USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 81 SER OG : rot 160:sc= 0.716 USER MOD Set 1.2: A 84 SER OG : rot -152:sc= 0.807 USER MOD Set 2.1: A 61 LYS NZ :NH3+ 136:sc= 1.1 (180deg=-0.254) USER MOD Set 2.2: A 66 TYR OH : rot 30:sc= -0.0946 USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 59:sc= 0.831 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -130:sc= -0.555 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 27 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.3!) USER MOD Single : A 28 MET CE :methyl 175:sc= 0 (180deg=-0.00707) USER MOD Single : A 29 ASN : amide:sc= -8.78! C(o=-8.8!,f=-25!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.0783 F(o=-0.77,f=-0.078) USER MOD Single : A 40 SER OG : rot -99:sc= 0.444 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -170:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.92! C(o=-2.9!,f=-9.2!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.31) USER MOD Single : A 58 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 67 ASN : amide:sc= -0.593 K(o=-0.59,f=-1.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.266 -12.300 4.252 1.00 0.00 N ATOM 2 CA GLY A 1 -8.236 -12.239 2.801 1.00 0.00 C ATOM 3 C GLY A 1 -6.809 -12.036 2.290 1.00 0.00 C ATOM 4 O GLY A 1 -6.340 -10.904 2.180 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.245 -12.438 4.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.679 -13.094 4.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.895 -11.411 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.647 -13.159 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.870 -11.423 2.455 1.00 0.00 H new ATOM 8 N SER A 2 -6.157 -13.150 1.991 1.00 0.00 N ATOM 9 CA SER A 2 -4.793 -13.109 1.494 1.00 0.00 C ATOM 10 C SER A 2 -4.677 -13.938 0.213 1.00 0.00 C ATOM 11 O SER A 2 -4.902 -15.147 0.230 1.00 0.00 O ATOM 12 CB SER A 2 -3.807 -13.619 2.547 1.00 0.00 C ATOM 13 OG SER A 2 -2.967 -12.578 3.040 1.00 0.00 O ATOM 0 H SER A 2 -6.549 -14.087 2.084 1.00 0.00 H new ATOM 0 HA SER A 2 -4.542 -12.072 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.359 -14.063 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.191 -14.408 2.115 1.00 0.00 H new ATOM 0 HG SER A 2 -2.353 -12.943 3.711 1.00 0.00 H new ATOM 19 N SER A 3 -4.326 -13.255 -0.867 1.00 0.00 N ATOM 20 CA SER A 3 -4.177 -13.913 -2.153 1.00 0.00 C ATOM 21 C SER A 3 -2.887 -13.450 -2.832 1.00 0.00 C ATOM 22 O SER A 3 -2.453 -12.315 -2.641 1.00 0.00 O ATOM 23 CB SER A 3 -5.381 -13.636 -3.056 1.00 0.00 C ATOM 24 OG SER A 3 -6.138 -14.815 -3.314 1.00 0.00 O ATOM 0 H SER A 3 -4.141 -12.252 -0.877 1.00 0.00 H new ATOM 0 HA SER A 3 -4.124 -14.988 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.022 -12.889 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.037 -13.213 -4.000 1.00 0.00 H new ATOM 0 HG SER A 3 -6.898 -14.596 -3.892 1.00 0.00 H new ATOM 30 N GLY A 4 -2.309 -14.352 -3.612 1.00 0.00 N ATOM 31 CA GLY A 4 -1.077 -14.050 -4.320 1.00 0.00 C ATOM 32 C GLY A 4 -0.496 -15.308 -4.970 1.00 0.00 C ATOM 33 O GLY A 4 -0.786 -16.423 -4.541 1.00 0.00 O ATOM 0 H GLY A 4 -2.672 -15.292 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.268 -13.296 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.350 -13.625 -3.628 1.00 0.00 H new ATOM 37 N SER A 5 0.315 -15.085 -5.994 1.00 0.00 N ATOM 38 CA SER A 5 0.939 -16.186 -6.707 1.00 0.00 C ATOM 39 C SER A 5 2.455 -16.149 -6.503 1.00 0.00 C ATOM 40 O SER A 5 3.047 -17.122 -6.037 1.00 0.00 O ATOM 41 CB SER A 5 0.603 -16.138 -8.199 1.00 0.00 C ATOM 42 OG SER A 5 -0.500 -16.979 -8.525 1.00 0.00 O ATOM 0 H SER A 5 0.554 -14.158 -6.347 1.00 0.00 H new ATOM 0 HA SER A 5 0.547 -17.120 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.374 -15.112 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.475 -16.444 -8.777 1.00 0.00 H new ATOM 0 HG SER A 5 -0.684 -16.919 -9.486 1.00 0.00 H new ATOM 48 N SER A 6 3.041 -15.016 -6.862 1.00 0.00 N ATOM 49 CA SER A 6 4.476 -14.839 -6.725 1.00 0.00 C ATOM 50 C SER A 6 4.893 -13.480 -7.290 1.00 0.00 C ATOM 51 O SER A 6 4.186 -12.904 -8.116 1.00 0.00 O ATOM 52 CB SER A 6 5.240 -15.963 -7.428 1.00 0.00 C ATOM 53 OG SER A 6 5.696 -16.954 -6.511 1.00 0.00 O ATOM 0 H SER A 6 2.547 -14.211 -7.248 1.00 0.00 H new ATOM 0 HA SER A 6 4.724 -14.876 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.595 -16.428 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.093 -15.543 -7.962 1.00 0.00 H new ATOM 0 HG SER A 6 4.929 -17.341 -6.040 1.00 0.00 H new ATOM 59 N GLY A 7 6.039 -13.007 -6.823 1.00 0.00 N ATOM 60 CA GLY A 7 6.558 -11.726 -7.272 1.00 0.00 C ATOM 61 C GLY A 7 7.220 -10.968 -6.119 1.00 0.00 C ATOM 62 O GLY A 7 7.925 -11.562 -5.305 1.00 0.00 O ATOM 0 H GLY A 7 6.623 -13.488 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.282 -11.883 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.748 -11.127 -7.688 1.00 0.00 H new ATOM 66 N LEU A 8 6.968 -9.668 -6.086 1.00 0.00 N ATOM 67 CA LEU A 8 7.531 -8.823 -5.046 1.00 0.00 C ATOM 68 C LEU A 8 6.552 -8.744 -3.874 1.00 0.00 C ATOM 69 O LEU A 8 5.355 -8.542 -4.072 1.00 0.00 O ATOM 70 CB LEU A 8 7.918 -7.457 -5.617 1.00 0.00 C ATOM 71 CG LEU A 8 8.518 -6.460 -4.623 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.801 -5.839 -5.178 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.492 -5.397 -4.225 1.00 0.00 C ATOM 0 H LEU A 8 6.382 -9.179 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 8 8.455 -9.256 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.635 -7.612 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.031 -7.007 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 8 8.788 -7.002 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.207 -5.134 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.532 -6.624 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.579 -5.315 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.944 -4.701 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.168 -4.853 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.631 -5.878 -3.760 1.00 0.00 H new ATOM 85 N GLU A 9 7.097 -8.908 -2.677 1.00 0.00 N ATOM 86 CA GLU A 9 6.286 -8.858 -1.472 1.00 0.00 C ATOM 87 C GLU A 9 6.172 -7.418 -0.969 1.00 0.00 C ATOM 88 O GLU A 9 7.121 -6.642 -1.074 1.00 0.00 O ATOM 89 CB GLU A 9 6.858 -9.774 -0.388 1.00 0.00 C ATOM 90 CG GLU A 9 5.910 -9.866 0.809 1.00 0.00 C ATOM 91 CD GLU A 9 6.389 -10.921 1.808 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.302 -10.586 2.593 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.831 -12.038 1.765 1.00 0.00 O ATOM 0 H GLU A 9 8.090 -9.076 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 9 5.286 -9.218 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.027 -10.769 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.827 -9.396 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.846 -8.896 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.906 -10.115 0.464 1.00 0.00 H new ATOM 100 N VAL A 10 5.002 -7.104 -0.431 1.00 0.00 N ATOM 101 CA VAL A 10 4.751 -5.771 0.089 1.00 0.00 C ATOM 102 C VAL A 10 3.828 -5.868 1.305 1.00 0.00 C ATOM 103 O VAL A 10 2.776 -6.501 1.241 1.00 0.00 O ATOM 104 CB VAL A 10 4.190 -4.874 -1.017 1.00 0.00 C ATOM 105 CG1 VAL A 10 4.026 -3.435 -0.525 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.071 -4.930 -2.267 1.00 0.00 C ATOM 0 H VAL A 10 4.218 -7.750 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 10 5.681 -5.310 0.422 1.00 0.00 H new ATOM 0 HB VAL A 10 3.203 -5.250 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.626 -2.819 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.340 -3.416 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.995 -3.044 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.650 -4.284 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.077 -4.591 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.114 -5.955 -2.636 1.00 0.00 H new ATOM 116 N LEU A 11 4.257 -5.231 2.385 1.00 0.00 N ATOM 117 CA LEU A 11 3.482 -5.238 3.615 1.00 0.00 C ATOM 118 C LEU A 11 2.768 -3.894 3.770 1.00 0.00 C ATOM 119 O LEU A 11 3.063 -2.943 3.047 1.00 0.00 O ATOM 120 CB LEU A 11 4.369 -5.604 4.806 1.00 0.00 C ATOM 121 CG LEU A 11 4.827 -7.062 4.878 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.850 -7.371 3.782 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.360 -7.402 6.271 1.00 0.00 C ATOM 0 H LEU A 11 5.131 -4.707 2.434 1.00 0.00 H new ATOM 0 HA LEU A 11 2.710 -6.007 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.253 -4.967 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.828 -5.368 5.722 1.00 0.00 H new ATOM 0 HG LEU A 11 3.961 -7.700 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.159 -8.414 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.401 -7.194 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.720 -6.726 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.679 -8.444 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.208 -6.758 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.573 -7.246 7.009 1.00 0.00 H new ATOM 135 N VAL A 12 1.843 -3.857 4.717 1.00 0.00 N ATOM 136 CA VAL A 12 1.085 -2.645 4.977 1.00 0.00 C ATOM 137 C VAL A 12 0.589 -2.658 6.424 1.00 0.00 C ATOM 138 O VAL A 12 -0.076 -3.603 6.848 1.00 0.00 O ATOM 139 CB VAL A 12 -0.049 -2.509 3.958 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.090 -1.491 4.429 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.497 -2.137 2.578 1.00 0.00 C ATOM 0 H VAL A 12 1.601 -4.648 5.314 1.00 0.00 H new ATOM 0 HA VAL A 12 1.719 -1.766 4.859 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.542 -3.477 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.885 -1.413 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.512 -1.816 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.616 -0.518 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.329 -2.046 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.027 -1.186 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.183 -2.913 2.237 1.00 0.00 H new ATOM 151 N LYS A 13 0.931 -1.600 7.143 1.00 0.00 N ATOM 152 CA LYS A 13 0.529 -1.478 8.534 1.00 0.00 C ATOM 153 C LYS A 13 -0.442 -0.304 8.679 1.00 0.00 C ATOM 154 O LYS A 13 -0.091 0.837 8.383 1.00 0.00 O ATOM 155 CB LYS A 13 1.758 -1.374 9.440 1.00 0.00 C ATOM 156 CG LYS A 13 1.402 -1.713 10.889 1.00 0.00 C ATOM 157 CD LYS A 13 2.621 -1.568 11.801 1.00 0.00 C ATOM 158 CE LYS A 13 2.718 -2.743 12.777 1.00 0.00 C ATOM 159 NZ LYS A 13 3.690 -2.445 13.852 1.00 0.00 N ATOM 0 H LYS A 13 1.482 -0.819 6.789 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.002 -2.374 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.534 -2.051 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.167 -0.365 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.604 -1.055 11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.021 -2.733 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.527 -1.516 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.554 -0.633 12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.738 -2.945 13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.022 -3.643 12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.744 -3.252 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.627 -2.274 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.383 -1.598 14.372 1.00 0.00 H new ATOM 173 N THR A 14 -1.644 -0.626 9.134 1.00 0.00 N ATOM 174 CA THR A 14 -2.668 0.388 9.322 1.00 0.00 C ATOM 175 C THR A 14 -2.539 1.027 10.706 1.00 0.00 C ATOM 176 O THR A 14 -1.773 0.553 11.544 1.00 0.00 O ATOM 177 CB THR A 14 -4.030 -0.266 9.079 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.092 -1.310 10.048 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.097 -0.998 7.737 1.00 0.00 C ATOM 0 H THR A 14 -1.932 -1.574 9.378 1.00 0.00 H new ATOM 0 HA THR A 14 -2.551 1.205 8.610 1.00 0.00 H new ATOM 0 HB THR A 14 -4.810 0.495 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.945 -1.786 9.962 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.084 -1.444 7.615 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.915 -0.291 6.927 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.339 -1.781 7.712 1.00 0.00 H new ATOM 187 N LEU A 15 -3.300 2.093 10.904 1.00 0.00 N ATOM 188 CA LEU A 15 -3.281 2.802 12.172 1.00 0.00 C ATOM 189 C LEU A 15 -3.975 1.951 13.238 1.00 0.00 C ATOM 190 O LEU A 15 -4.969 2.376 13.825 1.00 0.00 O ATOM 191 CB LEU A 15 -3.881 4.200 12.014 1.00 0.00 C ATOM 192 CG LEU A 15 -3.450 4.978 10.769 1.00 0.00 C ATOM 193 CD1 LEU A 15 -1.983 4.702 10.431 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.376 4.681 9.588 1.00 0.00 C ATOM 0 H LEU A 15 -3.934 2.483 10.207 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.255 2.957 12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.967 4.109 12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.619 4.788 12.894 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.536 6.043 10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.702 5.267 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.354 5.005 11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.847 3.637 10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.047 5.247 8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.346 3.615 9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.396 4.969 9.844 1.00 0.00 H new ATOM 206 N ASP A 16 -3.425 0.766 13.454 1.00 0.00 N ATOM 207 CA ASP A 16 -3.979 -0.148 14.438 1.00 0.00 C ATOM 208 C ASP A 16 -3.109 -1.405 14.508 1.00 0.00 C ATOM 209 O ASP A 16 -3.622 -2.510 14.681 1.00 0.00 O ATOM 210 CB ASP A 16 -5.398 -0.575 14.056 1.00 0.00 C ATOM 211 CG ASP A 16 -6.348 -0.792 15.236 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.077 -1.728 16.019 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.324 -0.016 15.328 1.00 0.00 O ATOM 0 H ASP A 16 -2.601 0.417 12.964 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.004 0.366 15.399 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.825 0.183 13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.341 -1.499 13.480 1.00 0.00 H new ATOM 218 N SER A 17 -1.809 -1.194 14.369 1.00 0.00 N ATOM 219 CA SER A 17 -0.863 -2.297 14.414 1.00 0.00 C ATOM 220 C SER A 17 -1.446 -3.515 13.696 1.00 0.00 C ATOM 221 O SER A 17 -1.832 -4.492 14.336 1.00 0.00 O ATOM 222 CB SER A 17 -0.501 -2.654 15.857 1.00 0.00 C ATOM 223 OG SER A 17 0.822 -2.246 16.193 1.00 0.00 O ATOM 0 H SER A 17 -1.388 -0.276 14.225 1.00 0.00 H new ATOM 0 HA SER A 17 0.050 -1.986 13.906 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.210 -2.180 16.536 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.595 -3.731 15.998 1.00 0.00 H new ATOM 0 HG SER A 17 1.014 -2.490 17.122 1.00 0.00 H new ATOM 229 N GLN A 18 -1.490 -3.418 12.375 1.00 0.00 N ATOM 230 CA GLN A 18 -2.019 -4.501 11.563 1.00 0.00 C ATOM 231 C GLN A 18 -1.222 -4.628 10.263 1.00 0.00 C ATOM 232 O GLN A 18 -1.496 -3.926 9.291 1.00 0.00 O ATOM 233 CB GLN A 18 -3.507 -4.293 11.274 1.00 0.00 C ATOM 234 CG GLN A 18 -4.365 -4.763 12.451 1.00 0.00 C ATOM 235 CD GLN A 18 -5.666 -5.402 11.962 1.00 0.00 C ATOM 236 OE1 GLN A 18 -5.909 -6.585 12.133 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.485 -4.556 11.344 1.00 0.00 N ATOM 0 H GLN A 18 -1.168 -2.607 11.847 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.917 -5.431 12.122 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.699 -3.238 11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.786 -4.841 10.374 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.805 -5.482 13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.593 -3.917 13.100 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.220 -3.577 11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.379 -4.886 10.979 1.00 0.00 H new ATOM 246 N THR A 19 -0.250 -5.528 10.289 1.00 0.00 N ATOM 247 CA THR A 19 0.589 -5.756 9.125 1.00 0.00 C ATOM 248 C THR A 19 -0.013 -6.848 8.238 1.00 0.00 C ATOM 249 O THR A 19 -0.516 -7.852 8.740 1.00 0.00 O ATOM 250 CB THR A 19 2.001 -6.083 9.617 1.00 0.00 C ATOM 251 OG1 THR A 19 2.303 -5.031 10.530 1.00 0.00 O ATOM 252 CG2 THR A 19 3.054 -5.934 8.516 1.00 0.00 C ATOM 0 H THR A 19 -0.025 -6.108 11.098 1.00 0.00 H new ATOM 0 HA THR A 19 0.645 -4.866 8.498 1.00 0.00 H new ATOM 0 HB THR A 19 2.023 -7.101 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.179 -4.650 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.038 -6.178 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.820 -6.611 7.695 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.056 -4.907 8.151 1.00 0.00 H new ATOM 260 N ARG A 20 0.058 -6.615 6.936 1.00 0.00 N ATOM 261 CA ARG A 20 -0.474 -7.566 5.975 1.00 0.00 C ATOM 262 C ARG A 20 0.482 -7.715 4.790 1.00 0.00 C ATOM 263 O ARG A 20 0.729 -6.754 4.063 1.00 0.00 O ATOM 264 CB ARG A 20 -1.845 -7.122 5.463 1.00 0.00 C ATOM 265 CG ARG A 20 -2.944 -7.463 6.471 1.00 0.00 C ATOM 266 CD ARG A 20 -4.148 -6.533 6.305 1.00 0.00 C ATOM 267 NE ARG A 20 -4.968 -6.541 7.538 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.913 -7.453 7.805 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.163 -8.435 6.928 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.608 -7.382 8.948 1.00 0.00 N ATOM 0 H ARG A 20 0.476 -5.781 6.524 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.581 -8.525 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.837 -6.048 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.056 -7.608 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.258 -8.498 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.552 -7.379 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.808 -5.520 6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.751 -6.853 5.455 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.803 -5.807 8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.634 -8.488 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.882 -9.129 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.418 -6.634 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.327 -8.076 9.151 1.00 0.00 H new ATOM 284 N THR A 21 0.995 -8.926 4.632 1.00 0.00 N ATOM 285 CA THR A 21 1.918 -9.213 3.548 1.00 0.00 C ATOM 286 C THR A 21 1.157 -9.400 2.234 1.00 0.00 C ATOM 287 O THR A 21 0.127 -10.071 2.200 1.00 0.00 O ATOM 288 CB THR A 21 2.751 -10.433 3.947 1.00 0.00 C ATOM 289 OG1 THR A 21 3.838 -9.884 4.688 1.00 0.00 O ATOM 290 CG2 THR A 21 3.421 -11.103 2.745 1.00 0.00 C ATOM 0 H THR A 21 0.789 -9.720 5.237 1.00 0.00 H new ATOM 0 HA THR A 21 2.598 -8.379 3.377 1.00 0.00 H new ATOM 0 HB THR A 21 2.115 -11.156 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.428 -10.607 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.999 -11.963 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.658 -11.434 2.041 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.084 -10.390 2.254 1.00 0.00 H new ATOM 298 N PHE A 22 1.693 -8.795 1.185 1.00 0.00 N ATOM 299 CA PHE A 22 1.077 -8.886 -0.128 1.00 0.00 C ATOM 300 C PHE A 22 2.118 -9.213 -1.200 1.00 0.00 C ATOM 301 O PHE A 22 3.246 -8.725 -1.145 1.00 0.00 O ATOM 302 CB PHE A 22 0.463 -7.518 -0.430 1.00 0.00 C ATOM 303 CG PHE A 22 -0.744 -7.171 0.443 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.884 -7.908 0.352 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.678 -6.126 1.311 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.005 -7.586 1.162 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.799 -5.804 2.122 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.939 -6.541 2.030 1.00 0.00 C ATOM 0 H PHE A 22 2.548 -8.239 1.217 1.00 0.00 H new ATOM 0 HA PHE A 22 0.328 -9.678 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.226 -6.751 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.161 -7.490 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.936 -8.738 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.227 -5.541 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.910 -8.171 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.746 -4.974 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.791 -6.296 2.646 1.00 0.00 H new ATOM 318 N ILE A 23 1.702 -10.036 -2.152 1.00 0.00 N ATOM 319 CA ILE A 23 2.585 -10.433 -3.236 1.00 0.00 C ATOM 320 C ILE A 23 2.036 -9.894 -4.558 1.00 0.00 C ATOM 321 O ILE A 23 1.067 -10.428 -5.096 1.00 0.00 O ATOM 322 CB ILE A 23 2.792 -11.949 -3.229 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.358 -12.419 -1.887 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.667 -12.388 -4.405 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.881 -12.280 -1.855 1.00 0.00 C ATOM 0 H ILE A 23 0.766 -10.438 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 23 3.575 -9.998 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 23 1.820 -12.427 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.919 -11.835 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.081 -13.459 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.799 -13.470 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.186 -12.105 -5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.640 -11.902 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.257 -12.621 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.318 -12.885 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.154 -11.235 -2.002 1.00 0.00 H new ATOM 337 N VAL A 24 2.679 -8.842 -5.044 1.00 0.00 N ATOM 338 CA VAL A 24 2.268 -8.225 -6.293 1.00 0.00 C ATOM 339 C VAL A 24 3.469 -8.145 -7.237 1.00 0.00 C ATOM 340 O VAL A 24 4.613 -8.276 -6.805 1.00 0.00 O ATOM 341 CB VAL A 24 1.631 -6.861 -6.018 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.335 -7.012 -5.220 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.613 -5.933 -5.300 1.00 0.00 C ATOM 0 H VAL A 24 3.482 -8.402 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 24 1.507 -8.830 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 24 1.382 -6.407 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.097 -6.028 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.372 -7.620 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.549 -7.496 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.136 -4.970 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.907 -6.379 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.497 -5.787 -5.921 1.00 0.00 H new ATOM 353 N GLY A 25 3.168 -7.929 -8.509 1.00 0.00 N ATOM 354 CA GLY A 25 4.209 -7.830 -9.518 1.00 0.00 C ATOM 355 C GLY A 25 5.039 -6.559 -9.327 1.00 0.00 C ATOM 356 O GLY A 25 4.498 -5.454 -9.330 1.00 0.00 O ATOM 0 H GLY A 25 2.218 -7.820 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.858 -8.704 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.759 -7.829 -10.511 1.00 0.00 H new ATOM 360 N ALA A 26 6.339 -6.758 -9.164 1.00 0.00 N ATOM 361 CA ALA A 26 7.248 -5.642 -8.971 1.00 0.00 C ATOM 362 C ALA A 26 6.910 -4.535 -9.972 1.00 0.00 C ATOM 363 O ALA A 26 7.017 -3.352 -9.654 1.00 0.00 O ATOM 364 CB ALA A 26 8.692 -6.130 -9.107 1.00 0.00 C ATOM 0 H ALA A 26 6.784 -7.676 -9.162 1.00 0.00 H new ATOM 0 HA ALA A 26 7.137 -5.226 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.374 -5.292 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.890 -6.894 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.841 -6.552 -10.101 1.00 0.00 H new ATOM 370 N GLN A 27 6.509 -4.959 -11.161 1.00 0.00 N ATOM 371 CA GLN A 27 6.155 -4.019 -12.211 1.00 0.00 C ATOM 372 C GLN A 27 4.961 -3.165 -11.777 1.00 0.00 C ATOM 373 O GLN A 27 4.940 -1.958 -12.011 1.00 0.00 O ATOM 374 CB GLN A 27 5.860 -4.748 -13.523 1.00 0.00 C ATOM 375 CG GLN A 27 7.133 -5.363 -14.107 1.00 0.00 C ATOM 376 CD GLN A 27 6.910 -6.828 -14.486 1.00 0.00 C ATOM 377 OE1 GLN A 27 5.799 -7.273 -14.724 1.00 0.00 O ATOM 378 NE2 GLN A 27 8.025 -7.552 -14.529 1.00 0.00 N ATOM 0 H GLN A 27 6.421 -5.941 -11.421 1.00 0.00 H new ATOM 0 HA GLN A 27 7.005 -3.359 -12.384 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.120 -5.530 -13.350 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.426 -4.052 -14.240 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.443 -4.799 -14.987 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.942 -5.291 -13.381 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.924 -7.118 -14.319 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.981 -8.542 -14.772 1.00 0.00 H new ATOM 387 N MET A 28 3.997 -3.826 -11.153 1.00 0.00 N ATOM 388 CA MET A 28 2.803 -3.142 -10.685 1.00 0.00 C ATOM 389 C MET A 28 3.143 -1.751 -10.148 1.00 0.00 C ATOM 390 O MET A 28 4.237 -1.532 -9.630 1.00 0.00 O ATOM 391 CB MET A 28 2.142 -3.969 -9.581 1.00 0.00 C ATOM 392 CG MET A 28 0.864 -3.292 -9.080 1.00 0.00 C ATOM 393 SD MET A 28 0.117 -4.276 -7.792 1.00 0.00 S ATOM 394 CE MET A 28 -0.839 -5.411 -8.784 1.00 0.00 C ATOM 0 H MET A 28 4.018 -4.827 -10.961 1.00 0.00 H new ATOM 0 HA MET A 28 2.118 -3.028 -11.525 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.907 -4.964 -9.958 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.838 -4.099 -8.752 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.095 -2.296 -8.701 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.163 -3.165 -9.905 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.303 -6.157 -8.138 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.614 -4.862 -9.319 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.185 -5.908 -9.501 1.00 0.00 H new ATOM 404 N ASN A 29 2.185 -0.847 -10.289 1.00 0.00 N ATOM 405 CA ASN A 29 2.370 0.518 -9.825 1.00 0.00 C ATOM 406 C ASN A 29 1.718 0.676 -8.449 1.00 0.00 C ATOM 407 O ASN A 29 1.035 -0.230 -7.974 1.00 0.00 O ATOM 408 CB ASN A 29 1.711 1.518 -10.777 1.00 0.00 C ATOM 409 CG ASN A 29 0.347 1.010 -11.248 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.165 -0.152 -11.570 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.600 1.944 -11.269 1.00 0.00 N ATOM 0 H ASN A 29 1.278 -1.033 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 29 3.441 0.716 -9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.592 2.479 -10.276 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.358 1.686 -11.638 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.546 1.705 -11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.381 2.899 -10.986 1.00 0.00 H new ATOM 418 N VAL A 30 1.952 1.833 -7.849 1.00 0.00 N ATOM 419 CA VAL A 30 1.397 2.122 -6.537 1.00 0.00 C ATOM 420 C VAL A 30 -0.130 2.049 -6.608 1.00 0.00 C ATOM 421 O VAL A 30 -0.764 1.402 -5.775 1.00 0.00 O ATOM 422 CB VAL A 30 1.909 3.474 -6.038 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.008 4.027 -4.931 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.359 3.370 -5.563 1.00 0.00 C ATOM 0 H VAL A 30 2.519 2.582 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 30 1.725 1.378 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 30 1.880 4.172 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.394 4.989 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.003 4.157 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.991 3.329 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.698 4.345 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.424 2.650 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.990 3.041 -6.389 1.00 0.00 H new ATOM 434 N LYS A 31 -0.677 2.723 -7.609 1.00 0.00 N ATOM 435 CA LYS A 31 -2.117 2.743 -7.800 1.00 0.00 C ATOM 436 C LYS A 31 -2.644 1.307 -7.830 1.00 0.00 C ATOM 437 O LYS A 31 -3.385 0.894 -6.939 1.00 0.00 O ATOM 438 CB LYS A 31 -2.482 3.558 -9.042 1.00 0.00 C ATOM 439 CG LYS A 31 -4.000 3.683 -9.189 1.00 0.00 C ATOM 440 CD LYS A 31 -4.409 5.135 -9.447 1.00 0.00 C ATOM 441 CE LYS A 31 -4.846 5.332 -10.899 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.306 5.566 -10.974 1.00 0.00 N ATOM 0 H LYS A 31 -0.148 3.260 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.605 3.244 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.037 4.551 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.065 3.082 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.342 3.054 -10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.488 3.319 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.224 5.411 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.573 5.797 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.313 6.178 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.582 4.453 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.586 5.698 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.810 4.747 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.549 6.418 -10.430 1.00 0.00 H new ATOM 456 N GLU A 32 -2.240 0.584 -8.865 1.00 0.00 N ATOM 457 CA GLU A 32 -2.662 -0.797 -9.023 1.00 0.00 C ATOM 458 C GLU A 32 -2.658 -1.512 -7.670 1.00 0.00 C ATOM 459 O GLU A 32 -3.664 -2.094 -7.269 1.00 0.00 O ATOM 460 CB GLU A 32 -1.775 -1.529 -10.032 1.00 0.00 C ATOM 461 CG GLU A 32 -2.206 -1.220 -11.467 1.00 0.00 C ATOM 462 CD GLU A 32 -1.430 -2.077 -12.469 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.131 -3.237 -12.113 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.152 -1.552 -13.569 1.00 0.00 O ATOM 0 H GLU A 32 -1.625 0.929 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.680 -0.803 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.736 -1.234 -9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.828 -2.603 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.275 -1.404 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.040 -0.164 -11.681 1.00 0.00 H new ATOM 471 N PHE A 33 -1.515 -1.444 -7.004 1.00 0.00 N ATOM 472 CA PHE A 33 -1.367 -2.077 -5.705 1.00 0.00 C ATOM 473 C PHE A 33 -2.509 -1.679 -4.768 1.00 0.00 C ATOM 474 O PHE A 33 -3.061 -2.523 -4.063 1.00 0.00 O ATOM 475 CB PHE A 33 -0.044 -1.583 -5.115 1.00 0.00 C ATOM 476 CG PHE A 33 0.366 -2.295 -3.824 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.689 -3.616 -3.849 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.406 -1.608 -2.651 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.070 -4.277 -2.651 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.786 -2.268 -1.453 1.00 0.00 C ATOM 481 CZ PHE A 33 1.110 -3.589 -1.478 1.00 0.00 C ATOM 0 H PHE A 33 -0.682 -0.960 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.384 -3.161 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.744 -1.714 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.122 -0.514 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.656 -4.162 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.148 -0.559 -2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.328 -5.326 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.818 -1.722 -0.522 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.399 -4.092 -0.567 1.00 0.00 H new ATOM 491 N LYS A 34 -2.830 -0.394 -4.790 1.00 0.00 N ATOM 492 CA LYS A 34 -3.897 0.126 -3.952 1.00 0.00 C ATOM 493 C LYS A 34 -5.205 -0.588 -4.297 1.00 0.00 C ATOM 494 O LYS A 34 -5.948 -0.996 -3.405 1.00 0.00 O ATOM 495 CB LYS A 34 -3.978 1.649 -4.071 1.00 0.00 C ATOM 496 CG LYS A 34 -2.759 2.315 -3.428 1.00 0.00 C ATOM 497 CD LYS A 34 -3.080 3.748 -3.000 1.00 0.00 C ATOM 498 CE LYS A 34 -1.864 4.659 -3.179 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.199 5.806 -4.052 1.00 0.00 N ATOM 0 H LYS A 34 -2.370 0.303 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.690 -0.078 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.040 1.932 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.888 2.007 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.438 1.736 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.928 2.320 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.914 4.129 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.396 3.758 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.527 5.020 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.039 4.093 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.362 6.414 -4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.499 5.457 -4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.971 6.355 -3.623 1.00 0.00 H new ATOM 513 N GLU A 35 -5.447 -0.718 -5.593 1.00 0.00 N ATOM 514 CA GLU A 35 -6.653 -1.377 -6.067 1.00 0.00 C ATOM 515 C GLU A 35 -6.629 -2.860 -5.694 1.00 0.00 C ATOM 516 O GLU A 35 -7.674 -3.454 -5.430 1.00 0.00 O ATOM 517 CB GLU A 35 -6.820 -1.194 -7.577 1.00 0.00 C ATOM 518 CG GLU A 35 -7.093 0.271 -7.925 1.00 0.00 C ATOM 519 CD GLU A 35 -7.245 0.457 -9.436 1.00 0.00 C ATOM 520 OE1 GLU A 35 -7.829 -0.453 -10.063 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.774 1.504 -9.929 1.00 0.00 O ATOM 0 H GLU A 35 -4.829 -0.378 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.512 -0.914 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.919 -1.531 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.641 -1.815 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.000 0.605 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.277 0.894 -7.559 1.00 0.00 H new ATOM 528 N HIS A 36 -5.427 -3.416 -5.683 1.00 0.00 N ATOM 529 CA HIS A 36 -5.254 -4.819 -5.347 1.00 0.00 C ATOM 530 C HIS A 36 -5.609 -5.041 -3.876 1.00 0.00 C ATOM 531 O HIS A 36 -6.483 -5.847 -3.559 1.00 0.00 O ATOM 532 CB HIS A 36 -3.840 -5.290 -5.693 1.00 0.00 C ATOM 533 CG HIS A 36 -3.572 -6.735 -5.344 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.723 -7.288 -4.432 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.216 -7.789 -5.968 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.843 -8.609 -4.493 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.768 -8.921 -5.446 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.563 -2.920 -5.901 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.933 -5.427 -5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.671 -5.147 -6.760 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.120 -4.661 -5.170 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.958 -7.703 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.298 -9.319 -3.888 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.063 -9.861 -5.710 1.00 0.00 H new ATOM 545 N ILE A 37 -4.914 -4.313 -3.015 1.00 0.00 N ATOM 546 CA ILE A 37 -5.145 -4.420 -1.585 1.00 0.00 C ATOM 547 C ILE A 37 -6.520 -3.837 -1.250 1.00 0.00 C ATOM 548 O ILE A 37 -7.174 -4.283 -0.308 1.00 0.00 O ATOM 549 CB ILE A 37 -3.997 -3.774 -0.806 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.091 -2.248 -0.856 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.643 -4.282 -1.305 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.239 -1.610 0.243 1.00 0.00 C ATOM 0 H ILE A 37 -4.190 -3.646 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.158 -5.466 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.086 -4.067 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.760 -1.891 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.130 -1.940 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.844 -3.808 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.589 -5.363 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.530 -4.038 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.324 -0.525 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.589 -1.950 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.197 -1.900 0.110 1.00 0.00 H new ATOM 564 N ALA A 38 -6.916 -2.849 -2.038 1.00 0.00 N ATOM 565 CA ALA A 38 -8.201 -2.201 -1.837 1.00 0.00 C ATOM 566 C ALA A 38 -9.254 -3.259 -1.500 1.00 0.00 C ATOM 567 O ALA A 38 -10.194 -2.989 -0.755 1.00 0.00 O ATOM 568 CB ALA A 38 -8.565 -1.391 -3.083 1.00 0.00 C ATOM 0 H ALA A 38 -6.370 -2.481 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.153 -1.506 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.529 -0.905 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.801 -0.634 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.625 -2.056 -3.945 1.00 0.00 H new ATOM 574 N ALA A 39 -9.061 -4.441 -2.067 1.00 0.00 N ATOM 575 CA ALA A 39 -9.983 -5.540 -1.836 1.00 0.00 C ATOM 576 C ALA A 39 -9.865 -6.003 -0.383 1.00 0.00 C ATOM 577 O ALA A 39 -10.864 -6.083 0.330 1.00 0.00 O ATOM 578 CB ALA A 39 -9.694 -6.666 -2.831 1.00 0.00 C ATOM 0 H ALA A 39 -8.280 -4.661 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.012 -5.218 -1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.385 -7.491 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.820 -6.294 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.671 -7.016 -2.697 1.00 0.00 H new ATOM 584 N SER A 40 -8.635 -6.295 0.014 1.00 0.00 N ATOM 585 CA SER A 40 -8.373 -6.747 1.370 1.00 0.00 C ATOM 586 C SER A 40 -8.806 -5.675 2.372 1.00 0.00 C ATOM 587 O SER A 40 -9.649 -5.927 3.231 1.00 0.00 O ATOM 588 CB SER A 40 -6.893 -7.086 1.562 1.00 0.00 C ATOM 589 OG SER A 40 -6.512 -8.247 0.828 1.00 0.00 O ATOM 0 H SER A 40 -7.809 -6.227 -0.580 1.00 0.00 H new ATOM 0 HA SER A 40 -8.951 -7.654 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.283 -6.240 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.692 -7.245 2.621 1.00 0.00 H new ATOM 0 HG SER A 40 -6.507 -9.024 1.425 1.00 0.00 H new ATOM 595 N VAL A 41 -8.209 -4.500 2.228 1.00 0.00 N ATOM 596 CA VAL A 41 -8.523 -3.389 3.110 1.00 0.00 C ATOM 597 C VAL A 41 -9.979 -2.970 2.898 1.00 0.00 C ATOM 598 O VAL A 41 -10.596 -2.385 3.786 1.00 0.00 O ATOM 599 CB VAL A 41 -7.532 -2.245 2.882 1.00 0.00 C ATOM 600 CG1 VAL A 41 -6.115 -2.658 3.284 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.572 -1.766 1.429 1.00 0.00 C ATOM 0 H VAL A 41 -7.510 -4.294 1.514 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.420 -3.688 4.153 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.831 -1.412 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.431 -1.827 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.100 -2.927 4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.802 -3.515 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.859 -0.953 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.311 -2.591 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.575 -1.412 1.190 1.00 0.00 H new ATOM 611 N SER A 42 -10.486 -3.286 1.715 1.00 0.00 N ATOM 612 CA SER A 42 -11.858 -2.950 1.375 1.00 0.00 C ATOM 613 C SER A 42 -11.983 -1.444 1.133 1.00 0.00 C ATOM 614 O SER A 42 -13.089 -0.925 0.988 1.00 0.00 O ATOM 615 CB SER A 42 -12.823 -3.393 2.477 1.00 0.00 C ATOM 616 OG SER A 42 -14.106 -3.731 1.958 1.00 0.00 O ATOM 0 H SER A 42 -9.971 -3.771 0.980 1.00 0.00 H new ATOM 0 HA SER A 42 -12.124 -3.482 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.405 -4.253 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.928 -2.593 3.210 1.00 0.00 H new ATOM 0 HG SER A 42 -14.693 -4.010 2.692 1.00 0.00 H new ATOM 622 N ILE A 43 -10.834 -0.785 1.097 1.00 0.00 N ATOM 623 CA ILE A 43 -10.802 0.650 0.875 1.00 0.00 C ATOM 624 C ILE A 43 -10.325 0.931 -0.552 1.00 0.00 C ATOM 625 O ILE A 43 -9.444 0.242 -1.062 1.00 0.00 O ATOM 626 CB ILE A 43 -9.960 1.340 1.951 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.550 1.104 3.343 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.791 2.829 1.644 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.549 1.487 4.435 1.00 0.00 C ATOM 0 H ILE A 43 -9.919 -1.219 1.218 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.803 1.072 0.966 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.965 0.896 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.462 1.689 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.828 0.056 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.189 3.295 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.293 2.948 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.770 3.306 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.993 1.310 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.648 0.883 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.292 2.542 4.339 1.00 0.00 H new ATOM 641 N PRO A 44 -10.946 1.970 -1.171 1.00 0.00 N ATOM 642 CA PRO A 44 -10.595 2.351 -2.529 1.00 0.00 C ATOM 643 C PRO A 44 -9.253 3.086 -2.562 1.00 0.00 C ATOM 644 O PRO A 44 -8.939 3.853 -1.654 1.00 0.00 O ATOM 645 CB PRO A 44 -11.754 3.208 -3.010 1.00 0.00 C ATOM 646 CG PRO A 44 -12.486 3.659 -1.756 1.00 0.00 C ATOM 647 CD PRO A 44 -11.994 2.809 -0.597 1.00 0.00 C ATOM 0 HA PRO A 44 -10.455 1.491 -3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.396 4.064 -3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.415 2.640 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.296 4.715 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.563 3.546 -1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.607 3.429 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.800 2.206 -0.179 1.00 0.00 H new ATOM 655 N SER A 45 -8.498 2.825 -3.620 1.00 0.00 N ATOM 656 CA SER A 45 -7.198 3.452 -3.784 1.00 0.00 C ATOM 657 C SER A 45 -7.303 4.953 -3.507 1.00 0.00 C ATOM 658 O SER A 45 -6.566 5.488 -2.679 1.00 0.00 O ATOM 659 CB SER A 45 -6.643 3.209 -5.189 1.00 0.00 C ATOM 660 OG SER A 45 -5.639 4.159 -5.537 1.00 0.00 O ATOM 0 H SER A 45 -8.762 2.188 -4.371 1.00 0.00 H new ATOM 0 HA SER A 45 -6.509 3.004 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.226 2.203 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.456 3.258 -5.914 1.00 0.00 H new ATOM 0 HG SER A 45 -5.423 4.072 -6.489 1.00 0.00 H new ATOM 666 N GLU A 46 -8.224 5.591 -4.214 1.00 0.00 N ATOM 667 CA GLU A 46 -8.434 7.020 -4.055 1.00 0.00 C ATOM 668 C GLU A 46 -8.599 7.370 -2.575 1.00 0.00 C ATOM 669 O GLU A 46 -8.390 8.515 -2.177 1.00 0.00 O ATOM 670 CB GLU A 46 -9.642 7.490 -4.867 1.00 0.00 C ATOM 671 CG GLU A 46 -10.948 7.207 -4.122 1.00 0.00 C ATOM 672 CD GLU A 46 -12.156 7.401 -5.040 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.241 6.647 -6.034 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.969 8.298 -4.728 1.00 0.00 O ATOM 0 H GLU A 46 -8.834 5.144 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.556 7.541 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.557 8.558 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.654 6.985 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.938 6.187 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.031 7.870 -3.261 1.00 0.00 H new ATOM 681 N LYS A 47 -8.972 6.362 -1.799 1.00 0.00 N ATOM 682 CA LYS A 47 -9.167 6.550 -0.371 1.00 0.00 C ATOM 683 C LYS A 47 -7.865 6.224 0.364 1.00 0.00 C ATOM 684 O LYS A 47 -7.599 6.771 1.433 1.00 0.00 O ATOM 685 CB LYS A 47 -10.368 5.737 0.116 1.00 0.00 C ATOM 686 CG LYS A 47 -11.610 6.622 0.251 1.00 0.00 C ATOM 687 CD LYS A 47 -12.430 6.231 1.482 1.00 0.00 C ATOM 688 CE LYS A 47 -13.309 5.013 1.192 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.661 5.201 1.763 1.00 0.00 N ATOM 0 H LYS A 47 -9.144 5.413 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.405 7.591 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.570 4.925 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.136 5.280 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.310 7.667 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.225 6.531 -0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.761 6.011 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.055 7.070 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.381 4.857 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.851 4.118 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.244 4.365 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.588 5.327 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.102 6.043 1.341 1.00 0.00 H new ATOM 703 N GLN A 48 -7.089 5.336 -0.238 1.00 0.00 N ATOM 704 CA GLN A 48 -5.821 4.931 0.346 1.00 0.00 C ATOM 705 C GLN A 48 -4.718 5.916 -0.045 1.00 0.00 C ATOM 706 O GLN A 48 -4.877 6.689 -0.988 1.00 0.00 O ATOM 707 CB GLN A 48 -5.456 3.505 -0.071 1.00 0.00 C ATOM 708 CG GLN A 48 -6.538 2.513 0.361 1.00 0.00 C ATOM 709 CD GLN A 48 -6.182 1.090 -0.073 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.493 0.356 0.617 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.689 0.741 -1.252 1.00 0.00 N ATOM 0 H GLN A 48 -7.313 4.885 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.923 4.942 1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.328 3.460 -1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.502 3.225 0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.657 2.548 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.495 2.801 -0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.258 1.404 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.509 -0.189 -1.629 1.00 0.00 H new ATOM 720 N ARG A 49 -3.624 5.856 0.700 1.00 0.00 N ATOM 721 CA ARG A 49 -2.495 6.733 0.443 1.00 0.00 C ATOM 722 C ARG A 49 -1.235 6.188 1.118 1.00 0.00 C ATOM 723 O ARG A 49 -0.815 6.693 2.158 1.00 0.00 O ATOM 724 CB ARG A 49 -2.768 8.148 0.957 1.00 0.00 C ATOM 725 CG ARG A 49 -1.604 9.085 0.630 1.00 0.00 C ATOM 726 CD ARG A 49 -1.812 10.461 1.266 1.00 0.00 C ATOM 727 NE ARG A 49 -1.760 11.513 0.227 1.00 0.00 N ATOM 728 CZ ARG A 49 -1.865 12.824 0.479 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.028 13.254 1.738 1.00 0.00 N ATOM 730 NH2 ARG A 49 -1.807 13.707 -0.527 1.00 0.00 N ATOM 0 H ARG A 49 -3.496 5.213 1.482 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.346 6.773 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.685 8.531 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.927 8.123 2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.671 8.651 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.510 9.190 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.773 10.492 1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.044 10.643 2.018 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.636 11.221 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.072 12.583 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.108 14.253 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.683 13.381 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.887 14.705 -0.334 1.00 0.00 H new ATOM 744 N LEU A 50 -0.666 5.164 0.499 1.00 0.00 N ATOM 745 CA LEU A 50 0.537 4.544 1.027 1.00 0.00 C ATOM 746 C LEU A 50 1.573 5.629 1.330 1.00 0.00 C ATOM 747 O LEU A 50 1.770 6.544 0.533 1.00 0.00 O ATOM 748 CB LEU A 50 1.044 3.459 0.074 1.00 0.00 C ATOM 749 CG LEU A 50 0.021 2.400 -0.342 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.644 1.380 -1.296 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.604 1.731 0.884 1.00 0.00 C ATOM 0 H LEU A 50 -1.016 4.748 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 50 0.322 4.035 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.423 3.942 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.888 2.955 0.545 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.784 2.897 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.105 0.639 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.002 1.890 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.479 0.883 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.327 0.983 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.177 1.250 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.107 2.483 1.492 1.00 0.00 H new ATOM 763 N ILE A 51 2.208 5.489 2.484 1.00 0.00 N ATOM 764 CA ILE A 51 3.218 6.446 2.903 1.00 0.00 C ATOM 765 C ILE A 51 4.446 5.692 3.418 1.00 0.00 C ATOM 766 O ILE A 51 4.330 4.835 4.294 1.00 0.00 O ATOM 767 CB ILE A 51 2.634 7.434 3.914 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.583 8.332 3.259 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.741 8.246 4.589 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.568 8.831 4.290 1.00 0.00 C ATOM 0 H ILE A 51 2.043 4.727 3.142 1.00 0.00 H new ATOM 0 HA ILE A 51 3.546 7.049 2.056 1.00 0.00 H new ATOM 0 HB ILE A 51 2.130 6.865 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.072 9.182 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.067 7.780 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.299 8.941 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.420 7.572 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.294 8.805 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.168 9.467 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.064 7.979 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.084 9.403 5.061 1.00 0.00 H new ATOM 782 N TYR A 52 5.593 6.037 2.853 1.00 0.00 N ATOM 783 CA TYR A 52 6.841 5.404 3.245 1.00 0.00 C ATOM 784 C TYR A 52 7.866 6.445 3.697 1.00 0.00 C ATOM 785 O TYR A 52 8.190 7.368 2.951 1.00 0.00 O ATOM 786 CB TYR A 52 7.367 4.698 1.993 1.00 0.00 C ATOM 787 CG TYR A 52 8.626 3.863 2.232 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.871 4.451 2.143 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.516 2.521 2.537 1.00 0.00 C ATOM 790 CE1 TYR A 52 11.056 3.664 2.368 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.701 1.735 2.762 1.00 0.00 C ATOM 792 CZ TYR A 52 10.913 2.345 2.667 1.00 0.00 C ATOM 793 OH TYR A 52 12.032 1.602 2.879 1.00 0.00 O ATOM 0 H TYR A 52 5.685 6.747 2.126 1.00 0.00 H new ATOM 0 HA TYR A 52 6.678 4.717 4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.584 4.051 1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.579 5.446 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.957 5.501 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.541 2.061 2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.037 4.111 2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.629 0.684 3.001 1.00 0.00 H new ATOM 0 HH TYR A 52 11.777 0.678 3.084 1.00 0.00 H new ATOM 803 N GLN A 53 8.349 6.262 4.917 1.00 0.00 N ATOM 804 CA GLN A 53 9.332 7.174 5.478 1.00 0.00 C ATOM 805 C GLN A 53 8.705 8.551 5.712 1.00 0.00 C ATOM 806 O GLN A 53 9.416 9.542 5.871 1.00 0.00 O ATOM 807 CB GLN A 53 10.562 7.279 4.574 1.00 0.00 C ATOM 808 CG GLN A 53 11.665 6.326 5.038 1.00 0.00 C ATOM 809 CD GLN A 53 12.188 6.723 6.420 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.549 7.861 6.672 1.00 0.00 O ATOM 811 NE2 GLN A 53 12.209 5.725 7.298 1.00 0.00 N ATOM 0 H GLN A 53 8.078 5.496 5.533 1.00 0.00 H new ATOM 0 HA GLN A 53 9.661 6.777 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.284 7.046 3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.935 8.303 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.280 5.307 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.484 6.335 4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.892 4.796 7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.542 5.889 8.248 1.00 0.00 H new ATOM 820 N GLY A 54 7.380 8.568 5.726 1.00 0.00 N ATOM 821 CA GLY A 54 6.650 9.806 5.938 1.00 0.00 C ATOM 822 C GLY A 54 6.350 10.500 4.608 1.00 0.00 C ATOM 823 O GLY A 54 5.675 11.528 4.578 1.00 0.00 O ATOM 0 H GLY A 54 6.793 7.744 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.717 9.597 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.232 10.471 6.576 1.00 0.00 H new ATOM 827 N ARG A 55 6.868 9.911 3.540 1.00 0.00 N ATOM 828 CA ARG A 55 6.664 10.460 2.210 1.00 0.00 C ATOM 829 C ARG A 55 5.568 9.684 1.477 1.00 0.00 C ATOM 830 O ARG A 55 5.603 8.455 1.424 1.00 0.00 O ATOM 831 CB ARG A 55 7.954 10.407 1.389 1.00 0.00 C ATOM 832 CG ARG A 55 8.449 11.816 1.054 1.00 0.00 C ATOM 833 CD ARG A 55 9.165 11.839 -0.298 1.00 0.00 C ATOM 834 NE ARG A 55 10.212 12.884 -0.298 1.00 0.00 N ATOM 835 CZ ARG A 55 11.108 13.050 -1.281 1.00 0.00 C ATOM 836 NH1 ARG A 55 11.089 12.240 -2.349 1.00 0.00 N ATOM 837 NH2 ARG A 55 12.022 14.026 -1.197 1.00 0.00 N ATOM 0 H ARG A 55 7.428 9.059 3.569 1.00 0.00 H new ATOM 0 HA ARG A 55 6.362 11.501 2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.722 9.871 1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.781 9.850 0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.606 12.506 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.127 12.162 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.612 10.865 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.447 12.031 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 55 10.255 13.518 0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.393 11.497 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.771 12.366 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.036 14.643 -0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.704 14.152 -1.945 1.00 0.00 H new ATOM 851 N VAL A 56 4.621 10.432 0.931 1.00 0.00 N ATOM 852 CA VAL A 56 3.518 9.829 0.203 1.00 0.00 C ATOM 853 C VAL A 56 4.055 9.147 -1.057 1.00 0.00 C ATOM 854 O VAL A 56 4.931 9.684 -1.732 1.00 0.00 O ATOM 855 CB VAL A 56 2.450 10.883 -0.097 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.880 11.783 -1.257 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.097 10.229 -0.382 1.00 0.00 C ATOM 0 H VAL A 56 4.595 11.451 0.978 1.00 0.00 H new ATOM 0 HA VAL A 56 3.037 9.061 0.808 1.00 0.00 H new ATOM 0 HB VAL A 56 2.338 11.508 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.104 12.523 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.809 12.291 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.034 11.177 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.357 11.001 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.187 9.568 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.782 9.651 0.487 1.00 0.00 H new ATOM 867 N LEU A 57 3.507 7.973 -1.335 1.00 0.00 N ATOM 868 CA LEU A 57 3.920 7.212 -2.501 1.00 0.00 C ATOM 869 C LEU A 57 3.069 7.627 -3.703 1.00 0.00 C ATOM 870 O LEU A 57 1.841 7.598 -3.639 1.00 0.00 O ATOM 871 CB LEU A 57 3.876 5.711 -2.206 1.00 0.00 C ATOM 872 CG LEU A 57 4.632 5.251 -0.957 1.00 0.00 C ATOM 873 CD1 LEU A 57 3.987 4.002 -0.355 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.116 5.040 -1.262 1.00 0.00 C ATOM 0 H LEU A 57 2.780 7.531 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 57 4.957 7.434 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.833 5.411 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.280 5.179 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 57 4.566 6.040 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.543 3.696 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.956 4.222 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.001 3.196 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.630 4.713 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.224 4.280 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.553 5.976 -1.610 1.00 0.00 H new ATOM 886 N GLN A 58 3.756 8.004 -4.772 1.00 0.00 N ATOM 887 CA GLN A 58 3.079 8.424 -5.987 1.00 0.00 C ATOM 888 C GLN A 58 2.347 7.240 -6.623 1.00 0.00 C ATOM 889 O GLN A 58 2.855 6.120 -6.624 1.00 0.00 O ATOM 890 CB GLN A 58 4.063 9.055 -6.973 1.00 0.00 C ATOM 891 CG GLN A 58 4.036 10.581 -6.874 1.00 0.00 C ATOM 892 CD GLN A 58 4.156 11.039 -5.419 1.00 0.00 C ATOM 893 OE1 GLN A 58 5.188 10.905 -4.782 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.045 11.584 -4.930 1.00 0.00 N ATOM 0 H GLN A 58 4.775 8.027 -4.822 1.00 0.00 H new ATOM 0 HA GLN A 58 2.342 9.183 -5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.070 8.692 -6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.813 8.748 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.853 11.001 -7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.109 10.960 -7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.216 11.666 -5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.023 11.920 -3.967 1.00 0.00 H new ATOM 903 N ASP A 59 1.166 7.530 -7.150 1.00 0.00 N ATOM 904 CA ASP A 59 0.360 6.503 -7.788 1.00 0.00 C ATOM 905 C ASP A 59 1.104 5.963 -9.011 1.00 0.00 C ATOM 906 O ASP A 59 1.284 4.754 -9.148 1.00 0.00 O ATOM 907 CB ASP A 59 -0.979 7.071 -8.263 1.00 0.00 C ATOM 908 CG ASP A 59 -0.926 8.510 -8.777 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.570 8.676 -9.964 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.241 9.413 -7.972 1.00 0.00 O ATOM 0 H ASP A 59 0.748 8.461 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 59 0.179 5.714 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.366 6.432 -9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.690 7.022 -7.438 1.00 0.00 H new ATOM 915 N ASP A 60 1.517 6.885 -9.868 1.00 0.00 N ATOM 916 CA ASP A 60 2.238 6.516 -11.074 1.00 0.00 C ATOM 917 C ASP A 60 3.453 5.667 -10.697 1.00 0.00 C ATOM 918 O ASP A 60 3.762 4.685 -11.371 1.00 0.00 O ATOM 919 CB ASP A 60 2.739 7.756 -11.817 1.00 0.00 C ATOM 920 CG ASP A 60 2.278 7.869 -13.272 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.069 8.122 -13.466 1.00 0.00 O ATOM 922 OD2 ASP A 60 3.145 7.700 -14.156 1.00 0.00 O ATOM 0 H ASP A 60 1.366 7.887 -9.751 1.00 0.00 H new ATOM 0 HA ASP A 60 1.556 5.961 -11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.408 8.643 -11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.829 7.758 -11.796 1.00 0.00 H new ATOM 927 N LYS A 61 4.111 6.077 -9.622 1.00 0.00 N ATOM 928 CA LYS A 61 5.286 5.366 -9.148 1.00 0.00 C ATOM 929 C LYS A 61 4.925 3.900 -8.901 1.00 0.00 C ATOM 930 O LYS A 61 3.747 3.551 -8.825 1.00 0.00 O ATOM 931 CB LYS A 61 5.879 6.068 -7.924 1.00 0.00 C ATOM 932 CG LYS A 61 7.073 6.940 -8.318 1.00 0.00 C ATOM 933 CD LYS A 61 8.394 6.225 -8.026 1.00 0.00 C ATOM 934 CE LYS A 61 9.436 7.201 -7.476 1.00 0.00 C ATOM 935 NZ LYS A 61 9.139 7.535 -6.065 1.00 0.00 N ATOM 0 H LYS A 61 3.853 6.892 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 61 6.070 5.378 -9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.116 6.684 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.193 5.325 -7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.015 7.185 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.036 7.882 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.226 5.423 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.770 5.762 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.430 6.761 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.444 8.110 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.018 7.510 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.724 8.487 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.466 6.843 -5.679 1.00 0.00 H new ATOM 949 N LYS A 62 5.959 3.081 -8.782 1.00 0.00 N ATOM 950 CA LYS A 62 5.766 1.660 -8.545 1.00 0.00 C ATOM 951 C LYS A 62 6.407 1.278 -7.210 1.00 0.00 C ATOM 952 O LYS A 62 7.307 1.966 -6.730 1.00 0.00 O ATOM 953 CB LYS A 62 6.282 0.844 -9.732 1.00 0.00 C ATOM 954 CG LYS A 62 5.731 1.386 -11.052 1.00 0.00 C ATOM 955 CD LYS A 62 6.708 1.128 -12.201 1.00 0.00 C ATOM 956 CE LYS A 62 5.961 0.929 -13.521 1.00 0.00 C ATOM 957 NZ LYS A 62 6.862 1.175 -14.669 1.00 0.00 N ATOM 0 H LYS A 62 6.934 3.374 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 62 4.704 1.428 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.372 0.871 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.991 -0.200 -9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.773 0.914 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.546 2.456 -10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.398 1.967 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.308 0.245 -11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.566 -0.085 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.108 1.606 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.339 1.036 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.219 2.151 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.662 0.512 -14.631 1.00 0.00 H new ATOM 971 N LEU A 63 5.920 0.182 -6.648 1.00 0.00 N ATOM 972 CA LEU A 63 6.435 -0.300 -5.377 1.00 0.00 C ATOM 973 C LEU A 63 7.940 -0.546 -5.502 1.00 0.00 C ATOM 974 O LEU A 63 8.732 0.042 -4.768 1.00 0.00 O ATOM 975 CB LEU A 63 5.648 -1.526 -4.910 1.00 0.00 C ATOM 976 CG LEU A 63 4.160 -1.544 -5.268 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.588 -0.126 -5.306 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.921 -2.294 -6.580 1.00 0.00 C ATOM 0 H LEU A 63 5.174 -0.386 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 63 6.298 0.452 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.114 -2.415 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.742 -1.602 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 63 3.627 -2.085 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.529 -0.167 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.706 0.340 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.120 0.461 -6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.856 -2.292 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.468 -1.803 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.269 -3.322 -6.480 1.00 0.00 H new ATOM 990 N GLN A 64 8.289 -1.417 -6.438 1.00 0.00 N ATOM 991 CA GLN A 64 9.685 -1.748 -6.668 1.00 0.00 C ATOM 992 C GLN A 64 10.545 -0.484 -6.621 1.00 0.00 C ATOM 993 O GLN A 64 11.613 -0.478 -6.011 1.00 0.00 O ATOM 994 CB GLN A 64 9.862 -2.482 -7.999 1.00 0.00 C ATOM 995 CG GLN A 64 11.290 -3.008 -8.149 1.00 0.00 C ATOM 996 CD GLN A 64 11.579 -3.405 -9.599 1.00 0.00 C ATOM 997 OE1 GLN A 64 10.685 -3.604 -10.404 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.874 -3.508 -9.884 1.00 0.00 N ATOM 0 H GLN A 64 7.629 -1.903 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 64 10.015 -2.418 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.157 -3.311 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.630 -1.808 -8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.998 -2.244 -7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.435 -3.869 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.571 -3.327 -9.162 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.170 -3.768 -10.825 1.00 0.00 H new ATOM 1007 N GLU A 65 10.047 0.557 -7.272 1.00 0.00 N ATOM 1008 CA GLU A 65 10.757 1.824 -7.312 1.00 0.00 C ATOM 1009 C GLU A 65 11.160 2.252 -5.899 1.00 0.00 C ATOM 1010 O GLU A 65 12.332 2.516 -5.637 1.00 0.00 O ATOM 1011 CB GLU A 65 9.914 2.904 -7.992 1.00 0.00 C ATOM 1012 CG GLU A 65 10.517 3.304 -9.340 1.00 0.00 C ATOM 1013 CD GLU A 65 11.489 4.475 -9.180 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.294 4.418 -8.225 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.405 5.400 -10.016 1.00 0.00 O ATOM 0 H GLU A 65 9.160 0.549 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 65 11.663 1.691 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.898 2.538 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.848 3.779 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.038 2.452 -9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.721 3.580 -10.031 1.00 0.00 H new ATOM 1022 N TYR A 66 10.165 2.306 -5.025 1.00 0.00 N ATOM 1023 CA TYR A 66 10.401 2.697 -3.646 1.00 0.00 C ATOM 1024 C TYR A 66 11.185 1.618 -2.897 1.00 0.00 C ATOM 1025 O TYR A 66 11.671 1.853 -1.792 1.00 0.00 O ATOM 1026 CB TYR A 66 9.018 2.842 -3.007 1.00 0.00 C ATOM 1027 CG TYR A 66 8.256 4.092 -3.450 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.680 5.340 -3.040 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.144 3.972 -4.259 1.00 0.00 C ATOM 1030 CE1 TYR A 66 7.962 6.517 -3.457 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.427 5.149 -4.676 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.871 6.363 -4.255 1.00 0.00 C ATOM 1033 OH TYR A 66 6.193 7.475 -4.649 1.00 0.00 O ATOM 0 H TYR A 66 9.194 2.085 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 66 10.981 3.619 -3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.423 1.961 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.130 2.863 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.550 5.434 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.812 2.995 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.282 7.499 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.556 5.069 -5.309 1.00 0.00 H new ATOM 0 HH TYR A 66 6.813 8.232 -4.709 1.00 0.00 H new ATOM 1043 N ASN A 67 11.284 0.457 -3.528 1.00 0.00 N ATOM 1044 CA ASN A 67 12.001 -0.659 -2.935 1.00 0.00 C ATOM 1045 C ASN A 67 11.329 -1.049 -1.618 1.00 0.00 C ATOM 1046 O ASN A 67 12.002 -1.247 -0.608 1.00 0.00 O ATOM 1047 CB ASN A 67 13.453 -0.282 -2.632 1.00 0.00 C ATOM 1048 CG ASN A 67 14.340 -0.484 -3.861 1.00 0.00 C ATOM 1049 OD1 ASN A 67 13.900 -0.918 -4.913 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.613 -0.146 -3.671 1.00 0.00 N ATOM 0 H ASN A 67 10.879 0.265 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 67 11.984 -1.486 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.503 0.758 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.825 -0.889 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.286 -0.244 -4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.916 0.211 -2.765 1.00 0.00 H new ATOM 1057 N VAL A 68 10.008 -1.149 -1.671 1.00 0.00 N ATOM 1058 CA VAL A 68 9.237 -1.513 -0.495 1.00 0.00 C ATOM 1059 C VAL A 68 9.116 -3.036 -0.420 1.00 0.00 C ATOM 1060 O VAL A 68 8.340 -3.562 0.376 1.00 0.00 O ATOM 1061 CB VAL A 68 7.880 -0.806 -0.519 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.054 0.714 -0.538 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.039 -1.276 -1.708 1.00 0.00 C ATOM 0 H VAL A 68 9.453 -0.984 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 68 9.745 -1.183 0.411 1.00 0.00 H new ATOM 0 HB VAL A 68 7.348 -1.071 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.075 1.192 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.596 1.029 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.615 1.005 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.080 -0.759 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.565 -1.054 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.872 -2.351 -1.633 1.00 0.00 H new ATOM 1073 N GLY A 69 9.895 -3.701 -1.260 1.00 0.00 N ATOM 1074 CA GLY A 69 9.885 -5.154 -1.299 1.00 0.00 C ATOM 1075 C GLY A 69 10.155 -5.741 0.087 1.00 0.00 C ATOM 1076 O GLY A 69 11.219 -5.520 0.664 1.00 0.00 O ATOM 0 H GLY A 69 10.537 -3.261 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.920 -5.505 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.640 -5.508 -2.001 1.00 0.00 H new ATOM 1080 N GLY A 70 9.172 -6.479 0.583 1.00 0.00 N ATOM 1081 CA GLY A 70 9.290 -7.101 1.891 1.00 0.00 C ATOM 1082 C GLY A 70 9.386 -6.044 2.994 1.00 0.00 C ATOM 1083 O GLY A 70 9.681 -6.366 4.143 1.00 0.00 O ATOM 0 H GLY A 70 8.291 -6.660 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.428 -7.743 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.173 -7.739 1.916 1.00 0.00 H new ATOM 1087 N LYS A 71 9.131 -4.804 2.604 1.00 0.00 N ATOM 1088 CA LYS A 71 9.185 -3.697 3.544 1.00 0.00 C ATOM 1089 C LYS A 71 7.787 -3.450 4.115 1.00 0.00 C ATOM 1090 O LYS A 71 6.798 -3.959 3.588 1.00 0.00 O ATOM 1091 CB LYS A 71 9.807 -2.464 2.886 1.00 0.00 C ATOM 1092 CG LYS A 71 11.258 -2.732 2.481 1.00 0.00 C ATOM 1093 CD LYS A 71 12.200 -2.569 3.676 1.00 0.00 C ATOM 1094 CE LYS A 71 13.651 -2.834 3.270 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.158 -4.059 3.929 1.00 0.00 N ATOM 0 H LYS A 71 8.886 -4.541 1.649 1.00 0.00 H new ATOM 0 HA LYS A 71 9.835 -3.943 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.226 -2.184 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.768 -1.621 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.347 -3.741 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.550 -2.045 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.110 -1.561 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.909 -3.257 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.718 -2.942 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.273 -1.982 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.144 -4.224 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.112 -3.942 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.574 -4.872 3.646 1.00 0.00 H new ATOM 1109 N VAL A 72 7.748 -2.669 5.185 1.00 0.00 N ATOM 1110 CA VAL A 72 6.488 -2.349 5.832 1.00 0.00 C ATOM 1111 C VAL A 72 6.104 -0.905 5.504 1.00 0.00 C ATOM 1112 O VAL A 72 6.772 0.033 5.936 1.00 0.00 O ATOM 1113 CB VAL A 72 6.590 -2.613 7.336 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.441 -1.941 8.090 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.634 -4.114 7.627 1.00 0.00 C ATOM 0 H VAL A 72 8.569 -2.249 5.620 1.00 0.00 H new ATOM 0 HA VAL A 72 5.692 -2.991 5.456 1.00 0.00 H new ATOM 0 HB VAL A 72 7.523 -2.176 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.537 -2.144 9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.475 -0.865 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.490 -2.334 7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.707 -4.274 8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.726 -4.584 7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.501 -4.555 7.135 1.00 0.00 H new ATOM 1125 N ILE A 73 5.028 -0.771 4.742 1.00 0.00 N ATOM 1126 CA ILE A 73 4.546 0.543 4.350 1.00 0.00 C ATOM 1127 C ILE A 73 3.512 1.026 5.368 1.00 0.00 C ATOM 1128 O ILE A 73 3.075 0.261 6.227 1.00 0.00 O ATOM 1129 CB ILE A 73 4.027 0.516 2.911 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.940 -0.323 2.015 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.839 1.935 2.370 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.257 -0.643 0.683 1.00 0.00 C ATOM 0 H ILE A 73 4.476 -1.551 4.385 1.00 0.00 H new ATOM 0 HA ILE A 73 5.362 1.266 4.356 1.00 0.00 H new ATOM 0 HB ILE A 73 3.047 0.038 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.870 0.215 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.204 -1.250 2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.469 1.888 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.120 2.469 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.794 2.460 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.927 -1.240 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.340 -1.202 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.017 0.285 0.165 1.00 0.00 H new ATOM 1144 N HIS A 74 3.150 2.294 5.239 1.00 0.00 N ATOM 1145 CA HIS A 74 2.174 2.889 6.138 1.00 0.00 C ATOM 1146 C HIS A 74 0.966 3.374 5.335 1.00 0.00 C ATOM 1147 O HIS A 74 0.986 4.470 4.776 1.00 0.00 O ATOM 1148 CB HIS A 74 2.813 3.998 6.976 1.00 0.00 C ATOM 1149 CG HIS A 74 3.772 3.497 8.029 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.356 3.060 9.275 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.130 3.368 8.009 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.424 2.688 9.965 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.522 2.880 9.180 1.00 0.00 N ATOM 0 H HIS A 74 3.514 2.926 4.526 1.00 0.00 H new ATOM 0 HA HIS A 74 1.819 2.138 6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.343 4.681 6.312 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.024 4.573 7.461 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.776 3.620 7.181 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.425 2.300 10.973 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.486 2.681 9.448 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.059 2.534 5.303 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.274 2.864 4.577 1.00 0.00 C ATOM 1163 C LEU A 75 -2.178 3.719 5.467 1.00 0.00 C ATOM 1164 O LEU A 75 -2.171 3.572 6.688 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.948 1.593 4.057 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.456 1.684 3.816 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.759 2.406 2.502 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.105 0.300 3.872 1.00 0.00 C ATOM 0 H LEU A 75 -0.073 1.626 5.768 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.041 3.459 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.467 1.307 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.762 0.789 4.769 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.894 2.278 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.838 2.457 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.350 3.416 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.306 1.861 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.177 0.393 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.667 -0.339 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.934 -0.142 4.853 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.934 4.594 4.821 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.842 5.473 5.538 1.00 0.00 C ATOM 1182 C VAL A 76 -5.135 5.628 4.736 1.00 0.00 C ATOM 1183 O VAL A 76 -5.103 5.699 3.508 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.155 6.809 5.830 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.951 6.616 6.755 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.744 7.509 4.534 1.00 0.00 C ATOM 0 H VAL A 76 -2.936 4.713 3.808 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.108 5.042 6.503 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.872 7.449 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.481 7.581 6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.282 6.180 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.231 5.949 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.258 8.456 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.052 6.874 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.629 7.697 3.926 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.242 5.677 5.462 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.544 5.823 4.833 1.00 0.00 C ATOM 1198 C GLU A 77 -8.151 7.184 5.178 1.00 0.00 C ATOM 1199 O GLU A 77 -8.196 7.570 6.346 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.481 4.685 5.243 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.813 4.776 4.495 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.979 4.945 5.471 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.892 4.352 6.567 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.931 5.664 5.097 1.00 0.00 O ATOM 0 H GLU A 77 -6.264 5.618 6.480 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.412 5.770 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.007 3.726 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.660 4.725 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.789 5.618 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.961 3.876 3.898 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.601 7.875 4.142 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.204 9.186 4.321 1.00 0.00 C ATOM 1213 C ARG A 78 -10.562 9.056 5.012 1.00 0.00 C ATOM 1214 O ARG A 78 -11.507 8.518 4.436 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.388 9.895 2.978 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.039 10.309 2.387 1.00 0.00 C ATOM 1217 CD ARG A 78 -8.229 11.238 1.186 1.00 0.00 C ATOM 1218 NE ARG A 78 -6.991 11.276 0.375 1.00 0.00 N ATOM 1219 CZ ARG A 78 -6.705 12.237 -0.514 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -7.566 13.244 -0.713 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -5.558 12.191 -1.205 1.00 0.00 N ATOM 0 H ARG A 78 -8.561 7.553 3.175 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.532 9.778 4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.907 9.235 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.017 10.776 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.443 10.811 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.484 9.422 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.063 10.891 0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.480 12.242 1.528 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.314 10.524 0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.440 13.279 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.348 13.975 -1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.902 11.424 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.341 12.923 -1.882 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.618 9.557 6.237 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.845 9.504 7.013 1.00 0.00 C ATOM 1237 C ALA A 79 -12.089 10.865 7.667 1.00 0.00 C ATOM 1238 O ALA A 79 -11.146 11.610 7.929 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.752 8.372 8.039 1.00 0.00 C ATOM 0 H ALA A 79 -9.833 10.002 6.712 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.698 9.291 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.673 8.332 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.608 7.423 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.909 8.553 8.705 1.00 0.00 H new ATOM 1245 N PRO A 80 -13.393 11.156 7.920 1.00 0.00 N ATOM 1246 CA PRO A 80 -13.774 12.414 8.539 1.00 0.00 C ATOM 1247 C PRO A 80 -13.449 12.410 10.034 1.00 0.00 C ATOM 1248 O PRO A 80 -14.350 12.473 10.869 1.00 0.00 O ATOM 1249 CB PRO A 80 -15.259 12.560 8.254 1.00 0.00 C ATOM 1250 CG PRO A 80 -15.753 11.168 7.894 1.00 0.00 C ATOM 1251 CD PRO A 80 -14.537 10.297 7.624 1.00 0.00 C ATOM 0 HA PRO A 80 -13.221 13.264 8.139 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -15.787 12.949 9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.433 13.260 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.348 10.752 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.397 11.207 7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.539 9.408 8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.517 9.954 6.590 1.00 0.00 H new ATOM 1259 N SER A 81 -12.159 12.335 10.327 1.00 0.00 N ATOM 1260 CA SER A 81 -11.704 12.322 11.707 1.00 0.00 C ATOM 1261 C SER A 81 -10.615 13.377 11.909 1.00 0.00 C ATOM 1262 O SER A 81 -10.774 14.290 12.718 1.00 0.00 O ATOM 1263 CB SER A 81 -11.183 10.938 12.102 1.00 0.00 C ATOM 1264 OG SER A 81 -11.309 10.699 13.501 1.00 0.00 O ATOM 0 H SER A 81 -11.414 12.283 9.632 1.00 0.00 H new ATOM 0 HA SER A 81 -12.552 12.558 12.349 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.733 10.174 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.136 10.848 11.812 1.00 0.00 H new ATOM 0 HG SER A 81 -11.278 9.735 13.672 1.00 0.00 H new ATOM 1270 N GLY A 82 -9.534 13.216 11.161 1.00 0.00 N ATOM 1271 CA GLY A 82 -8.419 14.143 11.249 1.00 0.00 C ATOM 1272 C GLY A 82 -7.487 13.773 12.404 1.00 0.00 C ATOM 1273 O GLY A 82 -7.094 12.616 12.544 1.00 0.00 O ATOM 0 H GLY A 82 -9.406 12.457 10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.862 14.137 10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.795 15.156 11.391 1.00 0.00 H new ATOM 1277 N PRO A 83 -7.151 14.805 13.224 1.00 0.00 N ATOM 1278 CA PRO A 83 -6.272 14.600 14.363 1.00 0.00 C ATOM 1279 C PRO A 83 -7.007 13.889 15.502 1.00 0.00 C ATOM 1280 O PRO A 83 -7.682 14.531 16.306 1.00 0.00 O ATOM 1281 CB PRO A 83 -5.791 15.991 14.744 1.00 0.00 C ATOM 1282 CG PRO A 83 -6.773 16.961 14.107 1.00 0.00 C ATOM 1283 CD PRO A 83 -7.596 16.189 13.089 1.00 0.00 C ATOM 0 HA PRO A 83 -5.428 13.950 14.131 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.768 16.113 15.827 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.778 16.167 14.382 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.420 17.402 14.865 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.241 17.781 13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.663 16.283 13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.428 16.562 12.079 1.00 0.00 H new ATOM 1291 N SER A 84 -6.852 12.574 15.534 1.00 0.00 N ATOM 1292 CA SER A 84 -7.492 11.769 16.560 1.00 0.00 C ATOM 1293 C SER A 84 -6.649 10.527 16.853 1.00 0.00 C ATOM 1294 O SER A 84 -6.127 9.896 15.935 1.00 0.00 O ATOM 1295 CB SER A 84 -8.906 11.363 16.139 1.00 0.00 C ATOM 1296 OG SER A 84 -8.896 10.436 15.057 1.00 0.00 O ATOM 0 H SER A 84 -6.292 12.045 14.865 1.00 0.00 H new ATOM 0 HA SER A 84 -7.570 12.369 17.466 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.425 10.921 16.990 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.467 12.252 15.850 1.00 0.00 H new ATOM 0 HG SER A 84 -9.720 10.533 14.536 1.00 0.00 H new ATOM 1302 N SER A 85 -6.541 10.213 18.136 1.00 0.00 N ATOM 1303 CA SER A 85 -5.769 9.058 18.561 1.00 0.00 C ATOM 1304 C SER A 85 -4.405 9.056 17.870 1.00 0.00 C ATOM 1305 O SER A 85 -4.272 8.563 16.751 1.00 0.00 O ATOM 1306 CB SER A 85 -6.517 7.756 18.263 1.00 0.00 C ATOM 1307 OG SER A 85 -6.532 6.880 19.387 1.00 0.00 O ATOM 0 H SER A 85 -6.975 10.738 18.895 1.00 0.00 H new ATOM 0 HA SER A 85 -5.622 9.123 19.639 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.541 7.985 17.968 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.047 7.253 17.418 1.00 0.00 H new ATOM 0 HG SER A 85 -7.020 6.062 19.157 1.00 0.00 H new ATOM 1313 N GLY A 86 -3.424 9.614 18.565 1.00 0.00 N ATOM 1314 CA GLY A 86 -2.074 9.683 18.032 1.00 0.00 C ATOM 1315 C GLY A 86 -1.525 11.109 18.112 1.00 0.00 C ATOM 1316 O GLY A 86 -1.961 11.899 18.948 1.00 0.00 O ATOM 0 H GLY A 86 -3.538 10.022 19.493 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.424 9.008 18.589 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.071 9.346 16.995 1.00 0.00 H new TER 1320 GLY A 86