 -15.705 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.237 -17.597 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.517 -17.470 1.224 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.281 -17.668 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.607 -19.569 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.225 -21.121 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.362 -19.686 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.479 -21.188 0.812 1.00 0.00 H new ATOM 940 N SER A 72 -2.543 -13.483 -0.413 1.00 0.00 N ATOM 941 CA SER A 72 -3.936 -13.428 -0.811 1.00 0.00 C ATOM 942 C SER A 72 -4.773 -12.842 0.317 1.00 0.00 C ATOM 943 O SER A 72 -4.460 -13.035 1.490 1.00 0.00 O ATOM 944 CB SER A 72 -4.417 -14.832 -1.168 1.00 0.00 C ATOM 945 OG SER A 72 -5.228 -15.329 -0.127 1.00 0.00 O ATOM 0 H SER A 72 -2.390 -13.411 0.593 1.00 0.00 H new ATOM 0 HA SER A 72 -4.043 -12.787 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.979 -14.809 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.564 -15.492 -1.325 1.00 0.00 H new ATOM 0 HG SER A 72 -5.539 -16.230 -0.356 1.00 0.00 H new ATOM 951 N PHE A 73 -5.840 -12.124 -0.040 1.00 0.00 N ATOM 952 CA PHE A 73 -6.714 -11.516 0.942 1.00 0.00 C ATOM 953 C PHE A 73 -7.884 -10.837 0.244 1.00 0.00 C ATOM 954 O PHE A 73 -7.784 -10.471 -0.925 1.00 0.00 O ATOM 955 CB PHE A 73 -5.922 -10.510 1.773 1.00 0.00 C ATOM 956 CG PHE A 73 -5.066 -9.584 0.943 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.663 -8.566 0.190 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.675 -9.743 0.927 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.869 -7.706 -0.578 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.881 -8.883 0.159 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.478 -7.864 -0.593 1.00 0.00 C ATOM 0 H PHE A 73 -6.113 -11.954 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.110 -12.284 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.616 -9.915 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.285 -11.051 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.736 -8.444 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.215 -10.529 1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.330 -6.921 -1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.808 -9.006 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.865 -7.200 -1.185 1.00 0.00 H new ATOM 971 N GLU A 74 -8.997 -10.670 0.963 1.00 0.00 N ATOM 972 CA GLU A 74 -10.175 -10.036 0.407 1.00 0.00 C ATOM 973 C GLU A 74 -9.820 -8.655 -0.125 1.00 0.00 C ATOM 974 O GLU A 74 -9.342 -7.803 0.621 1.00 0.00 O ATOM 975 CB GLU A 74 -11.254 -9.940 1.482 1.00 0.00 C ATOM 976 CG GLU A 74 -10.618 -9.529 2.807 1.00 0.00 C ATOM 977 CD GLU A 74 -10.451 -10.731 3.725 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.184 -11.826 3.184 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.592 -10.533 4.951 1.00 0.00 O ATOM 0 H GLU A 74 -9.098 -10.969 1.933 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.556 -10.633 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.011 -9.212 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.760 -10.899 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.647 -9.070 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.238 -8.777 3.295 1.00 0.00 H new ATOM 986 N GLY A 75 -10.055 -8.434 -1.420 1.00 0.00 N ATOM 987 CA GLY A 75 -9.758 -7.158 -2.040 1.00 0.00 C ATOM 988 C GLY A 75 -10.891 -6.172 -1.787 1.00 0.00 C ATOM 989 O GLY A 75 -11.892 -6.176 -2.501 1.00 0.00 O ATOM 0 H GLY A 75 -10.451 -9.128 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.825 -6.760 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.615 -7.291 -3.112 1.00 0.00 H new ATOM 993 N PHE A 76 -10.732 -5.326 -0.767 1.00 0.00 N ATOM 994 CA PHE A 76 -11.740 -4.343 -0.427 1.00 0.00 C ATOM 995 C PHE A 76 -11.565 -3.103 -1.294 1.00 0.00 C ATOM 996 O PHE A 76 -10.710 -2.265 -1.017 1.00 0.00 O ATOM 997 CB PHE A 76 -11.625 -3.989 1.053 1.00 0.00 C ATOM 998 CG PHE A 76 -12.765 -4.518 1.890 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.058 -4.015 1.709 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.528 -5.514 2.844 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.115 -4.508 2.483 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.585 -6.007 3.619 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.879 -5.503 3.438 1.00 0.00 C ATOM 0 H PHE A 76 -9.908 -5.309 -0.165 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.732 -4.754 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.686 -4.384 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.581 -2.905 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.240 -3.247 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.530 -5.902 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.113 -4.120 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.402 -6.775 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.695 -5.882 4.036 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.379 -2.989 -2.346 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.311 -1.856 -3.246 1.00 0.00 C ATOM 1015 C LEU A 77 -12.512 -0.564 -2.466 1.00 0.00 C ATOM 1016 O LEU A 77 -13.468 -0.438 -1.705 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.376 -2.003 -4.330 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.808 -0.620 -4.810 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.625 0.082 -5.471 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.944 -0.764 -5.818 1.00 0.00 C ATOM 0 H LEU A 77 -13.093 -3.676 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.330 -1.823 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.983 -2.583 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.235 -2.549 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.150 -0.030 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.933 1.070 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.814 0.185 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.282 -0.507 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.253 0.223 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.603 -1.354 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.789 -1.265 -5.345 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.606 0.398 -2.658 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.689 1.672 -1.973 1.00 0.00 C ATOM 1034 C PHE A 78 -13.104 2.223 -2.078 1.00 0.00 C ATOM 1035 O PHE A 78 -13.592 2.868 -1.152 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.683 2.644 -2.584 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.884 2.867 -4.064 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -11.951 3.654 -4.514 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.005 2.286 -4.985 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.138 3.860 -5.886 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.193 2.492 -6.357 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.259 3.279 -6.808 1.00 0.00 C ATOM 0 H PHE A 78 -10.807 0.310 -3.286 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.450 1.538 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.755 3.601 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.675 2.265 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.629 4.102 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.182 1.679 -4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.961 4.467 -6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.515 2.043 -7.068 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.403 3.438 -7.866 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.764 1.968 -3.210 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.117 2.439 -3.429 1.00 0.00 C ATOM 1054 C ASP A 79 -16.030 1.912 -2.332 1.00 0.00 C ATOM 1055 O ASP A 79 -17.135 2.416 -2.146 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.598 1.978 -4.802 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.408 3.069 -5.488 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.258 4.237 -5.068 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.162 2.715 -6.420 1.00 0.00 O ATOM 0 H ASP A 79 -13.374 1.435 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.137 3.528 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.742 1.712 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.206 1.080 -4.696 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.567 0.893 -1.603 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.347 0.308 -0.531 1.00 0.00 C ATOM 1066 C GLY A 80 -17.058 -0.946 -1.021 1.00 0.00 C ATOM 1067 O GLY A 80 -18.118 -1.301 -0.510 1.00 0.00 O ATOM 0 H GLY A 80 -14.653 0.462 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.697 0.062 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.078 1.030 -0.167 1.00 0.00 H new ATOM 1071 N THR A 81 -16.472 -1.617 -2.015 1.00 0.00 N ATOM 1072 CA THR A 81 -17.054 -2.825 -2.564 1.00 0.00 C ATOM 1073 C THR A 81 -16.109 -3.999 -2.352 1.00 0.00 C ATOM 1074 O THR A 81 -14.894 -3.820 -2.304 1.00 0.00 O ATOM 1075 CB THR A 81 -17.338 -2.622 -4.050 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.595 -2.002 -4.207 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.346 -3.974 -4.756 1.00 0.00 C ATOM 0 H THR A 81 -15.594 -1.337 -2.451 1.00 0.00 H new ATOM 0 HA THR A 81 -17.992 -3.044 -2.054 1.00 0.00 H new ATOM 0 HB THR A 81 -16.564 -1.990 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.778 -1.870 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.549 -3.829 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.375 -4.454 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.120 -4.607 -4.322 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.671 -5.203 -2.225 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.879 -6.399 -2.018 1.00 0.00 C ATOM 1087 C ARG A 82 -15.593 -7.066 -3.356 1.00 0.00 C ATOM 1088 O ARG A 82 -16.427 -7.805 -3.874 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.629 -7.350 -1.089 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.160 -7.133 0.347 1.00 0.00 C ATOM 1091 CD ARG A 82 -17.369 -7.110 1.278 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.397 -8.299 2.131 1.00 0.00 N ATOM 1093 CZ ARG A 82 -18.297 -8.469 3.109 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -19.223 -7.528 3.339 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -18.271 -9.581 3.857 1.00 0.00 N ATOM 0 H ARG A 82 -17.677 -5.367 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.928 -6.135 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.703 -7.176 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.452 -8.383 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.476 -7.928 0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.610 -6.195 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.338 -6.214 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.285 -7.059 0.689 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.702 -9.029 1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.243 -6.682 2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.908 -7.658 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.566 -10.297 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.956 -9.711 4.602 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.410 -6.804 -3.916 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.025 -7.382 -5.188 1.00 0.00 C ATOM 1111 C TRP A 83 -13.927 -8.896 -5.060 1.00 0.00 C ATOM 1112 O TRP A 83 -14.574 -9.628 -5.805 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.691 -6.790 -5.632 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.698 -6.175 -6.994 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.765 -4.851 -7.253 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.637 -6.833 -8.297 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.750 -4.645 -8.616 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.672 -5.836 -9.309 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -12.555 -8.169 -8.726 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.629 -6.146 -10.671 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -12.512 -8.492 -10.090 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.549 -7.486 -11.063 1.00 0.00 C ATOM 0 H TRP A 83 -13.707 -6.193 -3.501 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.779 -7.149 -5.940 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.387 -6.033 -4.909 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.935 -7.575 -5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.822 -4.073 -6.506 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.791 -3.726 -9.058 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -12.525 -8.961 -7.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.657 -5.360 -11.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -12.450 -9.527 -10.393 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.516 -7.744 -12.111 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.114 -9.365 -4.110 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.939 -10.787 -3.893 1.00 0.00 C ATOM 1135 C GLY A 84 -11.532 -11.075 -3.388 1.00 0.00 C ATOM 1136 O GLY A 84 -10.711 -10.167 -3.281 1.00 0.00 O ATOM 0 H GLY A 84 -12.570 -8.773 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.672 -11.144 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.117 -11.328 -4.822 1.00 0.00 H new ATOM 1140 N THR A 85 -11.255 -12.343 -3.076 1.00 0.00 N ATOM 1141 CA THR A 85 -9.951 -12.739 -2.585 1.00 0.00 C ATOM 1142 C THR A 85 -8.905 -12.542 -3.674 1.00 0.00 C ATOM 1143 O THR A 85 -8.932 -13.226 -4.695 1.00 0.00 O ATOM 1144 CB THR A 85 -9.998 -14.197 -2.138 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.320 -14.538 -1.787 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.085 -14.388 -0.929 1.00 0.00 C ATOM 0 H THR A 85 -11.924 -13.108 -3.158 1.00 0.00 H new ATOM 0 HA THR A 85 -9.677 -12.119 -1.731 1.00 0.00 H new ATOM 0 HB THR A 85 -9.661 -14.838 -2.953 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.351 -15.475 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.118 -15.429 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.063 -14.124 -1.200 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.422 -13.747 -0.114 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.982 -11.604 -3.453 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.934 -11.322 -4.413 1.00 0.00 C ATOM 1156 C VAL A 86 -5.730 -12.211 -4.137 1.00 0.00 C ATOM 1157 O VAL A 86 -5.514 -12.633 -3.003 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.548 -9.848 -4.326 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.132 -9.659 -4.861 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.522 -9.018 -5.158 1.00 0.00 C ATOM 0 H VAL A 86 -7.946 -11.029 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.293 -11.531 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.589 -9.523 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.857 -8.606 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.436 -10.252 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.089 -9.984 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.247 -7.965 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.482 -9.344 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.534 -9.152 -4.775 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.944 -12.496 -5.178 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.769 -13.333 -5.042 1.00 0.00 C ATOM 1172 C ASP A 87 -2.524 -12.532 -5.393 1.00 0.00 C ATOM 1173 O ASP A 87 -2.141 -12.455 -6.558 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.904 -14.550 -5.953 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.588 -15.700 -5.227 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.239 -15.414 -4.199 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.447 -16.842 -5.714 1.00 0.00 O ATOM 0 H ASP A 87 -5.108 -12.154 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.678 -13.676 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.478 -14.283 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.918 -14.865 -6.294 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.891 -11.935 -4.380 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.694 -11.144 -4.585 1.00 0.00 C ATOM 1184 C CYS A 88 0.335 -11.959 -5.357 1.00 0.00 C ATOM 1185 O CYS A 88 1.180 -11.397 -6.050 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.136 -10.708 -3.234 1.00 0.00 C ATOM 1187 SG CYS A 88 -1.079 -9.382 -2.442 1.00 0.00 S ATOM 0 H CYS A 88 -2.196 -11.990 -3.408 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.935 -10.254 -5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.111 -11.570 -2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.894 -10.378 -3.367 1.00 0.00 H new ATOM 1192 N THR A 89 0.263 -13.286 -5.235 1.00 0.00 N ATOM 1193 CA THR A 89 1.187 -14.165 -5.922 1.00 0.00 C ATOM 1194 C THR A 89 0.782 -14.304 -7.383 1.00 0.00 C ATOM 1195 O THR A 89 1.440 -15.007 -8.148 1.00 0.00 O ATOM 1196 CB THR A 89 1.201 -15.526 -5.233 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.119 -16.009 -5.120 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.812 -15.386 -3.842 1.00 0.00 C ATOM 0 H THR A 89 -0.431 -13.768 -4.663 1.00 0.00 H new ATOM 0 HA THR A 89 2.191 -13.742 -5.884 1.00 0.00 H new ATOM 0 HB THR A 89 1.795 -16.225 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.110 -16.884 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.822 -16.358 -3.349 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.832 -15.013 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.219 -14.687 -3.253 1.00 0.00 H new ATOM 1206 N THR A 90 -0.304 -13.632 -7.769 1.00 0.00 N ATOM 1207 CA THR A 90 -0.787 -13.686 -9.135 1.00 0.00 C ATOM 1208 C THR A 90 -0.735 -12.299 -9.758 1.00 0.00 C ATOM 1209 O THR A 90 -0.593 -12.165 -10.972 1.00 0.00 O ATOM 1210 CB THR A 90 -2.212 -14.232 -9.148 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.176 -15.636 -9.265 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.971 -13.642 -10.333 1.00 0.00 C ATOM 0 H THR A 90 -0.861 -13.045 -7.148 1.00 0.00 H new ATOM 0 HA THR A 90 -0.152 -14.349 -9.723 1.00 0.00 H new ATOM 0 HB THR A 90 -2.715 -13.958 -8.221 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.091 -15.987 -9.272 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.989 -14.031 -10.343 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.999 -12.556 -10.243 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.468 -13.917 -11.260 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.850 -11.264 -8.923 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.817 -9.894 -9.394 1.00 0.00 C ATOM 1222 C ALA A 91 0.223 -9.105 -8.611 1.00 0.00 C ATOM 1223 O ALA A 91 0.966 -9.674 -7.814 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.200 -9.269 -9.236 1.00 0.00 C ATOM 0 H ALA A 91 -0.967 -11.358 -7.914 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.542 -9.874 -10.449 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.176 -8.238 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.925 -9.837 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.489 -9.285 -8.185 1.00 0.00 H new ATOM 1230 N ALA A 92 0.276 -7.791 -8.842 1.00 0.00 N ATOM 1231 CA ALA A 92 1.225 -6.933 -8.161 1.00 0.00 C ATOM 1232 C ALA A 92 0.523 -6.173 -7.045 1.00 0.00 C ATOM 1233 O ALA A 92 -0.464 -5.481 -7.287 1.00 0.00 O ATOM 1234 CB ALA A 92 1.847 -5.967 -9.165 1.00 0.00 C ATOM 0 H ALA A 92 -0.333 -7.305 -9.500 1.00 0.00 H new ATOM 0 HA ALA A 92 2.017 -7.538 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.561 -5.321 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.361 -6.532 -9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.064 -5.357 -9.616 1.00 0.00 H new ATOM 1240 N CYS A 93 1.034 -6.303 -5.818 1.00 0.00 N ATOM 1241 CA CYS A 93 0.456 -5.630 -4.673 1.00 0.00 C ATOM 1242 C CYS A 93 1.333 -4.454 -4.269 1.00 0.00 C ATOM 1243 O CYS A 93 2.539 -4.467 -4.506 1.00 0.00 O ATOM 1244 CB CYS A 93 0.315 -6.620 -3.520 1.00 0.00 C ATOM 1245 SG CYS A 93 -1.008 -7.834 -3.750 1.00 0.00 S ATOM 0 H CYS A 93 1.851 -6.873 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.532 -5.249 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.260 -7.148 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.130 -6.066 -2.600 1.00 0.00 H new ATOM 1250 N GLN A 94 0.725 -3.434 -3.659 1.00 0.00 N ATOM 1251 CA GLN A 94 1.453 -2.258 -3.228 1.00 0.00 C ATOM 1252 C GLN A 94 0.870 -1.739 -1.922 1.00 0.00 C ATOM 1253 O GLN A 94 -0.336 -1.824 -1.701 1.00 0.00 O ATOM 1254 CB GLN A 94 1.379 -1.190 -4.316 1.00 0.00 C ATOM 1255 CG GLN A 94 0.300 -0.172 -3.957 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.244 0.505 -5.207 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.513 0.831 -6.119 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.562 0.717 -5.247 1.00 0.00 N ATOM 0 H GLN A 94 -0.274 -3.407 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 94 2.499 -2.514 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.344 -0.693 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.154 -1.651 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.511 -0.668 -3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.712 0.578 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.149 0.428 -4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.982 1.168 -6.060 1.00 0.00 H new ATOM 1267 N VAL A 95 1.730 -1.199 -1.055 1.00 0.00 N ATOM 1268 CA VAL A 95 1.298 -0.669 0.222 1.00 0.00 C ATOM 1269 C VAL A 95 1.367 0.851 0.199 1.00 0.00 C ATOM 1270 O VAL A 95 2.124 1.428 -0.578 1.00 0.00 O ATOM 1271 CB VAL A 95 2.181 -1.234 1.331 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.163 -0.288 2.528 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.651 -2.601 1.755 1.00 0.00 C ATOM 0 H VAL A 95 2.733 -1.121 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 95 0.266 -0.963 0.412 1.00 0.00 H new ATOM 0 HB VAL A 95 3.203 -1.337 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.794 -0.692 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.541 0.689 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.142 -0.184 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.281 -3.006 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.629 -2.498 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.664 -3.277 0.900 1.00 0.00 H new ATOM 1283 N GLY A 96 0.575 1.501 1.055 1.00 0.00 N ATOM 1284 CA GLY A 96 0.554 2.948 1.124 1.00 0.00 C ATOM 1285 C GLY A 96 -0.408 3.411 2.209 1.00 0.00 C ATOM 1286 O GLY A 96 -1.109 2.599 2.809 1.00 0.00 O ATOM 0 H GLY A 96 -0.058 1.039 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.556 3.324 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.253 3.360 0.161 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.439 4.722 2.461 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.313 5.286 3.471 1.00 0.00 C ATOM 1292 C LEU A 97 -2.128 6.424 2.871 1.00 0.00 C ATOM 1293 O LEU A 97 -1.624 7.185 2.049 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.476 5.782 4.647 1.00 0.00 C ATOM 1295 CG LEU A 97 0.553 6.792 4.148 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.632 7.963 5.123 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.919 6.119 4.049 1.00 0.00 C ATOM 0 H LEU A 97 0.137 5.408 1.973 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.002 4.521 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.119 6.242 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.026 4.943 5.129 1.00 0.00 H new ATOM 0 HG LEU A 97 0.256 7.158 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.367 8.684 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.344 8.444 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.929 7.598 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.655 6.840 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.216 5.753 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.863 5.283 3.352 1.00 0.00 H new ATOM 1309 N SER A 98 -3.392 6.537 3.286 1.00 0.00 N ATOM 1310 CA SER A 98 -4.267 7.580 2.790 1.00 0.00 C ATOM 1311 C SER A 98 -4.716 8.469 3.941 1.00 0.00 C ATOM 1312 O SER A 98 -4.781 8.023 5.085 1.00 0.00 O ATOM 1313 CB SER A 98 -5.470 6.946 2.097 1.00 0.00 C ATOM 1314 OG SER A 98 -6.255 6.264 3.049 1.00 0.00 O ATOM 0 H SER A 98 -3.825 5.913 3.966 1.00 0.00 H new ATOM 0 HA SER A 98 -3.731 8.197 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.065 7.714 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.135 6.255 1.324 1.00 0.00 H new ATOM 0 HG SER A 98 -6.792 6.910 3.553 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.026 9.731 3.637 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.466 10.675 4.645 1.00 0.00 C ATOM 1322 C ASP A 99 -6.913 11.069 4.385 1.00 0.00 C ATOM 1323 O ASP A 99 -7.606 10.415 3.608 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.559 11.902 4.622 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.141 12.992 3.733 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.389 12.684 2.547 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.327 14.112 4.256 1.00 0.00 O ATOM 0 H ASP A 99 -4.977 10.116 2.694 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.407 10.214 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.431 12.283 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.570 11.621 4.260 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.369 12.141 5.037 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.728 12.614 4.874 1.00 0.00 C ATOM 1334 C ALA A 100 -9.022 12.843 3.398 1.00 0.00 C ATOM 1335 O ALA A 100 -10.039 12.380 2.887 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.916 13.903 5.669 1.00 0.00 C ATOM 0 H ALA A 100 -6.807 12.694 5.684 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.425 11.865 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.939 14.260 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.722 13.711 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.222 14.660 5.304 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.127 13.560 2.715 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.294 13.847 1.304 1.00 0.00 C ATOM 1344 C ALA A 101 -7.983 12.603 0.484 1.00 0.00 C ATOM 1345 O ALA A 101 -8.477 12.453 -0.631 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.375 14.999 0.908 1.00 0.00 C ATOM 0 H ALA A 101 -7.279 13.950 3.126 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.326 14.138 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.500 15.216 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.629 15.884 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.339 14.721 1.102 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.161 11.709 1.039 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.792 10.487 0.353 1.00 0.00 C ATOM 1354 C GLY A 102 -5.429 10.643 -0.306 1.00 0.00 C ATOM 1355 O GLY A 102 -5.247 10.261 -1.460 1.00 0.00 O ATOM 0 H GLY A 102 -6.742 11.817 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.769 9.658 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.542 10.244 -0.400 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.469 11.207 0.430 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.130 11.409 -0.086 1.00 0.00 C ATOM 1361 C ASN A 103 -2.132 10.593 0.723 1.00 0.00 C ATOM 1362 O ASN A 103 -2.466 10.080 1.789 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.785 12.895 -0.031 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.310 13.527 1.250 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.196 14.378 1.206 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.763 13.108 2.393 1.00 0.00 N ATOM 0 H ASN A 103 -4.603 11.530 1.388 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.083 11.075 -1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.704 13.024 -0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.213 13.404 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.078 13.497 3.282 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.030 12.399 2.378 1.00 0.00 H new ATOM 1373 N GLY A 104 -0.903 10.475 0.215 1.00 0.00 N ATOM 1374 CA GLY A 104 0.132 9.722 0.895 1.00 0.00 C ATOM 1375 C GLY A 104 1.450 9.838 0.142 1.00 0.00 C ATOM 1376 O GLY A 104 1.565 10.625 -0.795 1.00 0.00 O ATOM 0 H GLY A 104 -0.608 10.895 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.253 10.094 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.161 8.675 0.971 1.00 0.00 H new ATOM 1380 N PRO A 105 2.445 9.051 0.555 1.00 0.00 N ATOM 1381 CA PRO A 105 3.764 9.023 -0.040 1.00 0.00 C ATOM 1382 C PRO A 105 3.696 8.344 -1.401 1.00 0.00 C ATOM 1383 O PRO A 105 2.830 7.505 -1.635 1.00 0.00 O ATOM 1384 CB PRO A 105 4.617 8.213 0.934 1.00 0.00 C ATOM 1385 CG PRO A 105 3.602 7.254 1.554 1.00 0.00 C ATOM 1386 CD PRO A 105 2.344 8.114 1.653 1.00 0.00 C ATOM 0 HA PRO A 105 4.178 10.019 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.418 7.679 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.086 8.848 1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.443 6.374 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.927 6.897 2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.443 7.506 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.294 8.632 2.611 1.00 0.00 H new ATOM 1394 N GLU A 106 4.613 8.710 -2.300 1.00 0.00 N ATOM 1395 CA GLU A 106 4.649 8.134 -3.629 1.00 0.00 C ATOM 1396 C GLU A 106 4.241 6.669 -3.572 1.00 0.00 C ATOM 1397 O GLU A 106 4.872 5.872 -2.881 1.00 0.00 O ATOM 1398 CB GLU A 106 6.054 8.282 -4.208 1.00 0.00 C ATOM 1399 CG GLU A 106 5.999 9.150 -5.461 1.00 0.00 C ATOM 1400 CD GLU A 106 6.910 8.595 -6.547 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.093 8.998 -6.555 1.00 0.00 O ATOM 1402 OE2 GLU A 106 6.406 7.779 -7.347 1.00 0.00 O ATOM 0 H GLU A 106 5.338 9.405 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 106 3.945 8.659 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.718 8.732 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.464 7.302 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.974 9.198 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.298 10.169 -5.216 1.00 0.00 H new ATOM 1409 N GLY A 107 3.181 6.314 -4.302 1.00 0.00 N ATOM 1410 CA GLY A 107 2.699 4.947 -4.328 1.00 0.00 C ATOM 1411 C GLY A 107 3.867 3.974 -4.248 1.00 0.00 C ATOM 1412 O GLY A 107 4.932 4.231 -4.805 1.00 0.00 O ATOM 0 H GLY A 107 2.645 6.961 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.018 4.778 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.132 4.771 -5.242 1.00 0.00 H new ATOM 1416 N VAL A 108 3.664 2.853 -3.552 1.00 0.00 N ATOM 1417 CA VAL A 108 4.697 1.848 -3.402 1.00 0.00 C ATOM 1418 C VAL A 108 4.275 0.567 -4.107 1.00 0.00 C ATOM 1419 O VAL A 108 3.417 -0.162 -3.613 1.00 0.00 O ATOM 1420 CB VAL A 108 4.946 1.593 -1.918 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.399 0.150 -1.719 1.00 0.00 C ATOM 1422 CG2 VAL A 108 6.030 2.541 -1.414 1.00 0.00 C ATOM 0 H VAL A 108 2.786 2.626 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 108 5.623 2.201 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 108 4.025 1.765 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.577 -0.033 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.625 -0.527 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.320 -0.023 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.208 2.359 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.951 2.370 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.706 3.572 -1.556 1.00 0.00 H new ATOM 1432 N ALA A 109 4.881 0.293 -5.264 1.00 0.00 N ATOM 1433 CA ALA A 109 4.565 -0.896 -6.030 1.00 0.00 C ATOM 1434 C ALA A 109 5.383 -2.072 -5.515 1.00 0.00 C ATOM 1435 O ALA A 109 6.597 -1.965 -5.357 1.00 0.00 O ATOM 1436 CB ALA A 109 4.854 -0.641 -7.506 1.00 0.00 C ATOM 0 H ALA A 109 5.595 0.887 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 109 3.508 -1.137 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.617 -1.535 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.244 0.191 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.909 -0.396 -7.633 1.00 0.00 H new ATOM 1442 N ILE A 110 4.714 -3.198 -5.254 1.00 0.00 N ATOM 1443 CA ILE A 110 5.379 -4.388 -4.761 1.00 0.00 C ATOM 1444 C ILE A 110 5.523 -5.401 -5.887 1.00 0.00 C ATOM 1445 O ILE A 110 4.862 -5.285 -6.917 1.00 0.00 O ATOM 1446 CB ILE A 110 4.576 -4.975 -3.603 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.983 -3.843 -2.769 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.493 -5.825 -2.729 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.177 -4.431 -1.614 1.00 0.00 C ATOM 0 H ILE A 110 3.707 -3.302 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 110 6.375 -4.131 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 110 3.771 -5.596 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.779 -3.205 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.344 -3.215 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.921 -6.245 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.916 -6.634 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.298 -5.205 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.753 -3.623 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.372 -5.050 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.829 -5.040 -0.988 1.00 0.00 H new ATOM 1461 N SER A 111 6.390 -6.397 -5.690 1.00 0.00 N ATOM 1462 CA SER A 111 6.614 -7.423 -6.688 1.00 0.00 C ATOM 1463 C SER A 111 6.904 -8.752 -6.006 1.00 0.00 C ATOM 1464 O SER A 111 7.852 -8.862 -5.233 1.00 0.00 O ATOM 1465 CB SER A 111 7.777 -7.012 -7.587 1.00 0.00 C ATOM 1466 OG SER A 111 7.516 -7.423 -8.910 1.00 0.00 O ATOM 0 H SER A 111 6.946 -6.507 -4.842 1.00 0.00 H new ATOM 0 HA SER A 111 5.721 -7.540 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.914 -5.931 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.703 -7.463 -7.231 1.00 0.00 H new ATOM 0 HG SER A 111 8.262 -7.158 -9.488 1.00 0.00 H new ATOM 1472 N PHE A 112 6.083 -9.765 -6.296 1.00 0.00 N ATOM 1473 CA PHE A 112 6.257 -11.079 -5.711 1.00 0.00 C ATOM 1474 C PHE A 112 7.155 -11.927 -6.601 1.00 0.00 C ATOM 1475 O PHE A 112 6.775 -12.274 -7.717 1.00 0.00 O ATOM 1476 CB PHE A 112 4.893 -11.740 -5.532 1.00 0.00 C ATOM 1477 CG PHE A 112 4.007 -11.032 -4.534 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.492 -9.765 -4.831 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.698 -11.645 -3.314 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.669 -9.110 -3.907 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.875 -10.990 -2.390 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.361 -9.723 -2.687 1.00 0.00 C ATOM 0 H PHE A 112 5.292 -9.691 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 112 6.732 -10.986 -4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.386 -11.775 -6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.037 -12.771 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.729 -9.293 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.094 -12.623 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.272 -8.132 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.637 -11.462 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.726 -9.218 -1.974 1.00 0.00 H new ATOM 1492 N ASN A 113 8.349 -12.259 -6.105 1.00 0.00 N ATOM 1493 CA ASN A 113 9.291 -13.063 -6.858 1.00 0.00 C ATOM 1494 C ASN A 113 10.685 -12.921 -6.264 1.00 0.00 C ATOM 1495 O ASN A 113 11.422 -13.900 -6.164 1.00 0.00 O ATOM 1496 CB ASN A 113 9.279 -12.623 -8.319 1.00 0.00 C ATOM 1497 CG ASN A 113 9.335 -11.106 -8.430 1.00 0.00 C ATOM 1498 OD1 ASN A 113 10.413 -10.518 -8.375 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.170 -10.473 -8.589 1.00 0.00 N ATOM 0 H ASN A 113 8.679 -11.978 -5.182 1.00 0.00 H new ATOM 0 HA ASN A 113 9.002 -14.113 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.129 -13.061 -8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.378 -12.994 -8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.149 -9.457 -8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.301 -11.006 -8.629 1.00 0.00 H new TER 1506 ASN A 113