USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 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 116 ASN : amide:sc= -5.69! C(o=-16!,f=-18!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -10.1! C(o=-16!,f=-26!) USER MOD Set 2.1: A 5 TYR OH : rot 31:sc= 0.325! USER MOD Set 2.2: A 57 TYR OH : rot -105:sc= 0.794 USER MOD Set 3.1: A 7 ASN : amide:sc= -1.03 K(o=-2.4,f=-4.1!) USER MOD Set 3.2: A 10 THR OG1 : rot -172:sc= -1.42 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0974 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.667 USER MOD Single : A 14 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc=0.000464 (180deg=0) USER MOD Single : A 37 TYR OH : rot 39:sc= 0.252 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 40 MET CE :methyl 160:sc= -5.83! (180deg=-8.07!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.354 K(o=-0.35,f=-2.8!) USER MOD Single : A 73 SER OG : rot 7:sc= 1.15 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.0451 (180deg=0.0451) USER MOD Single : A 82 MET CE :methyl -177:sc= -2.06 (180deg=-2.07) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 102 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -34:sc= 1.42 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.292 6.271 29.845 1.00 3.92 N ATOM 2 CA PRO A 1 3.314 7.378 28.850 1.00 3.44 C ATOM 3 C PRO A 1 2.281 8.449 29.214 1.00 3.50 C ATOM 4 O PRO A 1 1.157 8.150 29.570 1.00 4.94 O ATOM 5 CB PRO A 1 2.950 6.698 27.535 1.00 2.00 C ATOM 6 CG PRO A 1 2.180 5.485 27.936 1.00 4.99 C ATOM 7 CD PRO A 1 2.720 5.049 29.272 1.00 3.38 C ATOM 0 H2 PRO A 1 2.747 6.554 30.660 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.241 6.085 30.170 1.00 3.92 H new ATOM 0 HA PRO A 1 4.277 7.887 28.805 1.00 3.44 H new ATOM 0 HB2 PRO A 1 2.353 7.354 26.902 1.00 2.00 H new ATOM 0 HB3 PRO A 1 3.841 6.431 26.967 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.115 5.708 28.004 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.294 4.693 27.196 1.00 4.99 H new ATOM 0 HD2 PRO A 1 1.932 4.643 29.906 1.00 3.38 H new ATOM 0 HD3 PRO A 1 3.474 4.270 29.162 1.00 3.38 H new ATOM 17 N THR A 2 2.655 9.696 29.123 1.00 3.08 N ATOM 18 CA THR A 2 1.700 10.790 29.460 1.00 2.08 C ATOM 19 C THR A 2 1.139 11.412 28.178 1.00 2.52 C ATOM 20 O THR A 2 1.843 11.585 27.202 1.00 2.28 O ATOM 21 CB THR A 2 2.531 11.813 30.236 1.00 3.47 C ATOM 22 OG1 THR A 2 2.830 11.297 31.525 1.00 3.73 O ATOM 23 CG2 THR A 2 1.742 13.116 30.376 1.00 3.09 C ATOM 0 H THR A 2 3.582 10.005 28.829 1.00 3.08 H new ATOM 0 HA THR A 2 0.848 10.434 30.039 1.00 2.08 H new ATOM 0 HB THR A 2 3.459 12.010 29.699 1.00 3.47 H new ATOM 0 HG1 THR A 2 3.364 11.951 32.023 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.336 13.843 30.929 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.514 13.511 29.386 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.813 12.923 30.912 1.00 3.09 H new ATOM 31 N VAL A 3 -0.121 11.750 28.171 1.00 10.00 N ATOM 32 CA VAL A 3 -0.723 12.359 26.951 1.00 10.00 C ATOM 33 C VAL A 3 -1.590 13.561 27.338 1.00 10.00 C ATOM 34 O VAL A 3 -2.668 13.412 27.878 1.00 10.00 O ATOM 35 CB VAL A 3 -1.581 11.251 26.336 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.246 11.771 25.060 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.696 10.049 25.997 1.00 10.00 C ATOM 0 H VAL A 3 -0.760 11.631 28.957 1.00 10.00 H new ATOM 0 HA VAL A 3 0.031 12.722 26.253 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.348 10.947 27.048 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.857 10.983 24.621 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.876 12.627 25.301 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.479 12.074 24.348 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.307 9.260 25.559 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.071 10.352 25.285 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.222 9.679 26.906 1.00 10.00 H new ATOM 47 N GLU A 4 -1.127 14.750 27.067 1.00 10.00 N ATOM 48 CA GLU A 4 -1.926 15.960 27.423 1.00 10.00 C ATOM 49 C GLU A 4 -2.960 16.251 26.332 1.00 10.00 C ATOM 50 O GLU A 4 -2.619 16.545 25.204 1.00 10.00 O ATOM 51 CB GLU A 4 -0.906 17.095 27.511 1.00 50.00 C ATOM 52 CG GLU A 4 -1.418 18.167 28.476 1.00 50.00 C ATOM 53 CD GLU A 4 -0.394 19.300 28.571 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.603 19.232 27.872 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.625 20.217 29.342 1.00 50.00 O ATOM 0 H GLU A 4 -0.232 14.938 26.615 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.476 15.832 28.355 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.054 16.710 27.855 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.741 17.528 26.524 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.375 18.556 28.129 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.588 17.733 29.461 1.00 50.00 H new ATOM 62 N TYR A 5 -4.222 16.169 26.658 1.00 10.00 N ATOM 63 CA TYR A 5 -5.273 16.440 25.634 1.00 10.00 C ATOM 64 C TYR A 5 -5.690 17.914 25.668 1.00 10.00 C ATOM 65 O TYR A 5 -5.711 18.541 26.708 1.00 10.00 O ATOM 66 CB TYR A 5 -6.446 15.540 26.022 1.00 10.00 C ATOM 67 CG TYR A 5 -7.008 15.983 27.350 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.902 17.061 27.410 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.639 15.316 28.524 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.424 17.468 28.643 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.160 15.724 29.757 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.054 16.800 29.816 1.00 50.00 C ATOM 73 OH TYR A 5 -8.568 17.202 31.032 1.00 50.00 O ATOM 0 H TYR A 5 -4.570 15.927 27.586 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.921 16.239 24.622 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.220 15.584 25.256 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.117 14.503 26.083 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.188 17.577 26.505 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.951 14.485 28.478 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.113 18.298 28.689 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.873 15.209 30.662 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.468 17.568 30.902 1.00 50.00 H new ATOM 83 N LEU A 6 -6.021 18.469 24.533 1.00 10.00 N ATOM 84 CA LEU A 6 -6.437 19.902 24.489 1.00 10.00 C ATOM 85 C LEU A 6 -7.635 20.071 23.548 1.00 10.00 C ATOM 86 O LEU A 6 -7.615 19.624 22.421 1.00 10.00 O ATOM 87 CB LEU A 6 -5.220 20.649 23.941 1.00 12.50 C ATOM 88 CG LEU A 6 -4.954 21.895 24.788 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.889 22.757 24.105 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.245 22.703 24.930 1.00 50.00 C ATOM 0 H LEU A 6 -6.021 17.991 23.632 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.741 20.277 25.467 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.346 19.997 23.952 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.393 20.933 22.903 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.603 21.594 25.775 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.699 23.645 24.707 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.968 22.184 24.002 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.242 23.057 23.118 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -6.054 23.590 25.534 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.596 23.004 23.943 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -7.006 22.091 25.415 1.00 50.00 H new ATOM 102 N ASN A 7 -8.678 20.710 23.999 1.00 10.00 N ATOM 103 CA ASN A 7 -9.869 20.900 23.121 1.00 10.00 C ATOM 104 C ASN A 7 -9.502 21.750 21.902 1.00 10.00 C ATOM 105 O ASN A 7 -9.010 22.853 22.029 1.00 10.00 O ATOM 106 CB ASN A 7 -10.887 21.631 23.992 1.00 10.00 C ATOM 107 CG ASN A 7 -12.183 21.832 23.204 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.398 21.197 22.191 1.00 12.50 O ATOM 109 ND2 ASN A 7 -13.062 22.696 23.632 1.00 12.50 N ATOM 0 H ASN A 7 -8.759 21.108 24.935 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.256 19.954 22.742 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.085 21.058 24.898 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.487 22.595 24.306 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.930 22.838 23.116 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.881 23.229 24.483 1.00 12.50 H new ATOM 116 N TYR A 8 -9.746 21.250 20.722 1.00 50.00 N ATOM 117 CA TYR A 8 -9.416 22.036 19.499 1.00 50.00 C ATOM 118 C TYR A 8 -10.221 23.338 19.488 1.00 50.00 C ATOM 119 O TYR A 8 -9.755 24.365 19.034 1.00 50.00 O ATOM 120 CB TYR A 8 -9.825 21.142 18.328 1.00 50.00 C ATOM 121 CG TYR A 8 -9.834 21.955 17.055 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.890 22.838 16.798 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.791 21.825 16.131 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.902 23.591 15.618 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.802 22.578 14.951 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.858 23.462 14.695 1.00 50.00 C ATOM 127 OH TYR A 8 -9.870 24.203 13.531 1.00 50.00 O ATOM 0 H TYR A 8 -10.159 20.333 20.552 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.362 22.308 19.450 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.131 20.307 18.234 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.812 20.717 18.508 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.695 22.938 17.510 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.977 21.143 16.328 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.717 24.271 15.420 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.997 22.477 14.238 1.00 50.00 H new ATOM 0 HH TYR A 8 -9.072 23.994 13.002 1.00 50.00 H new ATOM 137 N GLU A 9 -11.426 23.305 19.990 1.00 25.00 N ATOM 138 CA GLU A 9 -12.259 24.540 20.015 1.00 25.00 C ATOM 139 C GLU A 9 -11.594 25.603 20.891 1.00 25.00 C ATOM 140 O GLU A 9 -11.692 26.787 20.634 1.00 25.00 O ATOM 141 CB GLU A 9 -13.595 24.106 20.618 1.00 50.00 C ATOM 142 CG GLU A 9 -14.721 24.965 20.038 1.00 50.00 C ATOM 143 CD GLU A 9 -14.872 24.668 18.546 1.00 50.00 C ATOM 144 OE1 GLU A 9 -14.089 25.196 17.774 1.00 50.00 O ATOM 145 OE2 GLU A 9 -15.769 23.916 18.200 1.00 50.00 O ATOM 0 H GLU A 9 -11.869 22.475 20.384 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.384 24.976 19.024 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.778 23.053 20.402 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.567 24.209 21.703 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -15.656 24.757 20.558 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.501 26.022 20.189 1.00 50.00 H new ATOM 152 N THR A 10 -10.914 25.188 21.925 1.00 50.00 N ATOM 153 CA THR A 10 -10.237 26.172 22.816 1.00 50.00 C ATOM 154 C THR A 10 -9.209 26.975 22.019 1.00 50.00 C ATOM 155 O THR A 10 -9.056 28.166 22.206 1.00 50.00 O ATOM 156 CB THR A 10 -9.549 25.327 23.889 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.534 24.718 24.711 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.650 26.221 24.744 1.00 50.00 C ATOM 0 H THR A 10 -10.798 24.210 22.191 1.00 50.00 H new ATOM 0 HA THR A 10 -10.933 26.889 23.251 1.00 50.00 H new ATOM 0 HB THR A 10 -8.944 24.555 23.414 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.099 24.280 25.472 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.160 25.619 25.509 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.896 26.689 24.112 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.253 26.993 25.222 1.00 50.00 H new ATOM 166 N LEU A 11 -8.505 26.333 21.127 1.00 50.00 N ATOM 167 CA LEU A 11 -7.491 27.065 20.316 1.00 50.00 C ATOM 168 C LEU A 11 -8.183 28.127 19.458 1.00 50.00 C ATOM 169 O LEU A 11 -7.658 29.199 19.234 1.00 50.00 O ATOM 170 CB LEU A 11 -6.837 26.000 19.433 1.00 50.00 C ATOM 171 CG LEU A 11 -5.801 26.656 18.516 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.937 27.627 19.325 1.00 50.00 C ATOM 173 CD2 LEU A 11 -4.910 25.576 17.899 1.00 50.00 C ATOM 0 H LEU A 11 -8.588 25.337 20.925 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.756 27.579 20.935 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.359 25.242 20.054 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.595 25.492 18.837 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.315 27.202 17.725 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.201 28.092 18.669 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.570 28.398 19.764 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.424 27.083 20.118 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.172 26.042 17.246 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.399 25.029 18.692 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.523 24.886 17.319 1.00 50.00 H new ATOM 185 N ASP A 12 -9.364 27.837 18.982 1.00 50.00 N ATOM 186 CA ASP A 12 -10.096 28.830 18.146 1.00 50.00 C ATOM 187 C ASP A 12 -10.758 29.876 19.045 1.00 50.00 C ATOM 188 O ASP A 12 -10.763 31.055 18.746 1.00 50.00 O ATOM 189 CB ASP A 12 -11.154 28.019 17.397 1.00 50.00 C ATOM 190 CG ASP A 12 -10.473 27.128 16.356 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.406 26.616 16.651 1.00 50.00 O ATOM 192 OD2 ASP A 12 -11.032 26.972 15.283 1.00 50.00 O ATOM 0 H ASP A 12 -9.853 26.955 19.136 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.437 29.364 17.461 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -11.722 27.408 18.098 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.863 28.688 16.910 1.00 50.00 H new ATOM 197 N ASP A 13 -11.315 29.455 20.148 1.00 50.00 N ATOM 198 CA ASP A 13 -11.972 30.425 21.070 1.00 50.00 C ATOM 199 C ASP A 13 -10.941 31.424 21.598 1.00 50.00 C ATOM 200 O ASP A 13 -11.109 32.622 21.490 1.00 50.00 O ATOM 201 CB ASP A 13 -12.526 29.574 22.211 1.00 50.00 C ATOM 202 CG ASP A 13 -13.786 28.846 21.740 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.661 29.506 21.202 1.00 50.00 O ATOM 204 OD2 ASP A 13 -13.855 27.641 21.923 1.00 50.00 O ATOM 0 H ASP A 13 -11.343 28.481 20.451 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.754 31.002 20.577 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -11.777 28.853 22.537 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.757 30.204 23.070 1.00 50.00 H new ATOM 209 N GLN A 14 -9.872 30.938 22.169 1.00 50.00 N ATOM 210 CA GLN A 14 -8.829 31.859 22.703 1.00 50.00 C ATOM 211 C GLN A 14 -8.112 32.568 21.550 1.00 50.00 C ATOM 212 O GLN A 14 -7.417 33.546 21.747 1.00 50.00 O ATOM 213 CB GLN A 14 -7.858 30.956 23.465 1.00 50.00 C ATOM 214 CG GLN A 14 -8.635 30.115 24.482 1.00 50.00 C ATOM 215 CD GLN A 14 -8.291 30.583 25.897 1.00 50.00 C ATOM 216 OE1 GLN A 14 -9.165 30.955 26.656 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.047 30.579 26.289 1.00 50.00 N ATOM 0 H GLN A 14 -9.676 29.944 22.288 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.249 32.636 23.342 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -7.327 30.306 22.770 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.107 31.560 23.974 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -9.707 30.210 24.306 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -8.385 29.060 24.365 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -6.313 30.267 25.653 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -6.808 30.888 27.231 1.00 50.00 H new ATOM 226 N GLY A 15 -8.275 32.083 20.349 1.00 50.00 N ATOM 227 CA GLY A 15 -7.603 32.731 19.187 1.00 50.00 C ATOM 228 C GLY A 15 -6.086 32.674 19.381 1.00 50.00 C ATOM 229 O GLY A 15 -5.368 33.583 19.015 1.00 50.00 O ATOM 0 H GLY A 15 -8.844 31.267 20.123 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.882 32.225 18.263 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.930 33.767 19.095 1.00 50.00 H new ATOM 233 N TRP A 16 -5.595 31.611 19.958 1.00 50.00 N ATOM 234 CA TRP A 16 -4.125 31.491 20.180 1.00 50.00 C ATOM 235 C TRP A 16 -3.464 30.782 18.995 1.00 50.00 C ATOM 236 O TRP A 16 -4.126 30.336 18.078 1.00 50.00 O ATOM 237 CB TRP A 16 -3.991 30.655 21.452 1.00 50.00 C ATOM 238 CG TRP A 16 -3.540 31.525 22.582 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.846 31.095 23.660 1.00 50.00 C ATOM 240 CD2 TRP A 16 -3.738 32.959 22.769 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.602 32.170 24.493 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.131 33.340 23.990 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.376 33.957 22.007 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.156 34.661 24.437 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.403 35.287 22.456 1.00 50.00 C ATOM 246 CH2 TRP A 16 -3.794 35.638 23.669 1.00 50.00 C ATOM 0 H TRP A 16 -6.149 30.819 20.286 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.638 32.462 20.274 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.947 30.191 21.696 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.276 29.847 21.294 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.533 30.077 23.840 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.092 32.106 25.374 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -4.848 33.697 21.071 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -2.685 34.927 25.372 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -4.896 36.044 21.864 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -3.818 36.663 24.009 1.00 50.00 H new ATOM 257 N ASP A 17 -2.163 30.677 19.002 1.00 50.00 N ATOM 258 CA ASP A 17 -1.463 29.998 17.874 1.00 50.00 C ATOM 259 C ASP A 17 -1.459 28.482 18.086 1.00 50.00 C ATOM 260 O ASP A 17 -1.966 27.982 19.071 1.00 50.00 O ATOM 261 CB ASP A 17 -0.037 30.548 17.902 1.00 50.00 C ATOM 262 CG ASP A 17 0.052 31.778 16.997 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.835 31.951 16.176 1.00 50.00 O ATOM 264 OD2 ASP A 17 1.006 32.526 17.138 1.00 50.00 O ATOM 0 H ASP A 17 -1.555 31.032 19.740 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.951 30.182 16.917 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.242 30.812 18.922 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.665 29.785 17.567 1.00 50.00 H new ATOM 269 N MET A 18 -0.893 27.747 17.169 1.00 50.00 N ATOM 270 CA MET A 18 -0.860 26.263 17.317 1.00 50.00 C ATOM 271 C MET A 18 0.198 25.854 18.344 1.00 50.00 C ATOM 272 O MET A 18 -0.047 25.038 19.210 1.00 50.00 O ATOM 273 CB MET A 18 -0.492 25.736 15.930 1.00 50.00 C ATOM 274 CG MET A 18 -0.866 24.256 15.832 1.00 50.00 C ATOM 275 SD MET A 18 0.321 23.402 14.765 1.00 50.00 S ATOM 276 CE MET A 18 -0.483 23.778 13.188 1.00 50.00 C ATOM 0 H MET A 18 -0.452 28.109 16.324 1.00 50.00 H new ATOM 0 HA MET A 18 -1.811 25.863 17.668 1.00 50.00 H new ATOM 0 HB2 MET A 18 -1.015 26.306 15.162 1.00 50.00 H new ATOM 0 HB3 MET A 18 0.575 25.865 15.751 1.00 50.00 H new ATOM 0 HG2 MET A 18 -0.870 23.805 16.824 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.874 24.151 15.430 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.092 23.338 12.373 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.491 23.364 13.186 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.534 24.859 13.054 1.00 50.00 H new ATOM 286 N ASP A 19 1.376 26.410 18.253 1.00 50.00 N ATOM 287 CA ASP A 19 2.448 26.045 19.223 1.00 50.00 C ATOM 288 C ASP A 19 3.168 27.300 19.723 1.00 50.00 C ATOM 289 O ASP A 19 4.124 27.222 20.468 1.00 50.00 O ATOM 290 CB ASP A 19 3.409 25.158 18.432 1.00 50.00 C ATOM 291 CG ASP A 19 3.808 25.869 17.137 1.00 50.00 C ATOM 292 OD1 ASP A 19 3.087 25.728 16.162 1.00 50.00 O ATOM 293 OD2 ASP A 19 4.826 26.540 17.141 1.00 50.00 O ATOM 0 H ASP A 19 1.642 27.100 17.550 1.00 50.00 H new ATOM 0 HA ASP A 19 2.051 25.539 20.103 1.00 50.00 H new ATOM 0 HB2 ASP A 19 4.295 24.941 19.028 1.00 50.00 H new ATOM 0 HB3 ASP A 19 2.936 24.203 18.204 1.00 50.00 H new ATOM 298 N ASP A 20 2.722 28.456 19.316 1.00 50.00 N ATOM 299 CA ASP A 20 3.389 29.710 19.769 1.00 50.00 C ATOM 300 C ASP A 20 3.031 30.004 21.229 1.00 50.00 C ATOM 301 O ASP A 20 3.892 30.221 22.058 1.00 50.00 O ATOM 302 CB ASP A 20 2.847 30.804 18.849 1.00 50.00 C ATOM 303 CG ASP A 20 3.982 31.754 18.461 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.448 32.475 19.329 1.00 50.00 O ATOM 305 OD2 ASP A 20 4.368 31.742 17.304 1.00 50.00 O ATOM 0 H ASP A 20 1.927 28.587 18.691 1.00 50.00 H new ATOM 0 HA ASP A 20 4.476 29.640 19.719 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.410 30.359 17.955 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.053 31.356 19.351 1.00 50.00 H new ATOM 310 N ASP A 21 1.766 30.015 21.551 1.00 50.00 N ATOM 311 CA ASP A 21 1.358 30.297 22.959 1.00 50.00 C ATOM 312 C ASP A 21 1.516 29.044 23.824 1.00 50.00 C ATOM 313 O ASP A 21 1.273 29.067 25.015 1.00 50.00 O ATOM 314 CB ASP A 21 -0.113 30.704 22.871 1.00 50.00 C ATOM 315 CG ASP A 21 -0.214 32.176 22.463 1.00 50.00 C ATOM 316 OD1 ASP A 21 -0.180 32.443 21.273 1.00 50.00 O ATOM 317 OD2 ASP A 21 -0.326 33.008 23.348 1.00 50.00 O ATOM 0 H ASP A 21 0.998 29.841 20.902 1.00 50.00 H new ATOM 0 HA ASP A 21 1.972 31.074 23.415 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.631 30.078 22.144 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.602 30.548 23.832 1.00 50.00 H new ATOM 322 N ASP A 22 1.918 27.950 23.239 1.00 50.00 N ATOM 323 CA ASP A 22 2.084 26.700 24.034 1.00 50.00 C ATOM 324 C ASP A 22 0.841 26.458 24.894 1.00 50.00 C ATOM 325 O ASP A 22 0.928 26.256 26.089 1.00 50.00 O ATOM 326 CB ASP A 22 3.309 26.948 24.915 1.00 50.00 C ATOM 327 CG ASP A 22 4.517 27.269 24.034 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.413 28.180 23.229 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.526 26.598 24.178 1.00 50.00 O ATOM 0 H ASP A 22 2.139 27.867 22.247 1.00 50.00 H new ATOM 0 HA ASP A 22 2.212 25.820 23.403 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.116 27.774 25.600 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.515 26.069 25.526 1.00 50.00 H new ATOM 334 N LEU A 23 -0.314 26.479 24.290 1.00 50.00 N ATOM 335 CA LEU A 23 -1.570 26.253 25.064 1.00 50.00 C ATOM 336 C LEU A 23 -1.375 25.120 26.077 1.00 50.00 C ATOM 337 O LEU A 23 -1.723 25.243 27.235 1.00 50.00 O ATOM 338 CB LEU A 23 -2.613 25.858 24.019 1.00 50.00 C ATOM 339 CG LEU A 23 -2.874 27.040 23.085 1.00 50.00 C ATOM 340 CD1 LEU A 23 -2.131 26.823 21.766 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.375 27.149 22.811 1.00 50.00 C ATOM 0 H LEU A 23 -0.444 26.643 23.292 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.869 27.136 25.629 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.262 24.999 23.447 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.539 25.557 24.510 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.521 27.958 23.554 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.317 27.666 21.100 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -1.061 26.743 21.960 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -2.484 25.905 21.296 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.563 27.991 22.145 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.727 26.230 22.342 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.906 27.303 23.750 1.00 50.00 H new ATOM 353 N PHE A 24 -0.816 24.021 25.651 1.00 50.00 N ATOM 354 CA PHE A 24 -0.594 22.884 26.587 1.00 50.00 C ATOM 355 C PHE A 24 0.086 23.388 27.859 1.00 50.00 C ATOM 356 O PHE A 24 -0.001 22.783 28.908 1.00 50.00 O ATOM 357 CB PHE A 24 0.328 21.924 25.835 1.00 50.00 C ATOM 358 CG PHE A 24 -0.483 21.090 24.873 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.410 20.160 25.360 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.305 21.244 23.493 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.159 19.385 24.468 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.055 20.469 22.600 1.00 50.00 C ATOM 363 CZ PHE A 24 -1.982 19.540 23.087 1.00 50.00 C ATOM 0 H PHE A 24 -0.503 23.861 24.693 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.525 22.402 26.885 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.089 22.485 25.293 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.850 21.278 26.541 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.547 20.041 26.425 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.411 21.960 23.117 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.873 18.668 24.844 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -0.918 20.588 21.535 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.561 18.943 22.398 1.00 50.00 H new ATOM 373 N GLU A 25 0.765 24.497 27.766 1.00 50.00 N ATOM 374 CA GLU A 25 1.460 25.050 28.965 1.00 50.00 C ATOM 375 C GLU A 25 0.701 26.266 29.503 1.00 50.00 C ATOM 376 O GLU A 25 0.461 26.385 30.688 1.00 50.00 O ATOM 377 CB GLU A 25 2.847 25.455 28.465 1.00 50.00 C ATOM 378 CG GLU A 25 3.673 24.198 28.185 1.00 50.00 C ATOM 379 CD GLU A 25 5.088 24.599 27.764 1.00 50.00 C ATOM 380 OE1 GLU A 25 5.923 24.755 28.638 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.311 24.741 26.572 1.00 50.00 O ATOM 0 H GLU A 25 0.870 25.045 26.912 1.00 50.00 H new ATOM 0 HA GLU A 25 1.517 24.329 29.781 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.758 26.055 27.559 1.00 50.00 H new ATOM 0 HB3 GLU A 25 3.348 26.074 29.209 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.711 23.570 29.075 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.202 23.608 27.399 1.00 50.00 H new ATOM 388 N LYS A 26 0.320 27.171 28.643 1.00 50.00 N ATOM 389 CA LYS A 26 -0.423 28.377 29.111 1.00 50.00 C ATOM 390 C LYS A 26 -1.822 27.980 29.591 1.00 50.00 C ATOM 391 O LYS A 26 -2.446 28.682 30.362 1.00 50.00 O ATOM 392 CB LYS A 26 -0.515 29.286 27.884 1.00 50.00 C ATOM 393 CG LYS A 26 -1.031 30.663 28.309 1.00 50.00 C ATOM 394 CD LYS A 26 0.150 31.625 28.452 1.00 50.00 C ATOM 395 CE LYS A 26 0.057 32.709 27.375 1.00 50.00 C ATOM 396 NZ LYS A 26 1.056 32.310 26.343 1.00 50.00 N ATOM 0 H LYS A 26 0.490 27.128 27.638 1.00 50.00 H new ATOM 0 HA LYS A 26 0.073 28.870 29.947 1.00 50.00 H new ATOM 0 HB2 LYS A 26 0.464 29.381 27.414 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.183 28.848 27.142 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -1.737 31.043 27.570 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -1.569 30.587 29.254 1.00 50.00 H new ATOM 0 HD2 LYS A 26 0.145 32.080 29.443 1.00 50.00 H new ATOM 0 HD3 LYS A 26 1.090 31.081 28.356 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -0.947 32.762 26.954 1.00 50.00 H new ATOM 0 HE3 LYS A 26 0.283 33.693 27.784 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 0.812 32.753 25.434 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 2.003 32.623 26.637 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 1.051 31.275 26.237 1.00 50.00 H new ATOM 410 N ALA A 27 -2.318 26.860 29.141 1.00 50.00 N ATOM 411 CA ALA A 27 -3.675 26.419 29.571 1.00 50.00 C ATOM 412 C ALA A 27 -3.680 26.102 31.069 1.00 50.00 C ATOM 413 O ALA A 27 -4.638 26.369 31.766 1.00 50.00 O ATOM 414 CB ALA A 27 -3.958 25.159 28.752 1.00 50.00 C ATOM 0 H ALA A 27 -1.842 26.231 28.494 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.431 27.188 29.410 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -4.943 24.770 29.011 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -3.931 25.402 27.690 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.202 24.405 28.971 1.00 50.00 H new ATOM 420 N ALA A 28 -2.616 25.535 31.570 1.00 50.00 N ATOM 421 CA ALA A 28 -2.565 25.206 33.023 1.00 50.00 C ATOM 422 C ALA A 28 -2.719 26.480 33.856 1.00 50.00 C ATOM 423 O ALA A 28 -3.171 26.447 34.983 1.00 50.00 O ATOM 424 CB ALA A 28 -1.186 24.583 33.243 1.00 50.00 C ATOM 0 H ALA A 28 -1.782 25.286 31.038 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.367 24.531 33.322 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.072 24.313 34.293 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.088 23.690 32.626 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.414 25.301 32.967 1.00 50.00 H new ATOM 430 N ASP A 29 -2.350 27.605 33.306 1.00 50.00 N ATOM 431 CA ASP A 29 -2.477 28.884 34.063 1.00 50.00 C ATOM 432 C ASP A 29 -3.911 29.407 33.969 1.00 50.00 C ATOM 433 O ASP A 29 -4.450 29.950 34.913 1.00 50.00 O ATOM 434 CB ASP A 29 -1.509 29.848 33.378 1.00 50.00 C ATOM 435 CG ASP A 29 -1.004 30.873 34.395 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.054 30.580 35.579 1.00 50.00 O ATOM 437 OD2 ASP A 29 -0.575 31.934 33.974 1.00 50.00 O ATOM 0 H ASP A 29 -1.966 27.694 32.365 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.249 28.764 35.122 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.670 29.297 32.954 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -2.008 30.355 32.552 1.00 50.00 H new ATOM 442 N ALA A 30 -4.532 29.242 32.835 1.00 50.00 N ATOM 443 CA ALA A 30 -5.933 29.726 32.672 1.00 50.00 C ATOM 444 C ALA A 30 -6.899 28.809 33.428 1.00 50.00 C ATOM 445 O ALA A 30 -8.049 29.141 33.635 1.00 50.00 O ATOM 446 CB ALA A 30 -6.202 29.661 31.169 1.00 50.00 C ATOM 0 H ALA A 30 -4.130 28.792 32.012 1.00 50.00 H new ATOM 0 HA ALA A 30 -6.071 30.732 33.068 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.217 30.003 30.966 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.492 30.301 30.644 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.089 28.633 30.823 1.00 50.00 H new ATOM 452 N GLY A 31 -6.441 27.658 33.838 1.00 50.00 N ATOM 453 CA GLY A 31 -7.335 26.723 34.576 1.00 50.00 C ATOM 454 C GLY A 31 -8.537 26.378 33.697 1.00 50.00 C ATOM 455 O GLY A 31 -9.653 26.266 34.166 1.00 50.00 O ATOM 0 H GLY A 31 -5.488 27.325 33.694 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.792 25.816 34.843 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.670 27.180 35.507 1.00 50.00 H new ATOM 459 N LEU A 32 -8.318 26.212 32.421 1.00 50.00 N ATOM 460 CA LEU A 32 -9.446 25.876 31.506 1.00 50.00 C ATOM 461 C LEU A 32 -10.246 24.692 32.054 1.00 50.00 C ATOM 462 O LEU A 32 -9.981 24.196 33.131 1.00 50.00 O ATOM 463 CB LEU A 32 -8.781 25.510 30.178 1.00 50.00 C ATOM 464 CG LEU A 32 -8.649 26.765 29.312 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.646 26.507 28.187 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.011 27.113 28.711 1.00 50.00 C ATOM 0 H LEU A 32 -7.406 26.295 31.972 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.148 26.703 31.397 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.798 25.075 30.359 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.373 24.757 29.658 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.299 27.595 29.926 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.553 27.401 27.571 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -6.675 26.258 28.615 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -7.995 25.677 27.572 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.919 28.007 28.094 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -10.361 26.283 28.097 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.726 27.298 29.513 1.00 50.00 H new ATOM 478 N ASP A 33 -11.225 24.237 31.322 1.00 50.00 N ATOM 479 CA ASP A 33 -12.047 23.087 31.801 1.00 50.00 C ATOM 480 C ASP A 33 -11.250 21.782 31.699 1.00 50.00 C ATOM 481 O ASP A 33 -10.240 21.710 31.027 1.00 50.00 O ATOM 482 CB ASP A 33 -13.255 23.051 30.865 1.00 50.00 C ATOM 483 CG ASP A 33 -14.527 22.815 31.683 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.447 22.111 32.676 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.558 23.345 31.303 1.00 50.00 O ATOM 0 H ASP A 33 -11.493 24.611 30.412 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.340 23.196 32.845 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.332 23.990 30.316 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.133 22.259 30.126 1.00 50.00 H new ATOM 490 N GLY A 34 -11.700 20.751 32.362 1.00 50.00 N ATOM 491 CA GLY A 34 -10.973 19.451 32.304 1.00 50.00 C ATOM 492 C GLY A 34 -11.472 18.643 31.105 1.00 50.00 C ATOM 493 O GLY A 34 -10.786 17.777 30.599 1.00 50.00 O ATOM 0 H GLY A 34 -12.540 20.753 32.941 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.900 19.625 32.218 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.132 18.891 33.226 1.00 50.00 H new ATOM 497 N GLU A 35 -12.662 18.919 30.646 1.00 50.00 N ATOM 498 CA GLU A 35 -13.204 18.168 29.477 1.00 50.00 C ATOM 499 C GLU A 35 -12.609 18.719 28.177 1.00 50.00 C ATOM 500 O GLU A 35 -12.984 18.319 27.092 1.00 50.00 O ATOM 501 CB GLU A 35 -14.713 18.408 29.519 1.00 50.00 C ATOM 502 CG GLU A 35 -15.227 18.192 30.946 1.00 50.00 C ATOM 503 CD GLU A 35 -16.400 17.210 30.921 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.447 17.582 30.417 1.00 50.00 O ATOM 505 OE2 GLU A 35 -16.232 16.104 31.407 1.00 50.00 O ATOM 0 H GLU A 35 -13.283 19.632 31.029 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.959 17.107 29.516 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.940 19.422 29.189 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -15.219 17.729 28.833 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.427 17.804 31.577 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -15.543 19.142 31.378 1.00 50.00 H new ATOM 512 N ASP A 36 -11.688 19.636 28.281 1.00 50.00 N ATOM 513 CA ASP A 36 -11.066 20.222 27.058 1.00 50.00 C ATOM 514 C ASP A 36 -9.540 20.157 27.165 1.00 50.00 C ATOM 515 O ASP A 36 -8.857 19.767 26.239 1.00 50.00 O ATOM 516 CB ASP A 36 -11.539 21.676 27.045 1.00 50.00 C ATOM 517 CG ASP A 36 -12.988 21.738 26.559 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.478 20.725 26.087 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.583 22.798 26.665 1.00 50.00 O ATOM 0 H ASP A 36 -11.337 20.007 29.164 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.345 19.690 26.149 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.461 22.104 28.045 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.900 22.271 26.393 1.00 50.00 H new ATOM 524 N TYR A 37 -9.004 20.538 28.292 1.00 12.50 N ATOM 525 CA TYR A 37 -7.524 20.501 28.467 1.00 12.50 C ATOM 526 C TYR A 37 -7.168 19.737 29.746 1.00 12.50 C ATOM 527 O TYR A 37 -7.874 19.797 30.732 1.00 12.50 O ATOM 528 CB TYR A 37 -7.106 21.970 28.574 1.00 12.50 C ATOM 529 CG TYR A 37 -5.737 22.068 29.205 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.627 21.503 28.567 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.579 22.727 30.432 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.359 21.595 29.155 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.311 22.818 31.018 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.202 22.252 30.380 1.00 12.50 C ATOM 535 OH TYR A 37 -1.953 22.343 30.958 1.00 50.00 O ATOM 0 H TYR A 37 -9.528 20.874 29.100 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.016 19.995 27.646 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.094 22.427 27.585 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.832 22.522 29.171 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.748 20.996 27.621 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.435 23.164 30.925 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.503 21.159 28.663 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.189 23.326 31.963 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.282 22.508 30.263 1.00 50.00 H new ATOM 545 N GLY A 38 -6.078 19.020 29.737 1.00 10.00 N ATOM 546 CA GLY A 38 -5.678 18.256 30.951 1.00 10.00 C ATOM 547 C GLY A 38 -4.628 17.211 30.570 1.00 10.00 C ATOM 548 O GLY A 38 -4.505 16.831 29.422 1.00 10.00 O ATOM 0 H GLY A 38 -5.447 18.931 28.941 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.276 18.933 31.705 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.548 17.769 31.391 1.00 10.00 H new ATOM 552 N THR A 39 -3.871 16.742 31.523 1.00 10.00 N ATOM 553 CA THR A 39 -2.829 15.722 31.213 1.00 10.00 C ATOM 554 C THR A 39 -3.432 14.316 31.280 1.00 10.00 C ATOM 555 O THR A 39 -3.825 13.848 32.329 1.00 10.00 O ATOM 556 CB THR A 39 -1.763 15.903 32.293 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.763 17.254 32.732 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.390 15.549 31.719 1.00 50.00 C ATOM 0 H THR A 39 -3.928 17.020 32.503 1.00 10.00 H new ATOM 0 HA THR A 39 -2.416 15.843 30.212 1.00 10.00 H new ATOM 0 HB THR A 39 -1.981 15.247 33.136 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.081 17.372 33.426 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.371 15.678 32.489 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.393 14.512 31.382 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.168 16.204 30.876 1.00 50.00 H new ATOM 566 N MET A 40 -3.508 13.639 30.166 1.00 10.00 N ATOM 567 CA MET A 40 -4.086 12.264 30.169 1.00 10.00 C ATOM 568 C MET A 40 -2.986 11.230 30.424 1.00 10.00 C ATOM 569 O MET A 40 -2.600 10.489 29.541 1.00 10.00 O ATOM 570 CB MET A 40 -4.685 12.078 28.774 1.00 10.00 C ATOM 571 CG MET A 40 -6.119 11.559 28.899 1.00 10.00 C ATOM 572 SD MET A 40 -6.849 11.405 27.250 1.00 12.50 S ATOM 573 CE MET A 40 -7.306 9.658 27.366 1.00 50.00 C ATOM 0 H MET A 40 -3.196 13.977 29.256 1.00 10.00 H new ATOM 0 HA MET A 40 -4.834 12.133 30.951 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.675 13.024 28.233 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.082 11.376 28.198 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.125 10.593 29.403 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.712 12.240 29.509 1.00 10.00 H new ATOM 0 HE1 MET A 40 -8.073 9.433 26.625 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.428 9.039 27.179 1.00 50.00 H new ATOM 0 HE3 MET A 40 -7.692 9.448 28.363 1.00 50.00 H new ATOM 583 N GLU A 41 -2.475 11.176 31.624 1.00 10.00 N ATOM 584 CA GLU A 41 -1.399 10.190 31.932 1.00 10.00 C ATOM 585 C GLU A 41 -1.993 8.787 32.069 1.00 10.00 C ATOM 586 O GLU A 41 -2.774 8.519 32.960 1.00 10.00 O ATOM 587 CB GLU A 41 -0.807 10.651 33.264 1.00 10.00 C ATOM 588 CG GLU A 41 -0.234 12.062 33.109 1.00 10.00 C ATOM 589 CD GLU A 41 -0.128 12.723 34.485 1.00 12.50 C ATOM 590 OE1 GLU A 41 -0.982 12.458 35.315 1.00 12.50 O ATOM 591 OE2 GLU A 41 0.806 13.483 34.686 1.00 12.50 O ATOM 0 H GLU A 41 -2.755 11.771 32.404 1.00 10.00 H new ATOM 0 HA GLU A 41 -0.646 10.143 31.146 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.575 10.642 34.038 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.025 9.963 33.584 1.00 10.00 H new ATOM 0 HG2 GLU A 41 0.748 12.018 32.638 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -0.874 12.656 32.456 1.00 10.00 H new ATOM 598 N VAL A 42 -1.627 7.889 31.197 1.00 10.00 N ATOM 599 CA VAL A 42 -2.174 6.503 31.286 1.00 10.00 C ATOM 600 C VAL A 42 -1.044 5.478 31.161 1.00 10.00 C ATOM 601 O VAL A 42 -0.045 5.717 30.513 1.00 10.00 O ATOM 602 CB VAL A 42 -3.147 6.377 30.112 1.00 10.00 C ATOM 603 CG1 VAL A 42 -4.255 7.424 30.253 1.00 10.00 C ATOM 604 CG2 VAL A 42 -2.398 6.600 28.796 1.00 10.00 C ATOM 0 H VAL A 42 -0.976 8.052 30.429 1.00 10.00 H new ATOM 0 HA VAL A 42 -2.666 6.318 32.241 1.00 10.00 H new ATOM 0 HB VAL A 42 -3.586 5.379 30.112 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -4.949 7.335 29.417 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -4.791 7.263 31.188 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.815 8.421 30.255 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.094 6.510 27.962 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -1.956 7.596 28.793 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -1.611 5.853 28.694 1.00 10.00 H new ATOM 614 N ALA A 43 -1.194 4.338 31.779 1.00 10.00 N ATOM 615 CA ALA A 43 -0.127 3.300 31.697 1.00 10.00 C ATOM 616 C ALA A 43 0.041 2.823 30.251 1.00 10.00 C ATOM 617 O ALA A 43 -0.865 2.918 29.446 1.00 10.00 O ATOM 618 CB ALA A 43 -0.617 2.155 32.584 1.00 50.00 C ATOM 0 H ALA A 43 -2.008 4.081 32.337 1.00 10.00 H new ATOM 0 HA ALA A 43 0.842 3.681 32.020 1.00 10.00 H new ATOM 0 HB1 ALA A 43 0.117 1.349 32.576 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -0.749 2.516 33.604 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -1.569 1.783 32.205 1.00 50.00 H new ATOM 624 N GLU A 44 1.194 2.312 29.917 1.00 10.00 N ATOM 625 CA GLU A 44 1.422 1.830 28.523 1.00 10.00 C ATOM 626 C GLU A 44 0.438 0.709 28.185 1.00 10.00 C ATOM 627 O GLU A 44 0.476 -0.361 28.759 1.00 10.00 O ATOM 628 CB GLU A 44 2.859 1.306 28.517 1.00 10.00 C ATOM 629 CG GLU A 44 3.216 0.805 27.118 1.00 10.00 C ATOM 630 CD GLU A 44 3.973 -0.520 27.230 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.533 -1.369 27.988 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.982 -0.663 26.558 1.00 25.00 O ATOM 0 H GLU A 44 1.989 2.207 30.548 1.00 10.00 H new ATOM 0 HA GLU A 44 1.272 2.616 27.783 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.546 2.097 28.818 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.965 0.499 29.242 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.311 0.670 26.526 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.828 1.544 26.601 1.00 10.00 H new ATOM 639 N GLY A 45 -0.450 0.950 27.259 1.00 10.00 N ATOM 640 CA GLY A 45 -1.441 -0.097 26.886 1.00 10.00 C ATOM 641 C GLY A 45 -2.840 0.359 27.308 1.00 10.00 C ATOM 642 O GLY A 45 -3.804 -0.372 27.191 1.00 10.00 O ATOM 0 H GLY A 45 -0.531 1.827 26.745 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.413 -0.275 25.811 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.191 -1.040 27.372 1.00 10.00 H new ATOM 646 N GLU A 46 -2.958 1.563 27.799 1.00 10.00 N ATOM 647 CA GLU A 46 -4.295 2.066 28.228 1.00 10.00 C ATOM 648 C GLU A 46 -5.019 2.714 27.045 1.00 10.00 C ATOM 649 O GLU A 46 -4.649 3.777 26.588 1.00 10.00 O ATOM 650 CB GLU A 46 -3.997 3.106 29.307 1.00 10.00 C ATOM 651 CG GLU A 46 -4.912 2.870 30.510 1.00 10.00 C ATOM 652 CD GLU A 46 -4.261 1.854 31.453 1.00 10.00 C ATOM 653 OE1 GLU A 46 -4.106 0.714 31.047 1.00 10.00 O ATOM 654 OE2 GLU A 46 -3.930 2.234 32.564 1.00 10.00 O ATOM 0 H GLU A 46 -2.187 2.220 27.922 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.939 1.268 28.597 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.953 3.040 29.612 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.150 4.110 28.911 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -5.090 3.808 31.035 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -5.883 2.503 30.176 1.00 10.00 H new ATOM 661 N TYR A 47 -6.045 2.083 26.547 1.00 10.00 N ATOM 662 CA TYR A 47 -6.788 2.669 25.394 1.00 10.00 C ATOM 663 C TYR A 47 -7.159 4.124 25.695 1.00 10.00 C ATOM 664 O TYR A 47 -7.961 4.406 26.563 1.00 10.00 O ATOM 665 CB TYR A 47 -8.041 1.805 25.252 1.00 10.00 C ATOM 666 CG TYR A 47 -7.666 0.481 24.631 1.00 10.00 C ATOM 667 CD1 TYR A 47 -7.068 0.446 23.366 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.915 -0.712 25.320 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.719 -0.781 22.790 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.566 -1.940 24.744 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.968 -1.974 23.479 1.00 10.00 C ATOM 672 OH TYR A 47 -6.624 -3.184 22.910 1.00 10.00 O ATOM 0 H TYR A 47 -6.401 1.190 26.886 1.00 10.00 H new ATOM 0 HA TYR A 47 -6.198 2.677 24.477 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.499 1.645 26.228 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.780 2.314 24.633 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.876 1.366 22.834 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.376 -0.685 26.296 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -6.258 -0.807 21.814 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.758 -2.860 25.276 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.864 -3.912 23.520 1.00 10.00 H new ATOM 682 N ILE A 48 -6.573 5.051 24.985 1.00 10.00 N ATOM 683 CA ILE A 48 -6.881 6.490 25.227 1.00 10.00 C ATOM 684 C ILE A 48 -8.382 6.693 25.446 1.00 10.00 C ATOM 685 O ILE A 48 -8.830 6.925 26.552 1.00 10.00 O ATOM 686 CB ILE A 48 -6.419 7.211 23.959 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.890 7.207 23.899 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.926 8.654 23.978 1.00 10.00 C ATOM 689 CD1 ILE A 48 -4.329 7.939 25.119 1.00 10.00 C ATOM 0 H ILE A 48 -5.893 4.873 24.246 1.00 10.00 H new ATOM 0 HA ILE A 48 -6.384 6.870 26.119 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.818 6.699 23.084 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.519 6.182 23.874 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.550 7.691 22.983 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.597 9.167 23.075 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -8.015 8.656 24.020 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -6.528 9.168 24.853 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -3.240 7.936 25.076 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.689 8.968 25.123 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.658 7.436 26.028 1.00 10.00 H new ATOM 701 N LEU A 49 -9.163 6.618 24.402 1.00 10.00 N ATOM 702 CA LEU A 49 -10.634 6.815 24.552 1.00 10.00 C ATOM 703 C LEU A 49 -11.140 6.102 25.812 1.00 10.00 C ATOM 704 O LEU A 49 -12.127 6.493 26.402 1.00 10.00 O ATOM 705 CB LEU A 49 -11.244 6.201 23.288 1.00 10.00 C ATOM 706 CG LEU A 49 -12.705 5.816 23.542 1.00 10.00 C ATOM 707 CD1 LEU A 49 -13.504 5.956 22.244 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.772 4.367 24.026 1.00 10.00 C ATOM 0 H LEU A 49 -8.846 6.429 23.451 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.905 7.865 24.662 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -11.185 6.912 22.464 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.674 5.321 22.991 1.00 10.00 H new ATOM 0 HG LEU A 49 -13.127 6.474 24.301 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -14.543 5.682 22.425 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -13.456 6.988 21.897 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -13.082 5.298 21.484 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.811 4.092 24.207 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.350 3.710 23.266 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.203 4.265 24.950 1.00 10.00 H new ATOM 720 N GLU A 50 -10.470 5.063 26.230 1.00 10.00 N ATOM 721 CA GLU A 50 -10.916 4.335 27.453 1.00 10.00 C ATOM 722 C GLU A 50 -10.460 5.088 28.705 1.00 10.00 C ATOM 723 O GLU A 50 -11.253 5.424 29.565 1.00 10.00 O ATOM 724 CB GLU A 50 -10.238 2.966 27.371 1.00 10.00 C ATOM 725 CG GLU A 50 -11.074 1.936 28.134 1.00 10.00 C ATOM 726 CD GLU A 50 -11.937 1.147 27.148 1.00 50.00 C ATOM 727 OE1 GLU A 50 -12.796 1.751 26.528 1.00 50.00 O ATOM 728 OE2 GLU A 50 -11.724 -0.049 27.032 1.00 50.00 O ATOM 0 H GLU A 50 -9.636 4.687 25.780 1.00 10.00 H new ATOM 0 HA GLU A 50 -12.001 4.246 27.511 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -10.131 2.663 26.329 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -9.234 3.020 27.792 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.421 1.259 28.685 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.706 2.437 28.867 1.00 10.00 H new ATOM 735 N ALA A 51 -9.188 5.360 28.815 1.00 10.00 N ATOM 736 CA ALA A 51 -8.685 6.096 30.010 1.00 10.00 C ATOM 737 C ALA A 51 -9.469 7.394 30.195 1.00 10.00 C ATOM 738 O ALA A 51 -9.804 7.782 31.296 1.00 10.00 O ATOM 739 CB ALA A 51 -7.217 6.394 29.705 1.00 12.50 C ATOM 0 H ALA A 51 -8.476 5.105 28.130 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.800 5.521 30.929 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.775 6.936 30.541 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.679 5.458 29.555 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -7.149 7.001 28.802 1.00 12.50 H new ATOM 745 N ALA A 52 -9.766 8.064 29.121 1.00 10.00 N ATOM 746 CA ALA A 52 -10.533 9.339 29.220 1.00 10.00 C ATOM 747 C ALA A 52 -12.020 9.041 29.421 1.00 10.00 C ATOM 748 O ALA A 52 -12.752 9.832 29.984 1.00 10.00 O ATOM 749 CB ALA A 52 -10.301 10.047 27.885 1.00 10.00 C ATOM 0 H ALA A 52 -9.511 7.785 28.174 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.214 9.951 30.063 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.835 10.997 27.879 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.235 10.229 27.750 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.667 9.420 27.072 1.00 10.00 H new ATOM 755 N GLU A 53 -12.471 7.903 28.971 1.00 10.00 N ATOM 756 CA GLU A 53 -13.910 7.553 29.143 1.00 10.00 C ATOM 757 C GLU A 53 -14.241 7.431 30.631 1.00 10.00 C ATOM 758 O GLU A 53 -15.342 7.712 31.059 1.00 10.00 O ATOM 759 CB GLU A 53 -14.079 6.205 28.442 1.00 10.00 C ATOM 760 CG GLU A 53 -14.977 6.376 27.214 1.00 10.00 C ATOM 761 CD GLU A 53 -16.444 6.336 27.646 1.00 10.00 C ATOM 762 OE1 GLU A 53 -16.745 5.615 28.583 1.00 10.00 O ATOM 763 OE2 GLU A 53 -17.241 7.027 27.033 1.00 10.00 O ATOM 0 H GLU A 53 -11.907 7.201 28.492 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.575 8.310 28.727 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.106 5.814 28.143 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -14.517 5.479 29.127 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -14.758 7.322 26.719 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -14.778 5.585 26.491 1.00 10.00 H new ATOM 770 N ALA A 54 -13.291 7.014 31.420 1.00 10.00 N ATOM 771 CA ALA A 54 -13.543 6.874 32.883 1.00 10.00 C ATOM 772 C ALA A 54 -13.606 8.254 33.542 1.00 10.00 C ATOM 773 O ALA A 54 -13.935 8.383 34.704 1.00 10.00 O ATOM 774 CB ALA A 54 -12.350 6.079 33.415 1.00 50.00 C ATOM 0 H ALA A 54 -12.350 6.764 31.116 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.490 6.378 33.094 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.460 5.933 34.490 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.309 5.109 32.919 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.429 6.628 33.216 1.00 50.00 H new ATOM 780 N GLN A 55 -13.292 9.286 32.809 1.00 10.00 N ATOM 781 CA GLN A 55 -13.332 10.658 33.394 1.00 10.00 C ATOM 782 C GLN A 55 -14.546 11.425 32.861 1.00 10.00 C ATOM 783 O GLN A 55 -14.985 12.394 33.446 1.00 10.00 O ATOM 784 CB GLN A 55 -12.037 11.326 32.932 1.00 10.00 C ATOM 785 CG GLN A 55 -10.838 10.517 33.431 1.00 10.00 C ATOM 786 CD GLN A 55 -9.554 11.310 33.184 1.00 10.00 C ATOM 787 OE1 GLN A 55 -9.103 11.425 32.062 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.941 11.866 34.193 1.00 10.00 N ATOM 0 H GLN A 55 -13.009 9.240 31.830 1.00 10.00 H new ATOM 0 HA GLN A 55 -13.417 10.639 34.481 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -12.017 11.392 31.844 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -11.985 12.346 33.314 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.947 10.302 34.494 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.792 9.558 32.915 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.319 11.770 35.135 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.084 12.397 34.039 1.00 10.00 H new ATOM 797 N GLY A 56 -15.087 10.998 31.754 1.00 10.00 N ATOM 798 CA GLY A 56 -16.268 11.703 31.182 1.00 10.00 C ATOM 799 C GLY A 56 -15.824 12.540 29.981 1.00 10.00 C ATOM 800 O GLY A 56 -16.516 13.440 29.549 1.00 10.00 O ATOM 0 H GLY A 56 -14.762 10.191 31.221 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -17.025 10.980 30.876 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -16.725 12.343 31.937 1.00 10.00 H new ATOM 804 N TYR A 57 -14.673 12.249 29.438 1.00 10.00 N ATOM 805 CA TYR A 57 -14.184 13.028 28.265 1.00 10.00 C ATOM 806 C TYR A 57 -14.980 12.650 27.013 1.00 10.00 C ATOM 807 O TYR A 57 -15.281 11.495 26.783 1.00 10.00 O ATOM 808 CB TYR A 57 -12.715 12.626 28.107 1.00 10.00 C ATOM 809 CG TYR A 57 -11.887 13.220 29.229 1.00 10.00 C ATOM 810 CD1 TYR A 57 -12.510 13.855 30.314 1.00 10.00 C ATOM 811 CD2 TYR A 57 -10.491 13.130 29.182 1.00 10.00 C ATOM 812 CE1 TYR A 57 -11.736 14.397 31.346 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.717 13.673 30.215 1.00 12.50 C ATOM 814 CZ TYR A 57 -10.340 14.306 31.297 1.00 12.50 C ATOM 815 OH TYR A 57 -9.576 14.841 32.314 1.00 12.50 O ATOM 0 H TYR A 57 -14.051 11.506 29.756 1.00 10.00 H new ATOM 0 HA TYR A 57 -14.300 14.103 28.405 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -12.625 11.540 28.114 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -12.337 12.971 27.144 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -13.587 13.925 30.353 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -10.010 12.641 28.348 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.216 14.886 32.181 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.640 13.603 30.177 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.160 15.674 32.007 1.00 12.50 H new ATOM 825 N ASP A 58 -15.324 13.613 26.202 1.00 10.00 N ATOM 826 CA ASP A 58 -16.101 13.305 24.968 1.00 10.00 C ATOM 827 C ASP A 58 -15.161 13.194 23.765 1.00 10.00 C ATOM 828 O ASP A 58 -14.189 13.914 23.656 1.00 10.00 O ATOM 829 CB ASP A 58 -17.057 14.486 24.794 1.00 10.00 C ATOM 830 CG ASP A 58 -18.192 14.085 23.849 1.00 10.00 C ATOM 831 OD1 ASP A 58 -18.154 12.976 23.345 1.00 10.00 O ATOM 832 OD2 ASP A 58 -19.080 14.897 23.645 1.00 10.00 O ATOM 0 H ASP A 58 -15.101 14.599 26.340 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.635 12.357 25.043 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.462 14.786 25.760 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -16.521 15.346 24.392 1.00 10.00 H new ATOM 837 N TRP A 59 -15.446 12.299 22.860 1.00 10.00 N ATOM 838 CA TRP A 59 -14.572 12.140 21.663 1.00 10.00 C ATOM 839 C TRP A 59 -15.432 11.973 20.408 1.00 10.00 C ATOM 840 O TRP A 59 -16.616 11.716 20.498 1.00 10.00 O ATOM 841 CB TRP A 59 -13.754 10.878 21.941 1.00 10.00 C ATOM 842 CG TRP A 59 -12.979 11.074 23.204 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.440 10.805 24.445 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.621 11.579 23.372 1.00 10.00 C ATOM 845 NE1 TRP A 59 -12.459 11.120 25.365 1.00 50.00 N ATOM 846 CE2 TRP A 59 -11.317 11.597 24.753 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.635 12.019 22.471 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -10.079 12.037 25.225 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.388 12.462 22.943 1.00 50.00 C ATOM 850 CH2 TRP A 59 -9.111 12.470 24.317 1.00 50.00 C ATOM 0 H TRP A 59 -16.248 11.670 22.898 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.931 13.005 21.491 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.412 10.014 22.033 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.077 10.676 21.111 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -14.417 10.408 24.680 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -12.565 11.013 26.374 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.837 12.016 21.410 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.872 12.042 26.285 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.638 12.799 22.243 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -8.150 12.811 24.673 1.00 50.00 H new ATOM 861 N PRO A 60 -14.806 12.133 19.273 1.00 10.00 N ATOM 862 CA PRO A 60 -15.526 12.005 17.983 1.00 10.00 C ATOM 863 C PRO A 60 -15.935 10.551 17.730 1.00 10.00 C ATOM 864 O PRO A 60 -15.116 9.653 17.733 1.00 10.00 O ATOM 865 CB PRO A 60 -14.504 12.481 16.953 1.00 10.00 C ATOM 866 CG PRO A 60 -13.174 12.264 17.603 1.00 10.00 C ATOM 867 CD PRO A 60 -13.383 12.440 19.085 1.00 10.00 C ATOM 0 HA PRO A 60 -16.452 12.580 17.951 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -14.587 11.917 16.024 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -14.655 13.531 16.703 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -12.793 11.267 17.382 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -12.439 12.977 17.228 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -12.748 11.767 19.662 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.146 13.455 19.405 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.654 11.310 15.131 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.626 12.762 14.786 1.00 10.00 C ATOM 1013 C ALA A 72 -9.878 13.554 15.865 1.00 10.00 C ATOM 1014 O ALA A 72 -10.477 14.169 16.724 1.00 10.00 O ATOM 1015 CB ALA A 72 -12.095 13.186 14.734 1.00 10.00 C ATOM 0 HA ALA A 72 -10.112 12.949 13.843 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.159 14.245 14.485 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.615 12.603 13.975 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.558 13.013 15.705 1.00 10.00 H new ATOM 1021 N SER A 73 -8.572 13.545 15.825 1.00 10.00 N ATOM 1022 CA SER A 73 -7.790 14.301 16.846 1.00 10.00 C ATOM 1023 C SER A 73 -6.599 15.003 16.187 1.00 10.00 C ATOM 1024 O SER A 73 -6.463 15.010 14.980 1.00 10.00 O ATOM 1025 CB SER A 73 -7.307 13.243 17.839 1.00 50.00 C ATOM 1026 OG SER A 73 -7.004 13.862 19.080 1.00 50.00 O ATOM 0 H SER A 73 -8.014 13.048 15.131 1.00 10.00 H new ATOM 0 HA SER A 73 -8.385 15.074 17.332 1.00 10.00 H new ATOM 0 HB2 SER A 73 -8.075 12.482 17.978 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.424 12.737 17.447 1.00 50.00 H new ATOM 0 HG SER A 73 -7.281 14.802 19.053 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.738 15.597 16.967 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.561 16.299 16.380 1.00 10.00 C ATOM 1034 C ILE A 74 -3.372 16.239 17.343 1.00 10.00 C ATOM 1035 O ILE A 74 -3.157 17.135 18.136 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.021 17.745 16.182 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.056 17.803 15.058 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.820 18.618 15.812 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.408 17.366 13.743 1.00 10.00 C ATOM 0 H ILE A 74 -5.798 15.627 17.985 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.233 15.844 15.445 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.467 18.112 17.107 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.900 17.154 15.293 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.449 18.815 14.963 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.148 19.648 15.671 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.081 18.579 16.613 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.373 18.250 14.888 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.146 17.408 12.942 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -4.579 18.033 13.507 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.037 16.346 13.842 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.595 15.191 17.280 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.418 15.080 18.192 1.00 10.00 C ATOM 1053 C VAL A 75 -0.471 16.264 17.972 1.00 10.00 C ATOM 1054 O VAL A 75 0.033 16.473 16.887 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.737 13.767 17.803 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.180 13.880 16.383 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.406 13.478 18.780 1.00 50.00 C ATOM 0 H VAL A 75 -2.723 14.408 16.638 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.705 15.092 19.244 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.463 12.955 17.842 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.305 12.944 16.107 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.994 14.086 15.688 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.547 14.691 16.341 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.893 12.542 18.504 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.132 14.290 18.741 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.008 13.396 19.791 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.224 17.044 18.992 1.00 10.00 N ATOM 1068 CA LYS A 76 0.691 18.211 18.828 1.00 10.00 C ATOM 1069 C LYS A 76 2.146 17.761 18.962 1.00 10.00 C ATOM 1070 O LYS A 76 3.065 18.483 18.630 1.00 10.00 O ATOM 1071 CB LYS A 76 0.320 19.173 19.957 1.00 25.00 C ATOM 1072 CG LYS A 76 0.516 20.614 19.482 1.00 25.00 C ATOM 1073 CD LYS A 76 1.382 21.372 20.490 1.00 50.00 C ATOM 1074 CE LYS A 76 2.446 22.178 19.743 1.00 50.00 C ATOM 1075 NZ LYS A 76 3.721 21.439 19.975 1.00 50.00 N ATOM 0 H LYS A 76 -0.614 16.924 19.927 1.00 10.00 H new ATOM 0 HA LYS A 76 0.591 18.679 17.849 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.716 19.015 20.258 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.940 18.980 20.833 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.990 20.623 18.500 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -0.450 21.107 19.374 1.00 25.00 H new ATOM 0 HD2 LYS A 76 0.762 22.037 21.091 1.00 50.00 H new ATOM 0 HD3 LYS A 76 1.857 20.672 21.177 1.00 50.00 H new ATOM 0 HE2 LYS A 76 2.216 22.245 18.680 1.00 50.00 H new ATOM 0 HE3 LYS A 76 2.506 23.198 20.121 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 4.500 21.931 19.493 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 3.917 21.397 20.995 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 3.636 20.473 19.599 1.00 50.00 H new ATOM 1089 N GLU A 77 2.362 16.569 19.446 1.00 10.00 N ATOM 1090 CA GLU A 77 3.756 16.068 19.601 1.00 10.00 C ATOM 1091 C GLU A 77 3.747 14.698 20.282 1.00 10.00 C ATOM 1092 O GLU A 77 2.859 14.380 21.048 1.00 10.00 O ATOM 1093 CB GLU A 77 4.458 17.104 20.481 1.00 10.00 C ATOM 1094 CG GLU A 77 5.756 17.551 19.803 1.00 10.00 C ATOM 1095 CD GLU A 77 6.060 19.000 20.187 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.245 19.252 21.367 1.00 25.00 O ATOM 1097 OE2 GLU A 77 6.106 19.832 19.297 1.00 25.00 O ATOM 0 H GLU A 77 1.632 15.920 19.741 1.00 10.00 H new ATOM 0 HA GLU A 77 4.261 15.945 18.643 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.805 17.962 20.643 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.674 16.678 21.461 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.579 16.903 20.106 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.662 17.462 18.721 1.00 10.00 H new ATOM 1104 N GLY A 78 4.725 13.881 20.006 1.00 10.00 N ATOM 1105 CA GLY A 78 4.766 12.531 20.632 1.00 10.00 C ATOM 1106 C GLY A 78 4.318 11.485 19.610 1.00 10.00 C ATOM 1107 O GLY A 78 4.273 11.744 18.423 1.00 10.00 O ATOM 0 H GLY A 78 5.498 14.090 19.374 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.775 12.309 20.978 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.116 12.503 21.506 1.00 10.00 H new ATOM 1111 N GLU A 79 3.986 10.306 20.056 1.00 10.00 N ATOM 1112 CA GLU A 79 3.542 9.249 19.103 1.00 10.00 C ATOM 1113 C GLU A 79 2.661 8.222 19.819 1.00 10.00 C ATOM 1114 O GLU A 79 2.917 7.849 20.947 1.00 10.00 O ATOM 1115 CB GLU A 79 4.833 8.597 18.607 1.00 25.00 C ATOM 1116 CG GLU A 79 4.500 7.289 17.888 1.00 25.00 C ATOM 1117 CD GLU A 79 5.765 6.731 17.232 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.194 7.297 16.240 1.00 50.00 O ATOM 1119 OE2 GLU A 79 6.285 5.749 17.735 1.00 50.00 O ATOM 0 H GLU A 79 4.002 10.028 21.037 1.00 10.00 H new ATOM 0 HA GLU A 79 2.949 9.655 18.284 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.358 9.272 17.931 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.501 8.403 19.446 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.095 6.566 18.596 1.00 25.00 H new ATOM 0 HG3 GLU A 79 3.732 7.461 17.134 1.00 25.00 H new ATOM 1126 N ILE A 80 1.625 7.763 19.171 1.00 10.00 N ATOM 1127 CA ILE A 80 0.727 6.760 19.812 1.00 10.00 C ATOM 1128 C ILE A 80 1.024 5.360 19.265 1.00 10.00 C ATOM 1129 O ILE A 80 1.763 5.199 18.314 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.688 7.197 19.430 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.975 8.576 20.027 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.699 6.185 19.974 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.928 9.341 19.106 1.00 50.00 C ATOM 0 H ILE A 80 1.361 8.039 18.225 1.00 10.00 H new ATOM 0 HA ILE A 80 0.862 6.713 20.893 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.772 7.247 18.344 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -1.416 8.471 21.018 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -0.045 9.132 20.149 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.708 6.496 19.702 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.495 5.202 19.548 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.615 6.135 21.060 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.133 10.324 19.530 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -1.469 9.458 18.124 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.861 8.787 19.007 1.00 50.00 H new ATOM 1145 N ASP A 81 0.452 4.349 19.858 1.00 10.00 N ATOM 1146 CA ASP A 81 0.702 2.961 19.373 1.00 10.00 C ATOM 1147 C ASP A 81 -0.623 2.268 19.044 1.00 10.00 C ATOM 1148 O ASP A 81 -1.654 2.577 19.609 1.00 10.00 O ATOM 1149 CB ASP A 81 1.402 2.256 20.535 1.00 10.00 C ATOM 1150 CG ASP A 81 2.195 1.060 20.003 1.00 10.00 C ATOM 1151 OD1 ASP A 81 2.885 1.224 19.012 1.00 10.00 O ATOM 1152 OD2 ASP A 81 2.097 -0.001 20.598 1.00 10.00 O ATOM 0 H ASP A 81 -0.178 4.423 20.657 1.00 10.00 H new ATOM 0 HA ASP A 81 1.303 2.943 18.464 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.069 2.950 21.046 1.00 10.00 H new ATOM 0 HB3 ASP A 81 0.667 1.922 21.267 1.00 10.00 H new ATOM 1157 N MET A 82 -0.606 1.333 18.133 1.00 12.50 N ATOM 1158 CA MET A 82 -1.865 0.622 17.769 1.00 12.50 C ATOM 1159 C MET A 82 -1.546 -0.665 17.005 1.00 12.50 C ATOM 1160 O MET A 82 -0.401 -0.982 16.751 1.00 12.50 O ATOM 1161 CB MET A 82 -2.629 1.602 16.877 1.00 12.50 C ATOM 1162 CG MET A 82 -4.133 1.425 17.095 1.00 12.50 C ATOM 1163 SD MET A 82 -4.858 0.599 15.657 1.00 12.50 S ATOM 1164 CE MET A 82 -6.402 0.084 16.447 1.00 50.00 C ATOM 0 H MET A 82 0.225 1.031 17.625 1.00 12.50 H new ATOM 0 HA MET A 82 -2.444 0.333 18.646 1.00 12.50 H new ATOM 0 HB2 MET A 82 -2.335 2.626 17.109 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.380 1.428 15.830 1.00 12.50 H new ATOM 0 HG2 MET A 82 -4.314 0.837 17.995 1.00 12.50 H new ATOM 0 HG3 MET A 82 -4.606 2.395 17.247 1.00 12.50 H new ATOM 0 HE1 MET A 82 -6.993 -0.501 15.743 1.00 50.00 H new ATOM 0 HE2 MET A 82 -6.177 -0.523 17.324 1.00 50.00 H new ATOM 0 HE3 MET A 82 -6.967 0.965 16.751 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.552 -1.411 16.637 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.309 -2.679 15.889 1.00 50.00 C ATOM 1176 C ASP A 83 -1.851 -2.372 14.461 1.00 50.00 C ATOM 1177 O ASP A 83 -1.942 -1.253 13.996 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.661 -3.393 15.875 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.451 -4.875 15.553 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -2.377 -5.212 15.086 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -4.370 -5.645 15.781 1.00 50.00 O ATOM 0 H ASP A 83 -3.532 -1.198 16.822 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.530 -3.287 16.348 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.151 -3.286 16.843 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -4.317 -2.938 15.133 1.00 50.00 H new ATOM 1275 N SER A 89 -2.188 8.700 5.784 1.00 12.50 N ATOM 1276 CA SER A 89 -0.883 8.989 5.121 1.00 12.50 C ATOM 1277 C SER A 89 0.105 9.580 6.130 1.00 12.50 C ATOM 1278 O SER A 89 -0.258 10.373 6.976 1.00 12.50 O ATOM 1279 CB SER A 89 -1.212 10.012 4.031 1.00 12.50 C ATOM 1280 OG SER A 89 -0.534 9.661 2.834 1.00 12.50 O ATOM 0 HA SER A 89 -0.420 8.091 4.713 1.00 12.50 H new ATOM 0 HB2 SER A 89 -2.288 10.041 3.857 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.913 11.010 4.352 1.00 12.50 H new ATOM 0 HG SER A 89 -0.745 10.314 2.135 1.00 12.50 H new ATOM 1286 N ASP A 90 1.352 9.200 6.049 1.00 10.00 N ATOM 1287 CA ASP A 90 2.358 9.744 7.006 1.00 10.00 C ATOM 1288 C ASP A 90 2.244 11.267 7.073 1.00 10.00 C ATOM 1289 O ASP A 90 2.199 11.852 8.137 1.00 10.00 O ATOM 1290 CB ASP A 90 3.714 9.329 6.438 1.00 10.00 C ATOM 1291 CG ASP A 90 4.826 9.790 7.384 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.749 10.911 7.855 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.736 9.011 7.620 1.00 10.00 O ATOM 0 H ASP A 90 1.717 8.538 5.364 1.00 10.00 H new ATOM 0 HA ASP A 90 2.213 9.368 8.019 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.753 8.247 6.314 1.00 10.00 H new ATOM 0 HB3 ASP A 90 3.857 9.768 5.451 1.00 10.00 H new ATOM 1298 N GLU A 91 2.192 11.910 5.942 1.00 12.50 N ATOM 1299 CA GLU A 91 2.074 13.395 5.934 1.00 12.50 C ATOM 1300 C GLU A 91 0.847 13.821 6.741 1.00 12.50 C ATOM 1301 O GLU A 91 0.754 14.938 7.210 1.00 12.50 O ATOM 1302 CB GLU A 91 1.910 13.771 4.461 1.00 12.50 C ATOM 1303 CG GLU A 91 3.288 13.855 3.801 1.00 12.50 C ATOM 1304 CD GLU A 91 3.133 14.325 2.354 1.00 50.00 C ATOM 1305 OE1 GLU A 91 2.038 14.727 1.996 1.00 50.00 O ATOM 1306 OE2 GLU A 91 4.113 14.275 1.627 1.00 50.00 O ATOM 0 H GLU A 91 2.226 11.472 5.021 1.00 12.50 H new ATOM 0 HA GLU A 91 2.938 13.886 6.382 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.295 13.029 3.951 1.00 12.50 H new ATOM 0 HB3 GLU A 91 1.394 14.727 4.374 1.00 12.50 H new ATOM 0 HG2 GLU A 91 3.926 14.546 4.353 1.00 12.50 H new ATOM 0 HG3 GLU A 91 3.776 12.881 3.828 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.093 12.933 6.909 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.315 13.276 7.691 1.00 10.00 C ATOM 1315 C GLU A 92 -0.980 13.338 9.183 1.00 10.00 C ATOM 1316 O GLU A 92 -1.395 14.238 9.887 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.297 12.139 7.408 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.708 12.711 7.253 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.720 11.564 7.204 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -4.473 10.612 6.483 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.725 11.658 7.889 1.00 50.00 O ATOM 0 H GLU A 92 -0.068 11.983 6.538 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.727 14.247 7.415 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.006 11.610 6.501 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.274 11.414 8.221 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.936 13.376 8.086 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.773 13.307 6.342 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.229 12.388 9.669 1.00 10.00 N ATOM 1329 CA VAL A 93 0.139 12.393 11.114 1.00 10.00 C ATOM 1330 C VAL A 93 1.139 13.516 11.393 1.00 10.00 C ATOM 1331 O VAL A 93 1.266 13.988 12.505 1.00 10.00 O ATOM 1332 CB VAL A 93 0.781 11.028 11.364 1.00 10.00 C ATOM 1333 CG1 VAL A 93 1.457 11.025 12.737 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.294 9.940 11.322 1.00 10.00 C ATOM 0 H VAL A 93 0.146 11.608 9.128 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.721 12.561 11.762 1.00 10.00 H new ATOM 0 HB VAL A 93 1.525 10.832 10.592 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.915 10.052 12.915 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.225 11.798 12.766 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.713 11.223 13.509 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.165 8.968 11.500 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.040 10.136 12.092 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.774 9.940 10.343 1.00 10.00 H new ATOM 1344 N GLU A 94 1.848 13.949 10.386 1.00 12.50 N ATOM 1345 CA GLU A 94 2.840 15.043 10.585 1.00 12.50 C ATOM 1346 C GLU A 94 2.238 16.382 10.151 1.00 12.50 C ATOM 1347 O GLU A 94 2.392 17.387 10.815 1.00 12.50 O ATOM 1348 CB GLU A 94 4.021 14.672 9.687 1.00 12.50 C ATOM 1349 CG GLU A 94 5.235 14.332 10.554 1.00 12.50 C ATOM 1350 CD GLU A 94 6.499 14.891 9.899 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.733 14.575 8.745 1.00 12.50 O ATOM 1352 OE2 GLU A 94 7.212 15.625 10.564 1.00 12.50 O ATOM 0 H GLU A 94 1.783 13.592 9.433 1.00 12.50 H new ATOM 0 HA GLU A 94 3.138 15.149 11.628 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.760 13.821 9.058 1.00 12.50 H new ATOM 0 HB3 GLU A 94 4.258 15.500 9.019 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.113 14.753 11.552 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.320 13.252 10.672 1.00 12.50 H new ATOM 1359 N GLU A 95 1.549 16.398 9.043 1.00 12.50 N ATOM 1360 CA GLU A 95 0.934 17.670 8.565 1.00 12.50 C ATOM 1361 C GLU A 95 -0.464 17.839 9.168 1.00 12.50 C ATOM 1362 O GLU A 95 -0.895 18.936 9.462 1.00 12.50 O ATOM 1363 CB GLU A 95 0.847 17.522 7.046 1.00 25.00 C ATOM 1364 CG GLU A 95 1.093 18.880 6.386 1.00 25.00 C ATOM 1365 CD GLU A 95 1.983 18.696 5.156 1.00 50.00 C ATOM 1366 OE1 GLU A 95 1.716 17.788 4.386 1.00 50.00 O ATOM 1367 OE2 GLU A 95 2.917 19.466 5.004 1.00 50.00 O ATOM 0 H GLU A 95 1.385 15.586 8.448 1.00 12.50 H new ATOM 0 HA GLU A 95 1.515 18.545 8.856 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.583 16.798 6.698 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.134 17.140 6.763 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.145 19.333 6.097 1.00 25.00 H new ATOM 0 HG3 GLU A 95 1.568 19.559 7.094 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.174 16.760 9.355 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.544 16.860 9.937 1.00 25.00 C ATOM 1376 C LYS A 96 -2.510 16.508 11.429 1.00 25.00 C ATOM 1377 O LYS A 96 -3.468 16.719 12.146 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.378 15.841 9.161 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.540 16.554 8.466 1.00 25.00 C ATOM 1380 CD LYS A 96 -4.321 16.525 6.952 1.00 25.00 C ATOM 1381 CE LYS A 96 -3.256 17.556 6.571 1.00 25.00 C ATOM 1382 NZ LYS A 96 -3.974 18.552 5.727 1.00 25.00 N ATOM 0 H LYS A 96 -0.866 15.814 9.130 1.00 25.00 H new ATOM 0 HA LYS A 96 -2.956 17.866 9.858 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -2.756 15.333 8.424 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.759 15.077 9.838 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.482 16.068 8.718 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.610 17.584 8.815 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -4.007 15.529 6.638 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -5.255 16.743 6.434 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -2.825 18.025 7.456 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -2.435 17.093 6.024 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -3.310 19.294 5.425 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -4.368 18.078 4.889 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -4.746 18.981 6.277 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.415 15.977 11.900 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.321 15.615 13.345 1.00 10.00 C ATOM 1398 C ASP A 97 -2.470 14.685 13.737 1.00 10.00 C ATOM 1399 O ASP A 97 -2.780 14.526 14.901 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.436 16.944 14.092 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.038 17.493 14.377 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.907 16.985 13.797 1.00 50.00 O ATOM 1403 OD2 ASP A 97 0.064 18.414 15.172 1.00 50.00 O ATOM 0 H ASP A 97 -0.581 15.778 11.348 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.394 15.090 13.578 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.005 17.659 13.498 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -1.980 16.802 15.026 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.109 14.074 12.778 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.241 13.163 13.107 1.00 10.00 C ATOM 1410 C VAL A 98 -3.724 11.768 13.468 1.00 10.00 C ATOM 1411 O VAL A 98 -2.566 11.454 13.275 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.086 13.106 11.835 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -4.288 12.422 10.724 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.365 12.311 12.107 1.00 50.00 C ATOM 0 H VAL A 98 -2.897 14.166 11.784 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.813 13.517 13.965 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.346 14.118 11.526 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -4.890 12.381 9.816 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -3.377 12.987 10.530 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -4.028 11.410 11.033 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.968 12.270 11.200 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.105 11.298 12.416 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -6.934 12.797 12.899 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.579 10.931 13.988 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.152 9.553 14.365 1.00 10.00 C ATOM 1426 C ARG A 99 -5.329 8.800 14.990 1.00 10.00 C ATOM 1427 O ARG A 99 -6.443 9.285 15.016 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.031 9.749 15.388 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.974 8.657 15.201 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.582 9.252 15.416 1.00 50.00 C ATOM 1431 NE ARG A 99 0.346 8.090 15.339 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.338 7.316 14.289 1.00 50.00 C ATOM 1433 NH1 ARG A 99 1.220 7.491 13.342 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -0.553 6.369 14.182 1.00 50.00 N ATOM 0 H ARG A 99 -5.560 11.143 14.169 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.816 8.970 13.507 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.579 10.733 15.264 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.436 9.709 16.399 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.147 7.844 15.907 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -2.049 8.231 14.200 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.348 9.996 14.654 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.511 9.752 16.382 1.00 50.00 H new ATOM 0 HE ARG A 99 0.988 7.899 16.108 1.00 50.00 H new ATOM 0 HH11 ARG A 99 1.915 8.233 13.423 1.00 50.00 H new ATOM 0 HH12 ARG A 99 1.214 6.886 12.521 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -1.244 6.233 14.920 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -0.558 5.764 13.361 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.096 7.618 15.492 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.211 6.842 16.112 1.00 10.00 C ATOM 1450 C LEU A 100 -6.144 6.950 17.638 1.00 10.00 C ATOM 1451 O LEU A 100 -5.114 6.720 18.242 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.990 5.398 15.661 1.00 10.00 C ATOM 1453 CG LEU A 100 -7.328 4.783 15.248 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -7.202 4.176 13.849 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.717 3.690 16.245 1.00 10.00 C ATOM 0 H LEU A 100 -4.186 7.156 15.501 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.191 7.213 15.812 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.291 5.370 14.825 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.545 4.817 16.469 1.00 10.00 H new ATOM 0 HG LEU A 100 -8.095 5.557 15.240 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -8.156 3.738 13.555 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -6.926 4.955 13.138 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -6.434 3.402 13.856 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -8.671 3.252 15.951 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -6.949 2.916 16.254 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -7.809 4.122 17.241 1.00 10.00 H new ATOM 1467 N THR A 101 -7.232 7.303 18.267 1.00 10.00 N ATOM 1468 CA THR A 101 -7.230 7.429 19.754 1.00 10.00 C ATOM 1469 C THR A 101 -8.195 6.419 20.380 1.00 10.00 C ATOM 1470 O THR A 101 -8.111 6.112 21.553 1.00 10.00 O ATOM 1471 CB THR A 101 -7.701 8.858 20.029 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.546 9.289 18.970 1.00 10.00 O ATOM 1473 CG2 THR A 101 -6.491 9.788 20.128 1.00 10.00 C ATOM 0 H THR A 101 -8.123 7.510 17.816 1.00 10.00 H new ATOM 0 HA THR A 101 -6.247 7.230 20.181 1.00 10.00 H new ATOM 0 HB THR A 101 -8.253 8.883 20.969 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.850 10.204 19.146 1.00 10.00 H new ATOM 0 HG21 THR A 101 -6.829 10.806 20.324 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.844 9.458 20.941 1.00 10.00 H new ATOM 0 HG23 THR A 101 -5.936 9.764 19.190 1.00 10.00 H new ATOM 1481 N CYS A 102 -9.112 5.900 19.612 1.00 10.00 N ATOM 1482 CA CYS A 102 -10.081 4.915 20.172 1.00 10.00 C ATOM 1483 C CYS A 102 -9.346 3.663 20.657 1.00 10.00 C ATOM 1484 O CYS A 102 -8.929 3.580 21.796 1.00 10.00 O ATOM 1485 CB CYS A 102 -11.017 4.581 19.012 1.00 10.00 C ATOM 1486 SG CYS A 102 -12.402 5.745 19.011 1.00 10.00 S ATOM 0 H CYS A 102 -9.233 6.114 18.622 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.624 5.310 21.031 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.478 4.638 18.066 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.385 3.560 19.108 1.00 10.00 H new ATOM 0 HG CYS A 102 -13.201 5.467 18.024 1.00 10.00 H new ATOM 1491 N ILE A 103 -9.182 2.687 19.807 1.00 10.00 N ATOM 1492 CA ILE A 103 -8.474 1.445 20.231 1.00 10.00 C ATOM 1493 C ILE A 103 -6.969 1.592 19.995 1.00 10.00 C ATOM 1494 O ILE A 103 -6.414 1.015 19.081 1.00 10.00 O ATOM 1495 CB ILE A 103 -9.045 0.332 19.349 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -10.576 0.373 19.389 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -8.560 -1.023 19.866 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -11.129 0.074 17.994 1.00 50.00 C ATOM 0 H ILE A 103 -9.506 2.695 18.840 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.616 1.234 21.291 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.708 0.476 18.323 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -10.952 -0.357 20.105 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -10.916 1.353 19.725 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -8.965 -1.818 19.240 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -7.471 -1.056 19.835 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -8.898 -1.163 20.893 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -12.218 0.103 18.021 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -10.763 0.821 17.290 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -10.800 -0.915 17.676 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.303 2.359 20.814 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.835 2.540 20.632 1.00 10.00 C ATOM 1512 C GLY A 104 -4.225 3.108 21.915 1.00 10.00 C ATOM 1513 O GLY A 104 -4.857 3.850 22.641 1.00 10.00 O ATOM 0 H GLY A 104 -6.710 2.867 21.599 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -4.368 1.586 20.387 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.642 3.213 19.797 1.00 10.00 H new ATOM 1517 N SER A 105 -2.998 2.766 22.197 1.00 10.00 N ATOM 1518 CA SER A 105 -2.341 3.286 23.431 1.00 10.00 C ATOM 1519 C SER A 105 -1.153 4.177 23.058 1.00 10.00 C ATOM 1520 O SER A 105 -0.508 3.960 22.052 1.00 10.00 O ATOM 1521 CB SER A 105 -1.864 2.041 24.178 1.00 10.00 C ATOM 1522 OG SER A 105 -1.283 1.130 23.255 1.00 10.00 O ATOM 0 H SER A 105 -2.421 2.148 21.626 1.00 10.00 H new ATOM 0 HA SER A 105 -3.015 3.891 24.037 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.136 2.318 24.940 1.00 10.00 H new ATOM 0 HB3 SER A 105 -2.701 1.570 24.693 1.00 10.00 H new ATOM 0 HG SER A 105 -0.975 0.332 23.733 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.903 5.152 23.888 1.00 10.00 N ATOM 1529 CA PRO A 106 0.221 6.090 23.646 1.00 10.00 C ATOM 1530 C PRO A 106 1.563 5.390 23.882 1.00 10.00 C ATOM 1531 O PRO A 106 1.754 4.707 24.869 1.00 10.00 O ATOM 1532 CB PRO A 106 -0.005 7.194 24.675 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.796 6.546 25.765 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.635 5.472 25.120 1.00 10.00 C ATOM 0 HA PRO A 106 0.251 6.467 22.624 1.00 10.00 H new ATOM 0 HB2 PRO A 106 0.941 7.584 25.051 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.546 8.035 24.240 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -0.135 6.119 26.519 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -1.427 7.277 26.271 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.734 4.599 25.765 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.644 5.826 24.906 1.00 10.00 H new ATOM 1542 N ALA A 107 2.495 5.557 22.984 1.00 10.00 N ATOM 1543 CA ALA A 107 3.824 4.903 23.157 1.00 10.00 C ATOM 1544 C ALA A 107 4.821 5.895 23.758 1.00 10.00 C ATOM 1545 O ALA A 107 5.290 5.727 24.866 1.00 10.00 O ATOM 1546 CB ALA A 107 4.253 4.497 21.747 1.00 50.00 C ATOM 0 H ALA A 107 2.394 6.118 22.138 1.00 10.00 H new ATOM 0 HA ALA A 107 3.781 4.047 23.830 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.226 4.007 21.790 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.519 3.810 21.327 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.321 5.384 21.118 1.00 50.00 H new ATOM 1552 N ALA A 108 5.145 6.926 23.033 1.00 10.00 N ATOM 1553 CA ALA A 108 6.110 7.935 23.557 1.00 10.00 C ATOM 1554 C ALA A 108 5.693 8.378 24.962 1.00 10.00 C ATOM 1555 O ALA A 108 4.530 8.342 25.314 1.00 10.00 O ATOM 1556 CB ALA A 108 6.032 9.105 22.578 1.00 50.00 C ATOM 0 H ALA A 108 4.784 7.116 22.098 1.00 10.00 H new ATOM 0 HA ALA A 108 7.123 7.540 23.635 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.716 9.892 22.896 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.310 8.764 21.581 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.014 9.495 22.558 1.00 50.00 H new ATOM 1562 N ASP A 109 6.630 8.794 25.767 1.00 50.00 N ATOM 1563 CA ASP A 109 6.283 9.234 27.149 1.00 50.00 C ATOM 1564 C ASP A 109 5.337 10.437 27.103 1.00 50.00 C ATOM 1565 O ASP A 109 4.146 10.310 27.304 1.00 50.00 O ATOM 1566 CB ASP A 109 7.616 9.625 27.787 1.00 50.00 C ATOM 1567 CG ASP A 109 8.081 8.509 28.726 1.00 50.00 C ATOM 1568 OD1 ASP A 109 8.338 7.421 28.238 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.170 8.762 29.916 1.00 50.00 O ATOM 0 H ASP A 109 7.620 8.849 25.529 1.00 50.00 H new ATOM 0 HA ASP A 109 5.774 8.453 27.713 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.364 9.799 27.014 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.507 10.558 28.340 1.00 50.00 H new ATOM 1574 N GLU A 110 5.859 11.604 26.843 1.00 10.00 N ATOM 1575 CA GLU A 110 4.991 12.816 26.788 1.00 10.00 C ATOM 1576 C GLU A 110 4.428 13.006 25.376 1.00 10.00 C ATOM 1577 O GLU A 110 5.162 13.196 24.426 1.00 10.00 O ATOM 1578 CB GLU A 110 5.912 13.977 27.159 1.00 10.00 C ATOM 1579 CG GLU A 110 5.081 15.126 27.733 1.00 10.00 C ATOM 1580 CD GLU A 110 5.902 15.873 28.786 1.00 50.00 C ATOM 1581 OE1 GLU A 110 6.983 15.407 29.105 1.00 50.00 O ATOM 1582 OE2 GLU A 110 5.436 16.897 29.256 1.00 50.00 O ATOM 0 H GLU A 110 6.849 11.772 26.666 1.00 10.00 H new ATOM 0 HA GLU A 110 4.136 12.741 27.460 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.652 13.649 27.889 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.461 14.315 26.280 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.785 15.808 26.936 1.00 10.00 H new ATOM 0 HG3 GLU A 110 4.164 14.739 28.178 1.00 10.00 H new ATOM 1589 N VAL A 111 3.132 12.957 25.232 1.00 10.00 N ATOM 1590 CA VAL A 111 2.525 13.137 23.880 1.00 10.00 C ATOM 1591 C VAL A 111 1.404 14.180 23.937 1.00 10.00 C ATOM 1592 O VAL A 111 0.430 14.020 24.644 1.00 10.00 O ATOM 1593 CB VAL A 111 1.960 11.763 23.515 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.360 11.818 22.109 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.082 10.723 23.550 1.00 12.50 C ATOM 0 H VAL A 111 2.467 12.801 25.990 1.00 10.00 H new ATOM 0 HA VAL A 111 3.249 13.490 23.146 1.00 10.00 H new ATOM 0 HB VAL A 111 1.186 11.486 24.231 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.957 10.840 21.847 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.561 12.559 22.083 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.134 12.095 21.394 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.679 9.744 23.290 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.856 10.999 22.834 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.511 10.684 24.551 1.00 12.50 H new ATOM 1605 N LYS A 112 1.535 15.247 23.196 1.00 10.00 N ATOM 1606 CA LYS A 112 0.477 16.297 23.207 1.00 10.00 C ATOM 1607 C LYS A 112 -0.512 16.066 22.059 1.00 10.00 C ATOM 1608 O LYS A 112 -0.142 15.636 20.985 1.00 10.00 O ATOM 1609 CB LYS A 112 1.225 17.617 23.019 1.00 25.00 C ATOM 1610 CG LYS A 112 1.712 18.123 24.378 1.00 25.00 C ATOM 1611 CD LYS A 112 3.182 18.534 24.273 1.00 25.00 C ATOM 1612 CE LYS A 112 3.409 19.821 25.069 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.552 20.493 24.388 1.00 25.00 N ATOM 0 H LYS A 112 2.329 15.437 22.584 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.104 16.288 24.129 1.00 10.00 H new ATOM 0 HB2 LYS A 112 2.071 17.476 22.347 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.571 18.356 22.557 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.108 18.972 24.700 1.00 25.00 H new ATOM 0 HG3 LYS A 112 1.594 17.344 25.131 1.00 25.00 H new ATOM 0 HD2 LYS A 112 3.821 17.739 24.656 1.00 25.00 H new ATOM 0 HD3 LYS A 112 3.455 18.687 23.229 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.520 20.451 25.064 1.00 25.00 H new ATOM 0 HE3 LYS A 112 3.641 19.605 26.112 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 4.770 21.386 24.875 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 5.386 19.872 24.414 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 4.299 20.691 23.399 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.767 16.349 22.280 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.782 16.146 21.207 1.00 10.00 C ATOM 1629 C ILE A 113 -4.035 16.974 21.495 1.00 10.00 C ATOM 1630 O ILE A 113 -4.241 17.448 22.596 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.105 14.652 21.245 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.176 14.334 20.200 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.623 14.278 22.635 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -4.009 12.891 19.721 1.00 10.00 C ATOM 0 H ILE A 113 -2.134 16.713 23.159 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.415 16.460 20.230 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.203 14.080 21.026 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.169 14.474 20.627 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.092 15.020 19.357 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.854 13.213 22.663 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.860 14.504 23.380 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.525 14.850 22.853 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.772 12.664 18.976 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -3.021 12.767 19.278 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -4.115 12.212 20.567 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.875 17.150 20.514 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.118 17.944 20.728 1.00 10.00 C ATOM 1648 C VAL A 114 -7.346 17.096 20.383 1.00 10.00 C ATOM 1649 O VAL A 114 -7.454 16.557 19.300 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.994 19.131 19.772 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.210 20.047 19.929 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.720 19.914 20.095 1.00 50.00 C ATOM 0 H VAL A 114 -4.755 16.778 19.572 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.236 18.267 21.762 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.947 18.766 18.746 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.119 20.892 19.247 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -8.118 19.490 19.698 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.260 20.412 20.955 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.631 20.760 19.414 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.767 20.278 21.122 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.854 19.263 19.980 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.269 16.967 21.298 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.481 16.146 21.019 1.00 10.00 C ATOM 1664 C TYR A 115 -10.579 17.013 20.385 1.00 10.00 C ATOM 1665 O TYR A 115 -10.526 18.227 20.434 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.897 15.581 22.393 1.00 50.00 C ATOM 1667 CG TYR A 115 -11.041 16.370 22.996 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.854 17.700 23.393 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.294 15.763 23.156 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.916 18.421 23.950 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.356 16.485 23.713 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.168 17.814 24.109 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.214 18.527 24.657 1.00 50.00 O ATOM 0 H TYR A 115 -8.236 17.394 22.224 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.297 15.343 20.306 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -10.192 14.537 22.284 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -9.043 15.602 23.070 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.889 18.170 23.269 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.440 14.738 22.849 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.770 19.446 24.257 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.321 16.016 23.837 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.869 19.146 25.334 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.564 16.393 19.782 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.672 17.160 19.128 1.00 10.00 C ATOM 1685 C ASN A 116 -12.196 17.732 17.792 1.00 10.00 C ATOM 1686 O ASN A 116 -12.154 18.930 17.595 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.040 18.284 20.101 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.555 18.296 20.317 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.278 17.564 19.670 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.069 19.101 21.206 1.00 10.00 N ATOM 0 H ASN A 116 -11.649 15.379 19.714 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.534 16.527 18.917 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.527 18.139 21.052 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.711 19.245 19.705 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.078 19.116 21.358 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.462 19.715 21.749 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.838 16.879 16.873 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.364 17.366 15.544 1.00 10.00 C ATOM 1699 C ALA A 117 -12.559 17.700 14.646 1.00 10.00 C ATOM 1700 O ALA A 117 -12.402 18.056 13.494 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.562 16.204 14.959 1.00 50.00 C ATOM 0 H ALA A 117 -11.853 15.865 16.983 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.765 18.273 15.626 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.178 16.484 13.978 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.729 15.967 15.621 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.206 15.330 14.860 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.753 17.592 15.163 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.954 17.908 14.336 1.00 12.50 C ATOM 1709 C LYS A 118 -15.069 19.420 14.136 1.00 12.50 C ATOM 1710 O LYS A 118 -15.762 19.892 13.258 1.00 12.50 O ATOM 1711 CB LYS A 118 -16.143 17.388 15.142 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.916 15.920 15.502 1.00 12.50 C ATOM 1713 CD LYS A 118 -16.880 15.519 16.620 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.308 15.482 16.072 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.094 14.744 17.101 1.00 50.00 N ATOM 0 H LYS A 118 -13.949 17.299 16.120 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.903 17.454 13.346 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.267 17.980 16.049 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -17.061 17.493 14.564 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -16.074 15.290 14.626 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -14.885 15.767 15.823 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -16.606 14.542 17.018 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -16.814 16.229 17.444 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -18.700 16.488 15.922 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.348 14.977 15.107 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -20.086 14.677 16.797 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -18.702 13.788 17.218 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.043 15.252 18.007 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.396 20.182 14.953 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.467 21.664 14.820 1.00 50.00 C ATOM 1728 C HIS A 119 -13.452 22.153 13.782 1.00 50.00 C ATOM 1729 O HIS A 119 -13.437 23.310 13.412 1.00 50.00 O ATOM 1730 CB HIS A 119 -14.123 22.198 16.212 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.963 21.485 17.239 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.327 21.704 17.360 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.647 20.555 18.199 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.776 20.923 18.360 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.794 20.202 18.905 1.00 50.00 N ATOM 0 H HIS A 119 -13.800 19.842 15.707 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.446 22.006 14.484 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.064 22.045 16.421 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -14.305 23.272 16.258 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.888 22.341 16.794 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.659 20.158 18.379 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.806 20.884 18.682 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.606 21.280 13.304 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.597 21.698 12.286 1.00 12.50 C ATOM 1745 C LEU A 120 -12.290 22.411 11.120 1.00 12.50 C ATOM 1746 O LEU A 120 -13.453 22.192 10.847 1.00 12.50 O ATOM 1747 CB LEU A 120 -10.949 20.399 11.808 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.553 20.267 12.422 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.558 19.148 13.464 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.541 19.937 11.322 1.00 12.50 C ATOM 0 H LEU A 120 -12.569 20.297 13.573 1.00 12.50 H new ATOM 0 HA LEU A 120 -10.862 22.392 12.695 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.565 19.547 12.094 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -10.881 20.393 10.720 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.276 21.207 12.900 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.564 19.054 13.901 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -10.278 19.384 14.247 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.835 18.208 12.987 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.547 19.843 11.759 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -8.817 18.998 10.843 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -8.537 20.735 10.580 1.00 12.50 H new