USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 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 7 ASN : amide:sc= -3.4! C(o=-6.1!,f=-8!) USER MOD Set 1.2: A 10 THR OG1 : rot -177:sc= -1.55! USER MOD Set 1.3: A 115 TYR OH : rot -104:sc= 1.09 USER MOD Set 1.4: A 116 ASN : amide:sc= -2.24 K(o=-6.1,f=-7.6!) USER MOD Set 2.1: A 73 SER OG : rot -99:sc= -0.128 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc=0.000693 USER MOD Set 3.1: A 5 TYR OH : rot 81:sc= -0.135! USER MOD Set 3.2: A 55 GLN : amide:sc= 0 X(o=2.1,f=1.6) USER MOD Set 3.3: A 57 TYR OH : rot -106:sc= 2.2 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 18 MET CE :methyl -139:sc= -1.01 (180deg=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 35:sc= 1.27 USER MOD Single : A 39 THR OG1 : rot -76:sc= 0.00478 USER MOD Single : A 40 MET CE :methyl -143:sc= -4.44! (180deg=-7.82!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -124:sc= -0.107 (180deg=-2.44!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 170:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 112 LYS NZ :NH3+ -99:sc= -0.185 (180deg=-2.11) USER MOD Single : A 118 LYS NZ :NH3+ -162:sc= 0.00206 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -22! C(o=-22!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.717 7.389 30.305 1.00 3.92 N ATOM 2 CA PRO A 1 2.711 7.478 29.211 1.00 3.44 C ATOM 3 C PRO A 1 1.709 8.598 29.499 1.00 3.50 C ATOM 4 O PRO A 1 0.549 8.356 29.771 1.00 4.94 O ATOM 5 CB PRO A 1 2.024 6.117 29.233 1.00 2.00 C ATOM 6 CG PRO A 1 2.213 5.619 30.626 1.00 4.99 C ATOM 7 CD PRO A 1 3.519 6.185 31.117 1.00 3.38 C ATOM 0 H2 PRO A 1 3.651 8.216 30.898 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.656 7.382 29.906 1.00 3.92 H new ATOM 0 HA PRO A 1 3.155 7.706 28.242 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.966 6.203 28.984 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.469 5.437 28.506 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.389 5.937 31.265 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.231 4.529 30.648 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.475 6.424 32.180 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.336 5.476 30.983 1.00 3.38 H new ATOM 17 N THR A 2 2.148 9.825 29.441 1.00 3.08 N ATOM 18 CA THR A 2 1.222 10.963 29.711 1.00 2.08 C ATOM 19 C THR A 2 0.842 11.656 28.400 1.00 2.52 C ATOM 20 O THR A 2 1.677 11.905 27.553 1.00 2.28 O ATOM 21 CB THR A 2 2.015 11.913 30.610 1.00 3.47 C ATOM 22 OG1 THR A 2 2.710 11.160 31.594 1.00 3.73 O ATOM 23 CG2 THR A 2 1.057 12.890 31.292 1.00 3.09 C ATOM 0 H THR A 2 3.108 10.090 29.218 1.00 3.08 H new ATOM 0 HA THR A 2 0.293 10.639 30.180 1.00 2.08 H new ATOM 0 HB THR A 2 2.731 12.472 30.008 1.00 3.47 H new ATOM 0 HG1 THR A 2 3.220 11.767 32.170 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.623 13.567 31.933 1.00 3.09 H new ATOM 0 HG22 THR A 2 0.525 13.466 30.535 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.339 12.334 31.895 1.00 3.09 H new ATOM 31 N VAL A 3 -0.412 11.972 28.227 1.00 10.00 N ATOM 32 CA VAL A 3 -0.843 12.650 26.971 1.00 10.00 C ATOM 33 C VAL A 3 -1.701 13.875 27.304 1.00 10.00 C ATOM 34 O VAL A 3 -2.806 13.756 27.797 1.00 10.00 O ATOM 35 CB VAL A 3 -1.662 11.603 26.215 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.995 12.128 24.816 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.849 10.312 26.093 1.00 10.00 C ATOM 0 H VAL A 3 -1.157 11.790 28.900 1.00 10.00 H new ATOM 0 HA VAL A 3 0.001 13.006 26.380 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.586 11.403 26.758 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.579 11.382 24.277 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.572 13.049 24.901 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.071 12.328 24.273 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.432 9.565 25.554 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.074 10.513 25.550 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.610 9.937 27.088 1.00 10.00 H new ATOM 47 N GLU A 4 -1.198 15.050 27.042 1.00 10.00 N ATOM 48 CA GLU A 4 -1.979 16.283 27.348 1.00 10.00 C ATOM 49 C GLU A 4 -3.011 16.551 26.249 1.00 10.00 C ATOM 50 O GLU A 4 -2.667 16.843 25.121 1.00 10.00 O ATOM 51 CB GLU A 4 -0.940 17.404 27.387 1.00 50.00 C ATOM 52 CG GLU A 4 -1.226 18.327 28.574 1.00 50.00 C ATOM 53 CD GLU A 4 0.096 18.794 29.185 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.628 19.784 28.710 1.00 50.00 O ATOM 55 OE2 GLU A 4 0.556 18.152 30.116 1.00 50.00 O ATOM 0 H GLU A 4 -0.279 15.210 26.629 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.531 16.198 28.284 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.061 16.983 27.474 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.967 17.972 26.457 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.812 19.186 28.248 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.820 17.802 29.322 1.00 50.00 H new ATOM 62 N TYR A 5 -4.273 16.460 26.570 1.00 10.00 N ATOM 63 CA TYR A 5 -5.320 16.717 25.539 1.00 10.00 C ATOM 64 C TYR A 5 -5.736 18.191 25.569 1.00 10.00 C ATOM 65 O TYR A 5 -5.853 18.792 26.620 1.00 10.00 O ATOM 66 CB TYR A 5 -6.493 15.814 25.922 1.00 10.00 C ATOM 67 CG TYR A 5 -7.031 16.221 27.274 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.994 17.233 27.369 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.569 15.584 28.430 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.493 17.607 28.622 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.069 15.958 29.684 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.031 16.971 29.780 1.00 50.00 C ATOM 73 OH TYR A 5 -8.524 17.339 31.015 1.00 50.00 O ATOM 0 H TYR A 5 -4.624 16.220 27.497 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.966 16.508 24.529 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.279 15.886 25.171 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.170 14.773 25.947 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.351 17.725 26.476 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.826 14.803 28.356 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.236 18.388 28.695 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.713 15.465 30.576 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.385 16.898 31.168 1.00 50.00 H new ATOM 83 N LEU A 6 -5.952 18.777 24.422 1.00 10.00 N ATOM 84 CA LEU A 6 -6.353 20.214 24.378 1.00 10.00 C ATOM 85 C LEU A 6 -7.539 20.409 23.428 1.00 10.00 C ATOM 86 O LEU A 6 -7.515 19.975 22.295 1.00 10.00 O ATOM 87 CB LEU A 6 -5.123 20.948 23.844 1.00 12.50 C ATOM 88 CG LEU A 6 -4.844 22.186 24.700 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.820 23.072 23.990 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.139 22.973 24.905 1.00 50.00 C ATOM 0 H LEU A 6 -5.868 18.323 23.513 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.664 20.583 25.355 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.259 20.284 23.856 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.285 21.241 22.807 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.453 21.875 25.669 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.619 23.955 24.597 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.895 22.514 23.844 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.215 23.380 23.022 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.937 23.854 25.515 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.533 23.284 23.937 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.872 22.343 25.409 1.00 50.00 H new ATOM 102 N ASN A 7 -8.574 21.061 23.880 1.00 10.00 N ATOM 103 CA ASN A 7 -9.754 21.286 22.999 1.00 10.00 C ATOM 104 C ASN A 7 -9.364 22.179 21.820 1.00 10.00 C ATOM 105 O ASN A 7 -9.171 23.369 21.970 1.00 10.00 O ATOM 106 CB ASN A 7 -10.779 21.994 23.885 1.00 10.00 C ATOM 107 CG ASN A 7 -12.055 22.254 23.083 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.217 21.742 21.994 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.975 23.035 23.580 1.00 12.50 N ATOM 0 H ASN A 7 -8.654 21.447 24.821 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.145 20.357 22.584 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.004 21.382 24.759 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.370 22.935 24.252 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.830 23.215 23.054 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.839 23.465 24.495 1.00 12.50 H new ATOM 116 N TYR A 8 -9.249 21.619 20.647 1.00 50.00 N ATOM 117 CA TYR A 8 -8.875 22.450 19.469 1.00 50.00 C ATOM 118 C TYR A 8 -9.868 23.601 19.314 1.00 50.00 C ATOM 119 O TYR A 8 -9.522 24.680 18.877 1.00 50.00 O ATOM 120 CB TYR A 8 -8.952 21.504 18.272 1.00 50.00 C ATOM 121 CG TYR A 8 -8.969 22.310 16.996 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.161 22.894 16.554 1.00 50.00 C ATOM 123 CD2 TYR A 8 -7.794 22.466 16.250 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.182 23.633 15.368 1.00 50.00 C ATOM 125 CE2 TYR A 8 -7.813 23.208 15.063 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.007 23.791 14.621 1.00 50.00 C ATOM 127 OH TYR A 8 -9.027 24.520 13.449 1.00 50.00 O ATOM 0 H TYR A 8 -9.397 20.628 20.454 1.00 50.00 H new ATOM 0 HA TYR A 8 -7.883 22.892 19.567 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.099 20.826 18.275 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -9.849 20.888 18.338 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.066 22.774 17.130 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -6.874 22.014 16.590 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.103 24.082 15.027 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -6.907 23.331 14.488 1.00 50.00 H new ATOM 0 HH TYR A 8 -8.129 24.532 13.056 1.00 50.00 H new ATOM 137 N GLU A 9 -11.102 23.379 19.675 1.00 25.00 N ATOM 138 CA GLU A 9 -12.119 24.462 19.554 1.00 25.00 C ATOM 139 C GLU A 9 -11.768 25.610 20.501 1.00 25.00 C ATOM 140 O GLU A 9 -11.874 26.770 20.154 1.00 25.00 O ATOM 141 CB GLU A 9 -13.443 23.815 19.961 1.00 50.00 C ATOM 142 CG GLU A 9 -14.468 24.009 18.841 1.00 50.00 C ATOM 143 CD GLU A 9 -15.674 23.102 19.089 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.801 22.606 20.197 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.452 22.918 18.168 1.00 50.00 O ATOM 0 H GLU A 9 -11.450 22.496 20.048 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.167 24.877 18.547 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.297 22.752 20.155 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.809 24.261 20.886 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.786 25.051 18.801 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.017 23.776 17.877 1.00 50.00 H new ATOM 152 N THR A 10 -11.342 25.297 21.695 1.00 50.00 N ATOM 153 CA THR A 10 -10.976 26.371 22.660 1.00 50.00 C ATOM 154 C THR A 10 -9.836 27.216 22.085 1.00 50.00 C ATOM 155 O THR A 10 -9.761 28.407 22.304 1.00 50.00 O ATOM 156 CB THR A 10 -10.518 25.633 23.920 1.00 50.00 C ATOM 157 OG1 THR A 10 -11.615 24.917 24.469 1.00 50.00 O ATOM 158 CG2 THR A 10 -9.998 26.639 24.947 1.00 50.00 C ATOM 0 H THR A 10 -11.232 24.344 22.043 1.00 50.00 H new ATOM 0 HA THR A 10 -11.805 27.048 22.868 1.00 50.00 H new ATOM 0 HB THR A 10 -9.719 24.938 23.663 1.00 50.00 H new ATOM 0 HG1 THR A 10 -11.337 24.481 25.301 1.00 50.00 H new ATOM 0 HG21 THR A 10 -9.673 26.110 25.843 1.00 50.00 H new ATOM 0 HG22 THR A 10 -9.157 27.188 24.525 1.00 50.00 H new ATOM 0 HG23 THR A 10 -10.793 27.338 25.207 1.00 50.00 H new ATOM 166 N LEU A 11 -8.952 26.604 21.346 1.00 50.00 N ATOM 167 CA LEU A 11 -7.819 27.370 20.752 1.00 50.00 C ATOM 168 C LEU A 11 -8.347 28.376 19.726 1.00 50.00 C ATOM 169 O LEU A 11 -7.890 29.499 19.651 1.00 50.00 O ATOM 170 CB LEU A 11 -6.946 26.318 20.067 1.00 50.00 C ATOM 171 CG LEU A 11 -5.900 27.016 19.196 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.167 28.068 20.030 1.00 50.00 C ATOM 173 CD2 LEU A 11 -4.896 25.984 18.677 1.00 50.00 C ATOM 0 H LEU A 11 -8.965 25.608 21.128 1.00 50.00 H new ATOM 0 HA LEU A 11 -7.264 27.936 21.500 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.456 25.694 20.814 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.563 25.659 19.456 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.392 27.498 18.351 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.421 28.567 19.412 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.882 28.803 20.399 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.675 27.585 20.874 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.151 26.482 18.056 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.402 25.501 19.520 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.419 25.234 18.084 1.00 50.00 H new ATOM 185 N ASP A 12 -9.304 27.978 18.934 1.00 50.00 N ATOM 186 CA ASP A 12 -9.862 28.908 17.910 1.00 50.00 C ATOM 187 C ASP A 12 -10.840 29.890 18.560 1.00 50.00 C ATOM 188 O ASP A 12 -10.936 31.035 18.168 1.00 50.00 O ATOM 189 CB ASP A 12 -10.588 28.006 16.912 1.00 50.00 C ATOM 190 CG ASP A 12 -11.019 28.829 15.696 1.00 50.00 C ATOM 191 OD1 ASP A 12 -10.156 29.429 15.075 1.00 50.00 O ATOM 192 OD2 ASP A 12 -12.204 28.846 15.407 1.00 50.00 O ATOM 0 H ASP A 12 -9.724 27.049 18.951 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.088 29.507 17.430 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -9.934 27.192 16.600 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.459 27.552 17.384 1.00 50.00 H new ATOM 197 N ASP A 13 -11.566 29.451 19.551 1.00 50.00 N ATOM 198 CA ASP A 13 -12.535 30.363 20.224 1.00 50.00 C ATOM 199 C ASP A 13 -11.784 31.393 21.072 1.00 50.00 C ATOM 200 O ASP A 13 -12.107 32.565 21.073 1.00 50.00 O ATOM 201 CB ASP A 13 -13.383 29.454 21.115 1.00 50.00 C ATOM 202 CG ASP A 13 -14.800 30.021 21.220 1.00 50.00 C ATOM 203 OD1 ASP A 13 -15.115 30.925 20.464 1.00 50.00 O ATOM 204 OD2 ASP A 13 -15.548 29.541 22.057 1.00 50.00 O ATOM 0 H ASP A 13 -11.531 28.502 19.924 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.145 30.918 19.511 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.413 28.446 20.701 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.936 29.378 22.106 1.00 50.00 H new ATOM 209 N GLN A 14 -10.785 30.964 21.792 1.00 50.00 N ATOM 210 CA GLN A 14 -10.012 31.916 22.640 1.00 50.00 C ATOM 211 C GLN A 14 -9.080 32.764 21.769 1.00 50.00 C ATOM 212 O GLN A 14 -8.544 33.763 22.208 1.00 50.00 O ATOM 213 CB GLN A 14 -9.202 31.032 23.587 1.00 50.00 C ATOM 214 CG GLN A 14 -9.232 31.631 24.995 1.00 50.00 C ATOM 215 CD GLN A 14 -8.438 30.735 25.947 1.00 50.00 C ATOM 216 OE1 GLN A 14 -7.988 29.672 25.568 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.246 31.122 27.179 1.00 50.00 N ATOM 0 H GLN A 14 -10.470 29.995 21.830 1.00 50.00 H new ATOM 0 HA GLN A 14 -10.659 32.608 23.180 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -9.614 30.023 23.601 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -8.173 30.952 23.236 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -8.807 32.635 24.984 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -10.262 31.724 25.340 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.623 32.014 27.498 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -7.719 30.532 27.823 1.00 50.00 H new ATOM 226 N GLY A 15 -8.881 32.373 20.540 1.00 50.00 N ATOM 227 CA GLY A 15 -7.984 33.159 19.647 1.00 50.00 C ATOM 228 C GLY A 15 -6.527 32.861 20.002 1.00 50.00 C ATOM 229 O GLY A 15 -5.637 33.638 19.719 1.00 50.00 O ATOM 0 H GLY A 15 -9.300 31.545 20.117 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -8.176 32.904 18.605 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -8.186 34.224 19.757 1.00 50.00 H new ATOM 233 N TRP A 16 -6.275 31.742 20.624 1.00 50.00 N ATOM 234 CA TRP A 16 -4.875 31.397 20.999 1.00 50.00 C ATOM 235 C TRP A 16 -4.173 30.694 19.835 1.00 50.00 C ATOM 236 O TRP A 16 -4.680 30.640 18.731 1.00 50.00 O ATOM 237 CB TRP A 16 -5.008 30.457 22.197 1.00 50.00 C ATOM 238 CG TRP A 16 -4.449 31.124 23.412 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.287 30.790 24.016 1.00 50.00 C ATOM 240 CD2 TRP A 16 -5.006 32.231 24.180 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.094 31.620 25.106 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.126 32.525 25.248 1.00 50.00 C ATOM 243 CE3 TRP A 16 -6.176 33.002 24.055 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.397 33.547 26.160 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -6.453 34.031 24.971 1.00 50.00 C ATOM 246 CH2 TRP A 16 -5.565 34.302 26.021 1.00 50.00 C ATOM 0 H TRP A 16 -6.978 31.052 20.889 1.00 50.00 H new ATOM 0 HA TRP A 16 -4.281 32.279 21.238 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -6.055 30.200 22.358 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -4.477 29.525 22.003 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.618 30.003 23.699 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.288 31.569 25.728 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -6.866 32.802 23.249 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.709 33.753 26.967 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -7.355 34.616 24.865 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.783 35.094 26.722 1.00 50.00 H new ATOM 257 N ASP A 17 -3.007 30.158 20.072 1.00 50.00 N ATOM 258 CA ASP A 17 -2.270 29.462 18.978 1.00 50.00 C ATOM 259 C ASP A 17 -1.925 28.031 19.399 1.00 50.00 C ATOM 260 O ASP A 17 -2.153 27.632 20.523 1.00 50.00 O ATOM 261 CB ASP A 17 -0.996 30.283 18.779 1.00 50.00 C ATOM 262 CG ASP A 17 -1.211 31.295 17.652 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.117 31.087 16.862 1.00 50.00 O ATOM 264 OD2 ASP A 17 -0.466 32.259 17.597 1.00 50.00 O ATOM 0 H ASP A 17 -2.533 30.172 20.975 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.858 29.390 18.063 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.737 30.801 19.702 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -0.161 29.625 18.537 1.00 50.00 H new ATOM 269 N MET A 18 -1.377 27.256 18.503 1.00 50.00 N ATOM 270 CA MET A 18 -1.020 25.852 18.852 1.00 50.00 C ATOM 271 C MET A 18 0.302 25.818 19.623 1.00 50.00 C ATOM 272 O MET A 18 0.414 25.186 20.654 1.00 50.00 O ATOM 273 CB MET A 18 -0.875 25.135 17.509 1.00 50.00 C ATOM 274 CG MET A 18 -2.171 24.389 17.188 1.00 50.00 C ATOM 275 SD MET A 18 -1.807 22.991 16.096 1.00 50.00 S ATOM 276 CE MET A 18 -3.124 21.896 16.680 1.00 50.00 C ATOM 0 H MET A 18 -1.161 27.534 17.546 1.00 50.00 H new ATOM 0 HA MET A 18 -1.770 25.381 19.487 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.653 25.856 16.722 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.040 24.436 17.546 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.637 24.035 18.108 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.882 25.063 16.710 1.00 50.00 H new ATOM 0 HE1 MET A 18 -2.743 20.878 16.759 1.00 50.00 H new ATOM 0 HE2 MET A 18 -3.469 22.231 17.658 1.00 50.00 H new ATOM 0 HE3 MET A 18 -3.955 21.919 15.975 1.00 50.00 H new ATOM 286 N ASP A 19 1.304 26.494 19.130 1.00 50.00 N ATOM 287 CA ASP A 19 2.617 26.498 19.836 1.00 50.00 C ATOM 288 C ASP A 19 3.058 27.935 20.131 1.00 50.00 C ATOM 289 O ASP A 19 3.972 28.169 20.897 1.00 50.00 O ATOM 290 CB ASP A 19 3.590 25.828 18.866 1.00 50.00 C ATOM 291 CG ASP A 19 4.932 25.603 19.564 1.00 50.00 C ATOM 292 OD1 ASP A 19 4.961 25.666 20.782 1.00 50.00 O ATOM 293 OD2 ASP A 19 5.908 25.370 18.869 1.00 50.00 O ATOM 0 H ASP A 19 1.270 27.043 18.271 1.00 50.00 H new ATOM 0 HA ASP A 19 2.571 25.978 20.793 1.00 50.00 H new ATOM 0 HB2 ASP A 19 3.182 24.877 18.524 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.727 26.452 17.983 1.00 50.00 H new ATOM 298 N ASP A 20 2.417 28.900 19.529 1.00 50.00 N ATOM 299 CA ASP A 20 2.804 30.318 19.778 1.00 50.00 C ATOM 300 C ASP A 20 2.529 30.692 21.238 1.00 50.00 C ATOM 301 O ASP A 20 3.434 30.974 21.997 1.00 50.00 O ATOM 302 CB ASP A 20 1.925 31.142 18.836 1.00 50.00 C ATOM 303 CG ASP A 20 2.782 32.192 18.125 1.00 50.00 C ATOM 304 OD1 ASP A 20 3.989 32.166 18.306 1.00 50.00 O ATOM 305 OD2 ASP A 20 2.217 33.006 17.412 1.00 50.00 O ATOM 0 H ASP A 20 1.644 28.768 18.877 1.00 50.00 H new ATOM 0 HA ASP A 20 3.865 30.494 19.600 1.00 50.00 H new ATOM 0 HB2 ASP A 20 1.448 30.490 18.104 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.127 31.628 19.398 1.00 50.00 H new ATOM 310 N ASP A 21 1.286 30.694 21.637 1.00 50.00 N ATOM 311 CA ASP A 21 0.958 31.047 23.048 1.00 50.00 C ATOM 312 C ASP A 21 1.212 29.849 23.966 1.00 50.00 C ATOM 313 O ASP A 21 0.973 29.901 25.156 1.00 50.00 O ATOM 314 CB ASP A 21 -0.529 31.406 23.034 1.00 50.00 C ATOM 315 CG ASP A 21 -0.689 32.908 22.790 1.00 50.00 C ATOM 316 OD1 ASP A 21 -0.153 33.389 21.804 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.346 33.552 23.591 1.00 50.00 O ATOM 0 H ASP A 21 0.485 30.467 21.048 1.00 50.00 H new ATOM 0 HA ASP A 21 1.571 31.868 23.420 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -1.043 30.843 22.254 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.990 31.130 23.982 1.00 50.00 H new ATOM 322 N ASP A 22 1.696 28.767 23.419 1.00 50.00 N ATOM 323 CA ASP A 22 1.966 27.565 24.259 1.00 50.00 C ATOM 324 C ASP A 22 0.748 27.239 25.122 1.00 50.00 C ATOM 325 O ASP A 22 0.851 27.063 26.321 1.00 50.00 O ATOM 326 CB ASP A 22 3.160 27.950 25.133 1.00 50.00 C ATOM 327 CG ASP A 22 4.401 27.191 24.660 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.373 26.680 23.553 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.359 27.134 25.414 1.00 50.00 O ATOM 0 H ASP A 22 1.916 28.663 22.428 1.00 50.00 H new ATOM 0 HA ASP A 22 2.173 26.679 23.658 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.334 29.025 25.077 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.952 27.714 26.177 1.00 50.00 H new ATOM 334 N LEU A 23 -0.406 27.153 24.521 1.00 50.00 N ATOM 335 CA LEU A 23 -1.633 26.833 25.304 1.00 50.00 C ATOM 336 C LEU A 23 -1.385 25.608 26.188 1.00 50.00 C ATOM 337 O LEU A 23 -1.735 25.585 27.350 1.00 50.00 O ATOM 338 CB LEU A 23 -2.704 26.535 24.253 1.00 50.00 C ATOM 339 CG LEU A 23 -4.093 26.792 24.843 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.152 28.204 25.429 1.00 50.00 C ATOM 341 CD2 LEU A 23 -5.145 26.658 23.740 1.00 50.00 C ATOM 0 H LEU A 23 -0.553 27.290 23.521 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.930 27.646 25.966 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.550 27.162 23.375 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -2.625 25.499 23.923 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.290 26.065 25.631 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -5.142 28.383 25.848 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -3.402 28.304 26.214 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.953 28.933 24.643 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -6.135 26.841 24.157 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.943 27.386 22.954 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -5.107 25.652 23.322 1.00 50.00 H new ATOM 353 N PHE A 24 -0.775 24.589 25.644 1.00 50.00 N ATOM 354 CA PHE A 24 -0.495 23.369 26.455 1.00 50.00 C ATOM 355 C PHE A 24 0.252 23.756 27.731 1.00 50.00 C ATOM 356 O PHE A 24 0.236 23.045 28.715 1.00 50.00 O ATOM 357 CB PHE A 24 0.391 22.496 25.564 1.00 50.00 C ATOM 358 CG PHE A 24 -0.472 21.626 24.683 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.253 20.613 25.249 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.487 21.832 23.298 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.052 19.805 24.431 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.285 21.025 22.480 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.068 20.011 23.045 1.00 50.00 C ATOM 0 H PHE A 24 -0.459 24.549 24.675 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.406 22.851 26.756 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.037 23.124 24.950 1.00 50.00 H new ATOM 0 HB3 PHE A 24 1.042 21.875 26.179 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.240 20.454 26.317 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.117 22.614 22.861 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.656 19.023 24.868 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.297 21.184 21.412 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.684 19.388 22.413 1.00 50.00 H new ATOM 373 N GLU A 25 0.912 24.883 27.715 1.00 50.00 N ATOM 374 CA GLU A 25 1.668 25.322 28.923 1.00 50.00 C ATOM 375 C GLU A 25 0.936 26.471 29.623 1.00 50.00 C ATOM 376 O GLU A 25 0.877 26.535 30.835 1.00 50.00 O ATOM 377 CB GLU A 25 3.021 25.794 28.392 1.00 50.00 C ATOM 378 CG GLU A 25 4.119 24.852 28.888 1.00 50.00 C ATOM 379 CD GLU A 25 5.113 25.636 29.748 1.00 50.00 C ATOM 380 OE1 GLU A 25 5.896 26.382 29.181 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.075 25.478 30.956 1.00 50.00 O ATOM 0 H GLU A 25 0.960 25.518 26.918 1.00 50.00 H new ATOM 0 HA GLU A 25 1.772 24.522 29.656 1.00 50.00 H new ATOM 0 HB2 GLU A 25 3.009 25.814 27.302 1.00 50.00 H new ATOM 0 HB3 GLU A 25 3.221 26.812 28.728 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.681 24.040 29.468 1.00 50.00 H new ATOM 0 HG3 GLU A 25 4.633 24.398 28.041 1.00 50.00 H new ATOM 388 N LYS A 26 0.380 27.381 28.871 1.00 50.00 N ATOM 389 CA LYS A 26 -0.345 28.524 29.498 1.00 50.00 C ATOM 390 C LYS A 26 -1.706 28.061 30.022 1.00 50.00 C ATOM 391 O LYS A 26 -2.228 28.596 30.980 1.00 50.00 O ATOM 392 CB LYS A 26 -0.521 29.548 28.377 1.00 50.00 C ATOM 393 CG LYS A 26 0.341 30.777 28.671 1.00 50.00 C ATOM 394 CD LYS A 26 0.317 31.721 27.468 1.00 50.00 C ATOM 395 CE LYS A 26 0.129 33.160 27.952 1.00 50.00 C ATOM 396 NZ LYS A 26 1.012 33.976 27.072 1.00 50.00 N ATOM 0 H LYS A 26 0.396 27.383 27.851 1.00 50.00 H new ATOM 0 HA LYS A 26 0.197 28.941 30.346 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.235 29.110 27.421 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.569 29.837 28.294 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -0.031 31.291 29.557 1.00 50.00 H new ATOM 0 HG3 LYS A 26 1.365 30.472 28.886 1.00 50.00 H new ATOM 0 HD2 LYS A 26 1.246 31.634 26.905 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -0.492 31.445 26.792 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -0.912 33.473 27.868 1.00 50.00 H new ATOM 0 HE3 LYS A 26 0.409 33.265 29.000 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 0.940 34.978 27.341 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 1.997 33.659 27.179 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 0.717 33.861 26.081 1.00 50.00 H new ATOM 410 N ALA A 27 -2.281 27.069 29.403 1.00 50.00 N ATOM 411 CA ALA A 27 -3.607 26.569 29.866 1.00 50.00 C ATOM 412 C ALA A 27 -3.484 25.997 31.281 1.00 50.00 C ATOM 413 O ALA A 27 -4.460 25.848 31.988 1.00 50.00 O ATOM 414 CB ALA A 27 -3.986 25.471 28.873 1.00 50.00 C ATOM 0 H ALA A 27 -1.891 26.582 28.596 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.359 27.357 29.904 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -4.954 25.051 29.147 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.044 25.892 27.869 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.231 24.685 28.894 1.00 50.00 H new ATOM 420 N ALA A 28 -2.290 25.677 31.699 1.00 50.00 N ATOM 421 CA ALA A 28 -2.103 25.116 33.067 1.00 50.00 C ATOM 422 C ALA A 28 -2.232 26.227 34.113 1.00 50.00 C ATOM 423 O ALA A 28 -2.556 25.981 35.257 1.00 50.00 O ATOM 424 CB ALA A 28 -0.687 24.542 33.070 1.00 50.00 C ATOM 0 H ALA A 28 -1.435 25.780 31.152 1.00 50.00 H new ATOM 0 HA ALA A 28 -2.850 24.360 33.310 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -0.472 24.109 34.047 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -0.606 23.770 32.305 1.00 50.00 H new ATOM 0 HB3 ALA A 28 0.028 25.337 32.861 1.00 50.00 H new ATOM 430 N ASP A 29 -1.981 27.447 33.726 1.00 50.00 N ATOM 431 CA ASP A 29 -2.089 28.574 34.696 1.00 50.00 C ATOM 432 C ASP A 29 -3.514 29.136 34.695 1.00 50.00 C ATOM 433 O ASP A 29 -3.828 30.057 35.423 1.00 50.00 O ATOM 434 CB ASP A 29 -1.098 29.624 34.195 1.00 50.00 C ATOM 435 CG ASP A 29 0.186 29.546 35.022 1.00 50.00 C ATOM 436 OD1 ASP A 29 0.587 28.443 35.356 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.746 30.591 35.311 1.00 50.00 O ATOM 0 H ASP A 29 -1.706 27.713 32.780 1.00 50.00 H new ATOM 0 HA ASP A 29 -1.871 28.263 35.718 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.876 29.457 33.141 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.535 30.619 34.274 1.00 50.00 H new ATOM 442 N ALA A 30 -4.378 28.590 33.884 1.00 50.00 N ATOM 443 CA ALA A 30 -5.780 29.094 33.839 1.00 50.00 C ATOM 444 C ALA A 30 -6.707 28.139 34.593 1.00 50.00 C ATOM 445 O ALA A 30 -7.219 28.457 35.648 1.00 50.00 O ATOM 446 CB ALA A 30 -6.143 29.132 32.354 1.00 50.00 C ATOM 0 H ALA A 30 -4.174 27.817 33.251 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.882 30.073 34.307 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.165 29.494 32.238 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.460 29.800 31.829 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.064 28.129 31.934 1.00 50.00 H new ATOM 452 N GLY A 31 -6.923 26.971 34.060 1.00 50.00 N ATOM 453 CA GLY A 31 -7.814 25.991 34.742 1.00 50.00 C ATOM 454 C GLY A 31 -9.044 25.724 33.874 1.00 50.00 C ATOM 455 O GLY A 31 -10.163 25.727 34.348 1.00 50.00 O ATOM 0 H GLY A 31 -6.520 26.651 33.179 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.276 25.061 34.924 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.120 26.378 35.714 1.00 50.00 H new ATOM 459 N LEU A 32 -8.850 25.493 32.604 1.00 50.00 N ATOM 460 CA LEU A 32 -10.012 25.226 31.711 1.00 50.00 C ATOM 461 C LEU A 32 -10.689 23.910 32.106 1.00 50.00 C ATOM 462 O LEU A 32 -10.209 23.185 32.954 1.00 50.00 O ATOM 463 CB LEU A 32 -9.417 25.122 30.306 1.00 50.00 C ATOM 464 CG LEU A 32 -8.919 26.498 29.860 1.00 50.00 C ATOM 465 CD1 LEU A 32 -8.206 26.368 28.513 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.109 27.450 29.717 1.00 50.00 C ATOM 0 H LEU A 32 -7.938 25.478 32.147 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.771 26.006 31.775 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.595 24.406 30.300 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -10.168 24.751 29.608 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.226 26.893 30.603 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.850 27.348 28.194 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.359 25.690 28.614 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -8.900 25.974 27.771 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.754 28.431 29.399 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -10.802 27.057 28.974 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.619 27.542 30.676 1.00 50.00 H new ATOM 478 N ASP A 33 -11.800 23.597 31.498 1.00 50.00 N ATOM 479 CA ASP A 33 -12.505 22.328 31.841 1.00 50.00 C ATOM 480 C ASP A 33 -11.591 21.127 31.584 1.00 50.00 C ATOM 481 O ASP A 33 -10.597 21.228 30.891 1.00 50.00 O ATOM 482 CB ASP A 33 -13.719 22.288 30.912 1.00 50.00 C ATOM 483 CG ASP A 33 -14.984 22.033 31.735 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.871 21.429 32.788 1.00 50.00 O ATOM 485 OD2 ASP A 33 -16.044 22.446 31.295 1.00 50.00 O ATOM 0 H ASP A 33 -12.250 24.164 30.779 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.793 22.286 32.891 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.808 23.230 30.372 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.594 21.503 30.166 1.00 50.00 H new ATOM 490 N GLY A 34 -11.919 19.990 32.135 1.00 50.00 N ATOM 491 CA GLY A 34 -11.070 18.784 31.923 1.00 50.00 C ATOM 492 C GLY A 34 -11.445 18.123 30.595 1.00 50.00 C ATOM 493 O GLY A 34 -10.661 17.406 30.004 1.00 50.00 O ATOM 0 H GLY A 34 -12.739 19.844 32.723 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -10.017 19.064 31.917 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.208 18.080 32.744 1.00 50.00 H new ATOM 497 N GLU A 35 -12.636 18.361 30.119 1.00 50.00 N ATOM 498 CA GLU A 35 -13.062 17.748 28.828 1.00 50.00 C ATOM 499 C GLU A 35 -12.442 18.510 27.653 1.00 50.00 C ATOM 500 O GLU A 35 -12.655 18.178 26.504 1.00 50.00 O ATOM 501 CB GLU A 35 -14.584 17.885 28.812 1.00 50.00 C ATOM 502 CG GLU A 35 -15.149 17.151 27.595 1.00 50.00 C ATOM 503 CD GLU A 35 -16.161 18.050 26.881 1.00 50.00 C ATOM 504 OE1 GLU A 35 -15.733 18.907 26.127 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.346 17.864 27.101 1.00 50.00 O ATOM 0 H GLU A 35 -13.334 18.954 30.568 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.744 16.709 28.736 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -15.007 17.472 29.728 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.865 18.938 28.778 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.343 16.881 26.913 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -15.628 16.223 27.907 1.00 50.00 H new ATOM 512 N ASP A 36 -11.679 19.531 27.935 1.00 50.00 N ATOM 513 CA ASP A 36 -11.047 20.320 26.838 1.00 50.00 C ATOM 514 C ASP A 36 -9.525 20.329 27.005 1.00 50.00 C ATOM 515 O ASP A 36 -8.787 20.053 26.080 1.00 50.00 O ATOM 516 CB ASP A 36 -11.614 21.731 26.996 1.00 50.00 C ATOM 517 CG ASP A 36 -13.131 21.697 26.790 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.811 21.137 27.633 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.585 22.231 25.792 1.00 50.00 O ATOM 0 H ASP A 36 -11.466 19.854 28.879 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.255 19.904 25.852 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.379 22.120 27.987 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.153 22.403 26.272 1.00 50.00 H new ATOM 524 N TYR A 37 -9.049 20.642 28.179 1.00 12.50 N ATOM 525 CA TYR A 37 -7.574 20.666 28.401 1.00 12.50 C ATOM 526 C TYR A 37 -7.218 19.919 29.689 1.00 12.50 C ATOM 527 O TYR A 37 -7.937 19.969 30.666 1.00 12.50 O ATOM 528 CB TYR A 37 -7.211 22.145 28.529 1.00 12.50 C ATOM 529 CG TYR A 37 -5.785 22.267 29.008 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.755 21.625 28.309 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.491 23.018 30.151 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.433 21.735 28.754 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.169 23.128 30.597 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.139 22.486 29.898 1.00 12.50 C ATOM 535 OH TYR A 37 -1.836 22.595 30.337 1.00 50.00 O ATOM 0 H TYR A 37 -9.615 20.882 28.993 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.032 20.181 27.589 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.328 22.645 27.568 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.886 22.638 29.229 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.981 21.045 27.426 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.285 23.513 30.690 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.639 21.240 28.214 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.943 23.708 31.480 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.232 22.614 29.566 1.00 50.00 H new ATOM 545 N GLY A 38 -6.110 19.230 29.697 1.00 10.00 N ATOM 546 CA GLY A 38 -5.709 18.484 30.924 1.00 10.00 C ATOM 547 C GLY A 38 -4.738 17.364 30.547 1.00 10.00 C ATOM 548 O GLY A 38 -4.640 16.972 29.402 1.00 10.00 O ATOM 0 H GLY A 38 -5.466 19.151 28.910 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.240 19.162 31.637 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.590 18.067 31.413 1.00 10.00 H new ATOM 552 N THR A 39 -4.021 16.843 31.504 1.00 10.00 N ATOM 553 CA THR A 39 -3.059 15.746 31.200 1.00 10.00 C ATOM 554 C THR A 39 -3.787 14.399 31.193 1.00 10.00 C ATOM 555 O THR A 39 -4.401 14.010 32.166 1.00 10.00 O ATOM 556 CB THR A 39 -2.030 15.795 32.330 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.560 17.127 32.483 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.856 14.873 31.994 1.00 50.00 C ATOM 0 H THR A 39 -4.059 17.129 32.482 1.00 10.00 H new ATOM 0 HA THR A 39 -2.592 15.862 30.222 1.00 10.00 H new ATOM 0 HB THR A 39 -2.494 15.464 33.259 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.934 17.338 31.759 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.123 14.909 32.800 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.218 13.851 31.877 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.390 15.201 31.065 1.00 50.00 H new ATOM 566 N MET A 40 -3.729 13.687 30.101 1.00 10.00 N ATOM 567 CA MET A 40 -4.423 12.369 30.034 1.00 10.00 C ATOM 568 C MET A 40 -3.501 11.252 30.527 1.00 10.00 C ATOM 569 O MET A 40 -2.506 10.934 29.906 1.00 10.00 O ATOM 570 CB MET A 40 -4.754 12.171 28.555 1.00 10.00 C ATOM 571 CG MET A 40 -5.877 11.142 28.419 1.00 10.00 C ATOM 572 SD MET A 40 -5.693 10.252 26.853 1.00 12.50 S ATOM 573 CE MET A 40 -6.723 11.352 25.849 1.00 50.00 C ATOM 0 H MET A 40 -3.232 13.960 29.253 1.00 10.00 H new ATOM 0 HA MET A 40 -5.314 12.344 30.662 1.00 10.00 H new ATOM 0 HB2 MET A 40 -5.058 13.118 28.109 1.00 10.00 H new ATOM 0 HB3 MET A 40 -3.869 11.834 28.015 1.00 10.00 H new ATOM 0 HG2 MET A 40 -5.846 10.442 29.254 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.846 11.639 28.456 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.285 10.763 25.124 1.00 50.00 H new ATOM 0 HE2 MET A 40 -7.416 11.891 26.495 1.00 50.00 H new ATOM 0 HE3 MET A 40 -6.088 12.065 25.323 1.00 50.00 H new ATOM 583 N GLU A 41 -3.828 10.648 31.637 1.00 10.00 N ATOM 584 CA GLU A 41 -2.974 9.546 32.165 1.00 10.00 C ATOM 585 C GLU A 41 -3.339 8.229 31.476 1.00 10.00 C ATOM 586 O GLU A 41 -4.369 7.642 31.746 1.00 10.00 O ATOM 587 CB GLU A 41 -3.294 9.478 33.658 1.00 10.00 C ATOM 588 CG GLU A 41 -2.001 9.614 34.465 1.00 10.00 C ATOM 589 CD GLU A 41 -1.783 11.081 34.837 1.00 12.50 C ATOM 590 OE1 GLU A 41 -1.352 11.832 33.978 1.00 12.50 O ATOM 591 OE2 GLU A 41 -2.053 11.430 35.975 1.00 12.50 O ATOM 0 H GLU A 41 -4.649 10.870 32.201 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.913 9.718 31.986 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -3.989 10.273 33.928 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.784 8.533 33.893 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -2.057 9.004 35.366 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.156 9.246 33.883 1.00 10.00 H new ATOM 598 N VAL A 42 -2.510 7.762 30.585 1.00 10.00 N ATOM 599 CA VAL A 42 -2.820 6.485 29.877 1.00 10.00 C ATOM 600 C VAL A 42 -1.873 5.376 30.340 1.00 10.00 C ATOM 601 O VAL A 42 -0.686 5.411 30.085 1.00 10.00 O ATOM 602 CB VAL A 42 -2.604 6.790 28.395 1.00 10.00 C ATOM 603 CG1 VAL A 42 -3.235 5.683 27.549 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.256 8.130 28.049 1.00 10.00 C ATOM 0 H VAL A 42 -1.633 8.207 30.316 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.834 6.139 30.079 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.535 6.842 28.187 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -3.081 5.900 26.492 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.771 4.728 27.794 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.304 5.631 27.757 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.102 8.347 26.992 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.325 8.079 28.257 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -2.806 8.920 28.651 1.00 10.00 H new ATOM 614 N ALA A 43 -2.391 4.387 31.013 1.00 10.00 N ATOM 615 CA ALA A 43 -1.523 3.272 31.488 1.00 10.00 C ATOM 616 C ALA A 43 -0.786 2.641 30.303 1.00 10.00 C ATOM 617 O ALA A 43 -1.184 2.786 29.164 1.00 10.00 O ATOM 618 CB ALA A 43 -2.483 2.266 32.120 1.00 50.00 C ATOM 0 H ALA A 43 -3.378 4.302 31.255 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.764 3.608 32.194 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.920 1.412 32.496 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -3.016 2.740 32.944 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.199 1.927 31.372 1.00 50.00 H new ATOM 624 N GLU A 44 0.285 1.942 30.562 1.00 10.00 N ATOM 625 CA GLU A 44 1.043 1.303 29.449 1.00 10.00 C ATOM 626 C GLU A 44 0.222 0.168 28.832 1.00 10.00 C ATOM 627 O GLU A 44 -0.100 -0.806 29.486 1.00 10.00 O ATOM 628 CB GLU A 44 2.314 0.757 30.100 1.00 10.00 C ATOM 629 CG GLU A 44 3.087 1.909 30.747 1.00 10.00 C ATOM 630 CD GLU A 44 4.236 1.345 31.584 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.696 0.260 31.268 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.638 2.007 32.526 1.00 25.00 O ATOM 0 H GLU A 44 0.668 1.786 31.495 1.00 10.00 H new ATOM 0 HA GLU A 44 1.266 2.004 28.644 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.059 0.008 30.850 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.935 0.262 29.353 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.476 2.577 29.979 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.421 2.500 31.376 1.00 10.00 H new ATOM 639 N GLY A 45 -0.120 0.285 27.579 1.00 10.00 N ATOM 640 CA GLY A 45 -0.922 -0.785 26.921 1.00 10.00 C ATOM 641 C GLY A 45 -2.406 -0.414 26.968 1.00 10.00 C ATOM 642 O GLY A 45 -3.245 -1.103 26.422 1.00 10.00 O ATOM 0 H GLY A 45 0.121 1.076 26.982 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.601 -0.911 25.887 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.759 -1.738 27.424 1.00 10.00 H new ATOM 646 N GLU A 46 -2.738 0.671 27.614 1.00 10.00 N ATOM 647 CA GLU A 46 -4.170 1.083 27.694 1.00 10.00 C ATOM 648 C GLU A 46 -4.571 1.853 26.433 1.00 10.00 C ATOM 649 O GLU A 46 -3.777 2.566 25.852 1.00 10.00 O ATOM 650 CB GLU A 46 -4.252 1.987 28.924 1.00 10.00 C ATOM 651 CG GLU A 46 -5.387 1.512 29.833 1.00 10.00 C ATOM 652 CD GLU A 46 -5.637 2.556 30.923 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.781 3.719 30.580 1.00 10.00 O ATOM 654 OE2 GLU A 46 -5.680 2.176 32.081 1.00 10.00 O ATOM 0 H GLU A 46 -2.081 1.290 28.089 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.843 0.229 27.770 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.306 1.968 29.466 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.424 3.019 28.619 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.294 1.356 29.249 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -5.129 0.554 30.284 1.00 10.00 H new ATOM 661 N TYR A 47 -5.797 1.716 26.007 1.00 10.00 N ATOM 662 CA TYR A 47 -6.247 2.443 24.785 1.00 10.00 C ATOM 663 C TYR A 47 -6.415 3.934 25.092 1.00 10.00 C ATOM 664 O TYR A 47 -6.968 4.309 26.107 1.00 10.00 O ATOM 665 CB TYR A 47 -7.594 1.815 24.416 1.00 10.00 C ATOM 666 CG TYR A 47 -7.504 0.312 24.535 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.283 -0.336 24.317 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.644 -0.433 24.862 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.200 -1.730 24.428 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.561 -1.827 24.974 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.340 -2.475 24.756 1.00 10.00 C ATOM 672 OH TYR A 47 -7.258 -3.847 24.866 1.00 10.00 O ATOM 0 H TYR A 47 -6.506 1.133 26.451 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.528 2.363 23.970 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.376 2.195 25.073 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.869 2.093 23.399 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.405 0.239 24.063 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.587 0.067 25.028 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.257 -2.230 24.261 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.439 -2.402 25.229 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.138 -4.210 25.100 1.00 10.00 H new ATOM 682 N ILE A 48 -5.941 4.785 24.225 1.00 10.00 N ATOM 683 CA ILE A 48 -6.071 6.250 24.470 1.00 10.00 C ATOM 684 C ILE A 48 -7.521 6.606 24.814 1.00 10.00 C ATOM 685 O ILE A 48 -7.795 7.210 25.833 1.00 10.00 O ATOM 686 CB ILE A 48 -5.654 6.910 23.156 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.176 6.618 22.886 1.00 10.00 C ATOM 688 CG2 ILE A 48 -5.865 8.422 23.255 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.312 7.390 23.884 1.00 10.00 C ATOM 0 H ILE A 48 -5.469 4.530 23.357 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.457 6.583 25.307 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.258 6.512 22.341 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.984 5.549 22.974 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.918 6.906 21.867 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.568 8.893 22.318 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.917 8.631 23.448 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.261 8.821 24.070 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.260 7.182 23.691 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -3.496 8.459 23.775 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.563 7.081 24.898 1.00 10.00 H new ATOM 701 N LEU A 49 -8.452 6.239 23.975 1.00 10.00 N ATOM 702 CA LEU A 49 -9.880 6.562 24.262 1.00 10.00 C ATOM 703 C LEU A 49 -10.277 6.033 25.643 1.00 10.00 C ATOM 704 O LEU A 49 -11.163 6.557 26.289 1.00 10.00 O ATOM 705 CB LEU A 49 -10.677 5.858 23.161 1.00 10.00 C ATOM 706 CG LEU A 49 -10.737 4.356 23.449 1.00 10.00 C ATOM 707 CD1 LEU A 49 -11.881 4.068 24.425 1.00 10.00 C ATOM 708 CD2 LEU A 49 -10.977 3.595 22.144 1.00 10.00 C ATOM 0 H LEU A 49 -8.287 5.731 23.106 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.066 7.636 24.272 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -11.685 6.269 23.109 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.211 6.034 22.192 1.00 10.00 H new ATOM 0 HG LEU A 49 -9.794 4.033 23.890 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -11.924 2.998 24.630 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -11.710 4.609 25.356 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.825 4.391 23.985 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -11.020 2.525 22.349 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -11.920 3.918 21.703 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -10.163 3.799 21.449 1.00 10.00 H new ATOM 720 N GLU A 50 -9.631 4.995 26.099 1.00 10.00 N ATOM 721 CA GLU A 50 -9.975 4.432 27.438 1.00 10.00 C ATOM 722 C GLU A 50 -9.464 5.353 28.549 1.00 10.00 C ATOM 723 O GLU A 50 -10.179 5.679 29.475 1.00 10.00 O ATOM 724 CB GLU A 50 -9.263 3.080 27.496 1.00 10.00 C ATOM 725 CG GLU A 50 -9.700 2.331 28.757 1.00 10.00 C ATOM 726 CD GLU A 50 -8.631 1.303 29.136 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.090 0.680 28.238 1.00 50.00 O ATOM 728 OE2 GLU A 50 -8.374 1.158 30.320 1.00 50.00 O ATOM 0 H GLU A 50 -8.881 4.512 25.604 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.052 4.333 27.577 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.501 2.492 26.609 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.183 3.225 27.501 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -9.851 3.034 29.576 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -10.654 1.833 28.585 1.00 10.00 H new ATOM 735 N ALA A 51 -8.230 5.770 28.467 1.00 10.00 N ATOM 736 CA ALA A 51 -7.674 6.666 29.522 1.00 10.00 C ATOM 737 C ALA A 51 -8.460 7.975 29.580 1.00 10.00 C ATOM 738 O ALA A 51 -8.710 8.517 30.639 1.00 10.00 O ATOM 739 CB ALA A 51 -6.227 6.925 29.101 1.00 12.50 C ATOM 0 H ALA A 51 -7.583 5.530 27.716 1.00 10.00 H new ATOM 0 HA ALA A 51 -7.736 6.219 30.514 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -5.748 7.579 29.829 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -5.687 5.979 29.052 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.213 7.402 28.121 1.00 12.50 H new ATOM 745 N ALA A 52 -8.854 8.485 28.449 1.00 10.00 N ATOM 746 CA ALA A 52 -9.627 9.761 28.436 1.00 10.00 C ATOM 747 C ALA A 52 -11.093 9.487 28.772 1.00 10.00 C ATOM 748 O ALA A 52 -11.727 10.227 29.496 1.00 10.00 O ATOM 749 CB ALA A 52 -9.489 10.297 27.011 1.00 10.00 C ATOM 0 H ALA A 52 -8.676 8.076 27.532 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.260 10.476 29.172 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.033 11.237 26.922 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.436 10.464 26.786 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.900 9.572 26.308 1.00 10.00 H new ATOM 755 N GLU A 53 -11.630 8.422 28.253 1.00 10.00 N ATOM 756 CA GLU A 53 -13.054 8.086 28.540 1.00 10.00 C ATOM 757 C GLU A 53 -13.232 7.800 30.034 1.00 10.00 C ATOM 758 O GLU A 53 -14.307 7.950 30.581 1.00 10.00 O ATOM 759 CB GLU A 53 -13.339 6.832 27.713 1.00 10.00 C ATOM 760 CG GLU A 53 -14.664 6.215 28.160 1.00 10.00 C ATOM 761 CD GLU A 53 -14.396 5.135 29.210 1.00 10.00 C ATOM 762 OE1 GLU A 53 -14.052 4.031 28.822 1.00 10.00 O ATOM 763 OE2 GLU A 53 -14.540 5.431 30.385 1.00 10.00 O ATOM 0 H GLU A 53 -11.145 7.766 27.640 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.734 8.900 28.288 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.383 7.085 26.654 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -12.531 6.111 27.836 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.315 6.985 28.573 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.184 5.784 27.304 1.00 10.00 H new ATOM 770 N ALA A 54 -12.183 7.394 30.697 1.00 10.00 N ATOM 771 CA ALA A 54 -12.289 7.103 32.155 1.00 10.00 C ATOM 772 C ALA A 54 -12.257 8.408 32.954 1.00 10.00 C ATOM 773 O ALA A 54 -12.589 8.442 34.123 1.00 10.00 O ATOM 774 CB ALA A 54 -11.066 6.244 32.479 1.00 50.00 C ATOM 0 H ALA A 54 -11.258 7.251 30.292 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.219 6.596 32.410 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.072 5.987 33.538 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.095 5.331 31.884 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.158 6.801 32.246 1.00 50.00 H new ATOM 780 N GLN A 55 -11.864 9.484 32.328 1.00 10.00 N ATOM 781 CA GLN A 55 -11.812 10.790 33.046 1.00 10.00 C ATOM 782 C GLN A 55 -13.071 11.605 32.741 1.00 10.00 C ATOM 783 O GLN A 55 -13.421 12.520 33.461 1.00 10.00 O ATOM 784 CB GLN A 55 -10.570 11.494 32.499 1.00 10.00 C ATOM 785 CG GLN A 55 -9.357 10.574 32.644 1.00 10.00 C ATOM 786 CD GLN A 55 -8.293 11.264 33.499 1.00 10.00 C ATOM 787 OE1 GLN A 55 -7.645 12.191 33.053 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.082 10.849 34.719 1.00 10.00 N ATOM 0 H GLN A 55 -11.576 9.515 31.350 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.765 10.668 34.128 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.719 11.755 31.451 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.400 12.426 33.039 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.655 9.632 33.105 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.950 10.334 31.662 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.625 10.071 35.094 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.374 11.302 35.297 1.00 10.00 H new ATOM 797 N GLY A 56 -13.756 11.281 31.677 1.00 10.00 N ATOM 798 CA GLY A 56 -14.991 12.037 31.325 1.00 10.00 C ATOM 799 C GLY A 56 -14.734 12.882 30.076 1.00 10.00 C ATOM 800 O GLY A 56 -15.280 13.956 29.919 1.00 10.00 O ATOM 0 H GLY A 56 -13.513 10.525 31.037 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.815 11.346 31.146 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.287 12.678 32.156 1.00 10.00 H new ATOM 804 N TYR A 57 -13.905 12.407 29.187 1.00 10.00 N ATOM 805 CA TYR A 57 -13.612 13.186 27.950 1.00 10.00 C ATOM 806 C TYR A 57 -14.502 12.714 26.798 1.00 10.00 C ATOM 807 O TYR A 57 -14.805 11.544 26.671 1.00 10.00 O ATOM 808 CB TYR A 57 -12.142 12.898 27.635 1.00 10.00 C ATOM 809 CG TYR A 57 -11.255 13.446 28.735 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.806 14.171 29.801 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.874 13.224 28.682 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.976 14.672 30.810 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.044 13.724 29.692 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.595 14.448 30.756 1.00 12.50 C ATOM 815 OH TYR A 57 -8.777 14.941 31.751 1.00 12.50 O ATOM 0 H TYR A 57 -13.418 11.514 29.263 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.802 14.251 28.085 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.988 11.824 27.534 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.872 13.350 26.681 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.871 14.343 29.843 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.448 12.666 27.861 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.401 15.231 31.630 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -7.979 13.551 29.651 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.275 15.711 31.410 1.00 12.50 H new ATOM 825 N ASP A 58 -14.916 13.617 25.951 1.00 10.00 N ATOM 826 CA ASP A 58 -15.777 13.222 24.801 1.00 10.00 C ATOM 827 C ASP A 58 -14.963 13.264 23.505 1.00 10.00 C ATOM 828 O ASP A 58 -14.026 14.026 23.378 1.00 10.00 O ATOM 829 CB ASP A 58 -16.902 14.259 24.768 1.00 10.00 C ATOM 830 CG ASP A 58 -16.370 15.578 24.202 1.00 10.00 C ATOM 831 OD1 ASP A 58 -15.541 16.190 24.855 1.00 10.00 O ATOM 832 OD2 ASP A 58 -16.800 15.954 23.123 1.00 10.00 O ATOM 0 H ASP A 58 -14.695 14.611 26.006 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.168 12.209 24.901 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.727 13.896 24.155 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.295 14.415 25.772 1.00 10.00 H new ATOM 837 N TRP A 59 -15.308 12.454 22.544 1.00 10.00 N ATOM 838 CA TRP A 59 -14.544 12.457 21.263 1.00 10.00 C ATOM 839 C TRP A 59 -15.496 12.275 20.078 1.00 10.00 C ATOM 840 O TRP A 59 -16.301 11.365 20.062 1.00 10.00 O ATOM 841 CB TRP A 59 -13.581 11.275 21.374 1.00 10.00 C ATOM 842 CG TRP A 59 -12.731 11.446 22.593 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.125 11.169 23.856 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.358 11.928 22.688 1.00 10.00 C ATOM 845 NE1 TRP A 59 -12.084 11.456 24.721 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.974 11.925 24.049 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.420 12.364 21.736 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.705 12.338 24.453 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.141 12.783 22.140 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.785 12.769 23.496 1.00 50.00 C ATOM 0 H TRP A 59 -16.083 11.792 22.588 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.015 13.396 21.098 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.139 10.340 21.433 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.954 11.216 20.484 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -14.093 10.786 24.143 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -12.131 11.335 25.733 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.684 12.377 20.689 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.436 12.324 25.499 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.428 13.118 21.401 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.800 13.091 23.800 1.00 50.00 H new ATOM 861 N PRO A 60 -15.370 13.157 19.123 1.00 10.00 N ATOM 862 CA PRO A 60 -16.232 13.102 17.916 1.00 10.00 C ATOM 863 C PRO A 60 -15.831 11.926 17.022 1.00 10.00 C ATOM 864 O PRO A 60 -15.010 11.107 17.386 1.00 10.00 O ATOM 865 CB PRO A 60 -15.958 14.433 17.221 1.00 10.00 C ATOM 866 CG PRO A 60 -14.597 14.842 17.691 1.00 10.00 C ATOM 867 CD PRO A 60 -14.422 14.277 19.077 1.00 10.00 C ATOM 0 HA PRO A 60 -17.287 12.957 18.149 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.985 14.325 16.137 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.708 15.178 17.486 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.827 14.462 17.020 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.503 15.928 17.702 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.399 13.942 19.246 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.644 15.020 19.843 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.697 10.854 17.184 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.603 12.076 16.335 1.00 10.00 C ATOM 1013 C ALA A 72 -9.843 13.177 17.082 1.00 10.00 C ATOM 1014 O ALA A 72 -10.431 13.998 17.759 1.00 10.00 O ATOM 1015 CB ALA A 72 -12.051 12.499 16.085 1.00 10.00 C ATOM 0 HA ALA A 72 -10.067 11.893 15.404 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.066 13.395 15.465 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.582 11.695 15.575 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.538 12.708 17.037 1.00 10.00 H new ATOM 1021 N SER A 73 -8.541 13.200 16.971 1.00 10.00 N ATOM 1022 CA SER A 73 -7.753 14.249 17.684 1.00 10.00 C ATOM 1023 C SER A 73 -6.631 14.782 16.789 1.00 10.00 C ATOM 1024 O SER A 73 -6.576 14.499 15.609 1.00 10.00 O ATOM 1025 CB SER A 73 -7.168 13.543 18.905 1.00 50.00 C ATOM 1026 OG SER A 73 -7.051 12.153 18.638 1.00 50.00 O ATOM 0 H SER A 73 -7.991 12.541 16.420 1.00 10.00 H new ATOM 0 HA SER A 73 -8.369 15.105 17.959 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.191 13.961 19.147 1.00 50.00 H new ATOM 0 HB3 SER A 73 -7.807 13.705 19.773 1.00 50.00 H new ATOM 0 HG SER A 73 -7.809 11.678 19.038 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.736 15.551 17.347 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.615 16.107 16.537 1.00 10.00 C ATOM 1034 C ILE A 74 -3.324 16.130 17.363 1.00 10.00 C ATOM 1035 O ILE A 74 -2.936 17.150 17.896 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.050 17.531 16.187 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.317 17.481 15.332 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.935 18.226 15.404 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.012 16.778 14.008 1.00 10.00 C ATOM 0 H ILE A 74 -5.733 15.819 18.331 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.413 15.510 15.648 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.251 18.085 17.104 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.107 16.951 15.864 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.682 18.491 15.144 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.244 19.241 15.154 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.031 18.261 16.012 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.734 17.672 14.487 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.915 16.742 13.399 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.236 17.327 13.475 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.668 15.763 14.206 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.657 15.012 17.473 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.391 14.977 18.266 1.00 10.00 C ATOM 1053 C VAL A 75 -0.532 16.201 17.943 1.00 10.00 C ATOM 1054 O VAL A 75 -0.138 16.412 16.812 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.684 13.693 17.828 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.529 13.691 16.306 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.696 13.620 18.484 1.00 50.00 C ATOM 0 H VAL A 75 -2.931 14.125 17.051 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.575 14.994 19.340 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.275 12.830 18.134 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -0.025 12.777 15.993 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.513 13.741 15.840 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.062 14.554 15.999 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.199 12.705 18.172 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.289 14.482 18.180 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.584 13.620 19.568 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.239 17.013 18.923 1.00 10.00 N ATOM 1068 CA LYS A 76 0.592 18.221 18.660 1.00 10.00 C ATOM 1069 C LYS A 76 2.070 17.919 18.915 1.00 10.00 C ATOM 1070 O LYS A 76 2.941 18.687 18.552 1.00 10.00 O ATOM 1071 CB LYS A 76 0.082 19.275 19.643 1.00 25.00 C ATOM 1072 CG LYS A 76 -0.576 20.419 18.868 1.00 25.00 C ATOM 1073 CD LYS A 76 0.439 21.032 17.899 1.00 50.00 C ATOM 1074 CE LYS A 76 1.144 22.212 18.573 1.00 50.00 C ATOM 1075 NZ LYS A 76 2.163 22.664 17.585 1.00 50.00 N ATOM 0 H LYS A 76 -0.538 16.892 19.891 1.00 10.00 H new ATOM 0 HA LYS A 76 0.514 18.556 17.626 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.635 18.829 20.332 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.907 19.656 20.245 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -1.441 20.049 18.318 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -0.939 21.179 19.560 1.00 25.00 H new ATOM 0 HD2 LYS A 76 1.170 20.281 17.599 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -0.065 21.366 16.992 1.00 50.00 H new ATOM 0 HE2 LYS A 76 0.440 23.011 18.808 1.00 50.00 H new ATOM 0 HE3 LYS A 76 1.610 21.911 19.511 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 3.104 22.652 18.027 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 2.158 22.025 16.764 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 1.939 23.631 17.273 1.00 50.00 H new ATOM 1089 N GLU A 77 2.365 16.810 19.535 1.00 10.00 N ATOM 1090 CA GLU A 77 3.792 16.468 19.808 1.00 10.00 C ATOM 1091 C GLU A 77 3.890 15.125 20.535 1.00 10.00 C ATOM 1092 O GLU A 77 3.399 14.966 21.633 1.00 10.00 O ATOM 1093 CB GLU A 77 4.305 17.596 20.703 1.00 10.00 C ATOM 1094 CG GLU A 77 5.742 17.947 20.310 1.00 10.00 C ATOM 1095 CD GLU A 77 6.582 18.142 21.575 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.018 18.540 22.581 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.775 17.892 21.515 1.00 25.00 O ATOM 0 H GLU A 77 1.683 16.127 19.864 1.00 10.00 H new ATOM 0 HA GLU A 77 4.373 16.375 18.891 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.665 18.473 20.604 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.267 17.291 21.749 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.167 17.153 19.697 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.754 18.856 19.708 1.00 10.00 H new ATOM 1104 N GLY A 78 4.522 14.156 19.931 1.00 10.00 N ATOM 1105 CA GLY A 78 4.649 12.828 20.593 1.00 10.00 C ATOM 1106 C GLY A 78 4.452 11.721 19.557 1.00 10.00 C ATOM 1107 O GLY A 78 4.365 11.977 18.371 1.00 10.00 O ATOM 0 H GLY A 78 4.955 14.227 19.010 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.630 12.734 21.059 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.909 12.733 21.387 1.00 10.00 H new ATOM 1111 N GLU A 79 4.378 10.495 19.993 1.00 10.00 N ATOM 1112 CA GLU A 79 4.184 9.371 19.031 1.00 10.00 C ATOM 1113 C GLU A 79 3.288 8.297 19.650 1.00 10.00 C ATOM 1114 O GLU A 79 3.542 7.813 20.734 1.00 10.00 O ATOM 1115 CB GLU A 79 5.587 8.819 18.779 1.00 25.00 C ATOM 1116 CG GLU A 79 6.084 8.095 20.032 1.00 25.00 C ATOM 1117 CD GLU A 79 7.606 7.950 19.968 1.00 50.00 C ATOM 1118 OE1 GLU A 79 8.247 8.865 19.479 1.00 50.00 O ATOM 1119 OE2 GLU A 79 8.103 6.927 20.408 1.00 50.00 O ATOM 0 H GLU A 79 4.443 10.221 20.973 1.00 10.00 H new ATOM 0 HA GLU A 79 3.702 9.694 18.108 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.573 8.133 17.932 1.00 25.00 H new ATOM 0 HB3 GLU A 79 6.268 9.630 18.521 1.00 25.00 H new ATOM 0 HG2 GLU A 79 5.798 8.652 20.924 1.00 25.00 H new ATOM 0 HG3 GLU A 79 5.617 7.113 20.107 1.00 25.00 H new ATOM 1126 N ILE A 80 2.240 7.923 18.971 1.00 10.00 N ATOM 1127 CA ILE A 80 1.329 6.881 19.524 1.00 10.00 C ATOM 1128 C ILE A 80 1.438 5.593 18.704 1.00 10.00 C ATOM 1129 O ILE A 80 1.822 5.610 17.551 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.073 7.479 19.404 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.139 8.788 20.194 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.098 6.493 19.967 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.423 9.536 19.836 1.00 50.00 C ATOM 0 H ILE A 80 1.975 8.293 18.058 1.00 10.00 H new ATOM 0 HA ILE A 80 1.574 6.621 20.554 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.295 7.675 18.355 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.112 8.581 21.264 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.730 9.406 19.967 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.098 6.919 19.882 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.052 5.560 19.405 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -0.876 6.296 21.016 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.470 10.468 20.399 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -1.430 9.756 18.768 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.286 8.918 20.085 1.00 50.00 H new ATOM 1145 N ASP A 81 1.104 4.476 19.291 1.00 10.00 N ATOM 1146 CA ASP A 81 1.190 3.189 18.545 1.00 10.00 C ATOM 1147 C ASP A 81 -0.184 2.810 17.984 1.00 10.00 C ATOM 1148 O ASP A 81 -1.148 2.681 18.710 1.00 10.00 O ATOM 1149 CB ASP A 81 1.648 2.163 19.583 1.00 10.00 C ATOM 1150 CG ASP A 81 3.139 1.875 19.390 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.898 2.826 19.298 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.494 0.710 19.335 1.00 10.00 O ATOM 0 H ASP A 81 0.776 4.399 20.254 1.00 10.00 H new ATOM 0 HA ASP A 81 1.873 3.246 17.698 1.00 10.00 H new ATOM 0 HB2 ASP A 81 1.467 2.541 20.589 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.072 1.243 19.480 1.00 10.00 H new ATOM 1157 N MET A 82 -0.278 2.632 16.694 1.00 12.50 N ATOM 1158 CA MET A 82 -1.589 2.262 16.087 1.00 12.50 C ATOM 1159 C MET A 82 -1.436 1.014 15.214 1.00 12.50 C ATOM 1160 O MET A 82 -1.078 1.097 14.055 1.00 12.50 O ATOM 1161 CB MET A 82 -1.983 3.469 15.235 1.00 12.50 C ATOM 1162 CG MET A 82 -3.203 3.119 14.380 1.00 12.50 C ATOM 1163 SD MET A 82 -3.265 4.216 12.941 1.00 12.50 S ATOM 1164 CE MET A 82 -3.111 2.934 11.673 1.00 50.00 C ATOM 0 H MET A 82 0.495 2.727 16.035 1.00 12.50 H new ATOM 0 HA MET A 82 -2.343 2.030 16.840 1.00 12.50 H new ATOM 0 HB2 MET A 82 -2.208 4.321 15.876 1.00 12.50 H new ATOM 0 HB3 MET A 82 -1.151 3.763 14.596 1.00 12.50 H new ATOM 0 HG2 MET A 82 -3.148 2.080 14.056 1.00 12.50 H new ATOM 0 HG3 MET A 82 -4.115 3.222 14.969 1.00 12.50 H new ATOM 0 HE1 MET A 82 -3.126 3.395 10.686 1.00 50.00 H new ATOM 0 HE2 MET A 82 -2.171 2.399 11.809 1.00 50.00 H new ATOM 0 HE3 MET A 82 -3.943 2.235 11.760 1.00 50.00 H new ATOM 1174 N ASP A 83 -1.707 -0.142 15.756 1.00 50.00 N ATOM 1175 CA ASP A 83 -1.578 -1.388 14.951 1.00 50.00 C ATOM 1176 C ASP A 83 -2.232 -1.195 13.580 1.00 50.00 C ATOM 1177 O ASP A 83 -3.009 -0.283 13.377 1.00 50.00 O ATOM 1178 CB ASP A 83 -2.322 -2.457 15.752 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.770 -2.015 15.968 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -3.967 -0.985 16.592 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -4.657 -2.713 15.506 1.00 50.00 O ATOM 0 H ASP A 83 -2.012 -0.277 16.720 1.00 50.00 H new ATOM 0 HA ASP A 83 -0.538 -1.662 14.775 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -2.296 -3.409 15.221 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -1.831 -2.615 16.712 1.00 50.00 H new ATOM 1275 N SER A 89 -0.951 6.774 6.881 1.00 12.50 N ATOM 1276 CA SER A 89 0.461 7.072 6.507 1.00 12.50 C ATOM 1277 C SER A 89 1.061 8.098 7.471 1.00 12.50 C ATOM 1278 O SER A 89 0.353 8.778 8.189 1.00 12.50 O ATOM 1279 CB SER A 89 0.384 7.648 5.092 1.00 12.50 C ATOM 1280 OG SER A 89 1.692 7.744 4.548 1.00 12.50 O ATOM 0 HA SER A 89 1.094 6.186 6.553 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.238 7.012 4.462 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.086 8.631 5.113 1.00 12.50 H new ATOM 0 HG SER A 89 1.634 7.958 3.593 1.00 12.50 H new ATOM 1286 N ASP A 90 2.359 8.215 7.495 1.00 10.00 N ATOM 1287 CA ASP A 90 3.003 9.197 8.414 1.00 10.00 C ATOM 1288 C ASP A 90 2.650 10.626 7.997 1.00 10.00 C ATOM 1289 O ASP A 90 2.540 11.515 8.817 1.00 10.00 O ATOM 1290 CB ASP A 90 4.505 8.951 8.267 1.00 10.00 C ATOM 1291 CG ASP A 90 4.876 8.938 6.783 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.469 8.012 6.099 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.559 9.853 6.355 1.00 10.00 O ATOM 0 H ASP A 90 3.003 7.673 6.918 1.00 10.00 H new ATOM 0 HA ASP A 90 2.669 9.077 9.444 1.00 10.00 H new ATOM 0 HB2 ASP A 90 5.064 9.729 8.786 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.776 8.002 8.729 1.00 10.00 H new ATOM 1298 N GLU A 91 2.469 10.853 6.727 1.00 12.50 N ATOM 1299 CA GLU A 91 2.121 12.226 6.261 1.00 12.50 C ATOM 1300 C GLU A 91 0.827 12.697 6.928 1.00 12.50 C ATOM 1301 O GLU A 91 0.582 13.878 7.066 1.00 12.50 O ATOM 1302 CB GLU A 91 1.928 12.095 4.750 1.00 12.50 C ATOM 1303 CG GLU A 91 0.687 11.246 4.468 1.00 12.50 C ATOM 1304 CD GLU A 91 0.827 10.574 3.100 1.00 50.00 C ATOM 1305 OE1 GLU A 91 1.901 10.661 2.528 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.142 9.986 2.649 1.00 50.00 O ATOM 0 H GLU A 91 2.546 10.150 5.992 1.00 12.50 H new ATOM 0 HA GLU A 91 2.892 12.955 6.511 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.817 13.081 4.300 1.00 12.50 H new ATOM 0 HB3 GLU A 91 2.807 11.635 4.298 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.566 10.491 5.245 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -0.206 11.871 4.488 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.003 11.780 7.342 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.282 12.173 8.001 1.00 10.00 C ATOM 1315 C GLU A 92 -1.028 12.578 9.456 1.00 10.00 C ATOM 1316 O GLU A 92 -1.672 13.463 9.984 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.160 10.923 7.933 1.00 50.00 C ATOM 1318 CG GLU A 92 -2.723 10.773 6.519 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.148 10.220 6.591 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -4.813 10.480 7.579 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -4.549 9.548 5.655 1.00 50.00 O ATOM 0 H GLU A 92 0.148 10.775 7.253 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.752 13.028 7.515 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.577 10.041 8.200 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.974 10.997 8.654 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -2.722 11.738 6.012 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -2.092 10.104 5.934 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.092 11.940 10.108 1.00 10.00 N ATOM 1329 CA VAL A 93 0.198 12.297 11.528 1.00 10.00 C ATOM 1330 C VAL A 93 1.059 13.564 11.584 1.00 10.00 C ATOM 1331 O VAL A 93 1.129 14.237 12.593 1.00 10.00 O ATOM 1332 CB VAL A 93 0.959 11.093 12.096 1.00 10.00 C ATOM 1333 CG1 VAL A 93 2.420 11.135 11.638 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.905 11.132 13.624 1.00 10.00 C ATOM 0 H VAL A 93 0.482 11.191 9.721 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.707 12.504 12.099 1.00 10.00 H new ATOM 0 HB VAL A 93 0.496 10.175 11.735 1.00 10.00 H new ATOM 0 HG11 VAL A 93 2.954 10.277 12.046 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.461 11.104 10.549 1.00 10.00 H new ATOM 0 HG13 VAL A 93 2.886 12.054 11.993 1.00 10.00 H new ATOM 0 HG21 VAL A 93 1.446 10.277 14.029 1.00 10.00 H new ATOM 0 HG22 VAL A 93 1.364 12.054 13.981 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.134 11.093 13.952 1.00 10.00 H new ATOM 1344 N GLU A 94 1.711 13.894 10.503 1.00 12.50 N ATOM 1345 CA GLU A 94 2.560 15.118 10.488 1.00 12.50 C ATOM 1346 C GLU A 94 1.789 16.268 9.834 1.00 12.50 C ATOM 1347 O GLU A 94 1.863 17.402 10.262 1.00 12.50 O ATOM 1348 CB GLU A 94 3.785 14.742 9.653 1.00 12.50 C ATOM 1349 CG GLU A 94 4.806 15.881 9.702 1.00 12.50 C ATOM 1350 CD GLU A 94 5.458 16.042 8.327 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.717 15.031 7.694 1.00 12.50 O ATOM 1352 OE2 GLU A 94 5.687 17.173 7.930 1.00 12.50 O ATOM 0 H GLU A 94 1.692 13.368 9.629 1.00 12.50 H new ATOM 0 HA GLU A 94 2.843 15.447 11.488 1.00 12.50 H new ATOM 0 HB2 GLU A 94 4.231 13.823 10.035 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.490 14.548 8.622 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.317 16.810 9.995 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.566 15.670 10.454 1.00 12.50 H new ATOM 1359 N GLU A 95 1.043 15.978 8.803 1.00 12.50 N ATOM 1360 CA GLU A 95 0.257 17.048 8.125 1.00 12.50 C ATOM 1361 C GLU A 95 -1.145 17.135 8.737 1.00 12.50 C ATOM 1362 O GLU A 95 -1.767 18.177 8.743 1.00 12.50 O ATOM 1363 CB GLU A 95 0.176 16.614 6.661 1.00 25.00 C ATOM 1364 CG GLU A 95 0.089 17.852 5.766 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.377 18.138 5.434 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.213 17.913 6.293 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.638 18.576 4.325 1.00 50.00 O ATOM 0 H GLU A 95 0.944 15.046 8.401 1.00 12.50 H new ATOM 0 HA GLU A 95 0.716 18.031 8.232 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.052 16.022 6.397 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.696 15.979 6.507 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.533 18.710 6.270 1.00 25.00 H new ATOM 0 HG3 GLU A 95 0.656 17.692 4.849 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.643 16.044 9.252 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.003 16.057 9.866 1.00 25.00 C ATOM 1376 C LYS A 96 -2.897 15.889 11.384 1.00 25.00 C ATOM 1377 O LYS A 96 -3.810 16.210 12.119 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.730 14.864 9.243 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.911 15.363 8.407 1.00 25.00 C ATOM 1380 CD LYS A 96 -4.393 15.967 7.100 1.00 25.00 C ATOM 1381 CE LYS A 96 -4.019 14.842 6.130 1.00 25.00 C ATOM 1382 NZ LYS A 96 -5.025 14.930 5.036 1.00 25.00 N ATOM 0 H LYS A 96 -1.167 15.142 9.274 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.530 16.994 9.686 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.044 14.293 8.617 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -4.083 14.191 10.025 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.593 14.540 8.194 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.476 16.109 8.966 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -5.155 16.607 6.655 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -3.525 16.596 7.297 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -3.007 14.971 5.747 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -4.053 13.869 6.621 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -4.836 14.190 4.330 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -5.978 14.797 5.430 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -4.964 15.864 4.583 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.788 15.389 11.859 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.619 15.201 13.329 1.00 10.00 C ATOM 1398 C ASP A 97 -2.714 14.284 13.880 1.00 10.00 C ATOM 1399 O ASP A 97 -2.951 14.234 15.070 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.746 16.603 13.925 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.357 17.236 14.036 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.498 16.883 13.242 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -0.174 18.064 14.914 1.00 50.00 O ATOM 0 H ASP A 97 -0.990 15.102 11.292 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.665 14.736 13.576 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.390 17.220 13.298 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -2.214 16.551 14.908 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.383 13.559 13.027 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.463 12.650 13.510 1.00 10.00 C ATOM 1410 C VAL A 98 -3.879 11.288 13.898 1.00 10.00 C ATOM 1411 O VAL A 98 -2.802 10.919 13.475 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.420 12.507 12.327 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -4.676 11.887 11.141 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.590 11.603 12.721 1.00 50.00 C ATOM 0 H VAL A 98 -3.230 13.556 12.019 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.965 13.041 14.395 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.799 13.490 12.047 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -5.358 11.785 10.297 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -3.842 12.530 10.858 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -4.297 10.904 11.423 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -7.272 11.502 11.877 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.212 10.620 13.002 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -7.121 12.042 13.565 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.584 10.538 14.701 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.071 9.202 15.117 1.00 10.00 C ATOM 1426 C ARG A 99 -5.222 8.323 15.613 1.00 10.00 C ATOM 1427 O ARG A 99 -6.103 8.775 16.318 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.091 9.491 16.254 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.044 8.379 16.319 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.680 8.939 15.912 1.00 50.00 C ATOM 1431 NE ARG A 99 0.198 7.742 15.779 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.972 7.613 14.735 1.00 50.00 C ATOM 1433 NH1 ARG A 99 0.503 7.851 13.541 1.00 50.00 N ATOM 1434 NH2 ARG A 99 2.214 7.243 14.888 1.00 50.00 N ATOM 0 H ARG A 99 -5.493 10.793 15.087 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.596 8.668 14.294 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.605 10.454 16.094 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.626 9.557 17.201 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.995 7.970 17.328 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -2.326 7.561 15.656 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.743 9.490 14.974 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.296 9.630 16.662 1.00 50.00 H new ATOM 0 HE ARG A 99 0.194 7.024 16.503 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -0.469 8.138 13.423 1.00 50.00 H new ATOM 0 HH12 ARG A 99 1.108 7.750 12.726 1.00 50.00 H new ATOM 0 HH21 ARG A 99 2.579 7.055 15.822 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.820 7.142 14.074 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.221 7.070 15.249 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.315 6.162 15.698 1.00 10.00 C ATOM 1450 C LEU A 100 -6.378 6.119 17.226 1.00 10.00 C ATOM 1451 O LEU A 100 -5.535 5.534 17.877 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.942 4.788 15.141 1.00 10.00 C ATOM 1453 CG LEU A 100 -7.215 4.007 14.812 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -7.950 4.695 13.659 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -6.846 2.579 14.402 1.00 10.00 C ATOM 0 H LEU A 100 -4.510 6.636 14.660 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.293 6.494 15.350 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.330 4.901 14.246 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.344 4.239 15.869 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.861 3.977 15.689 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -8.858 4.140 13.423 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -8.212 5.712 13.950 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -7.304 4.724 12.781 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -7.753 2.022 14.167 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -6.201 2.608 13.524 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -6.321 2.089 15.222 1.00 10.00 H new ATOM 1467 N THR A 101 -7.374 6.732 17.804 1.00 10.00 N ATOM 1468 CA THR A 101 -7.494 6.725 19.290 1.00 10.00 C ATOM 1469 C THR A 101 -8.064 5.386 19.767 1.00 10.00 C ATOM 1470 O THR A 101 -8.067 5.088 20.945 1.00 10.00 O ATOM 1471 CB THR A 101 -8.459 7.867 19.615 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.112 9.011 18.848 1.00 10.00 O ATOM 1473 CG2 THR A 101 -8.370 8.202 21.104 1.00 10.00 C ATOM 0 H THR A 101 -8.110 7.238 17.312 1.00 10.00 H new ATOM 0 HA THR A 101 -6.531 6.854 19.784 1.00 10.00 H new ATOM 0 HB THR A 101 -9.478 7.563 19.373 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.730 9.743 19.054 1.00 10.00 H new ATOM 0 HG21 THR A 101 -9.057 9.016 21.336 1.00 10.00 H new ATOM 0 HG22 THR A 101 -8.637 7.323 21.691 1.00 10.00 H new ATOM 0 HG23 THR A 101 -7.352 8.506 21.348 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.542 4.578 18.861 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.109 3.257 19.262 1.00 10.00 C ATOM 1483 C CYS A 102 -8.032 2.172 19.166 1.00 10.00 C ATOM 1484 O CYS A 102 -7.311 2.087 18.192 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.231 2.982 18.259 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.520 4.242 18.422 1.00 10.00 S ATOM 0 H CYS A 102 -8.565 4.774 17.860 1.00 10.00 H new ATOM 0 HA CYS A 102 -9.473 3.260 20.289 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.833 2.985 17.244 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -10.653 1.992 18.433 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.469 4.005 17.566 1.00 10.00 H new ATOM 1491 N ILE A 103 -7.918 1.343 20.166 1.00 10.00 N ATOM 1492 CA ILE A 103 -6.889 0.264 20.125 1.00 10.00 C ATOM 1493 C ILE A 103 -5.499 0.866 19.895 1.00 10.00 C ATOM 1494 O ILE A 103 -4.568 0.177 19.529 1.00 10.00 O ATOM 1495 CB ILE A 103 -7.289 -0.621 18.944 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -8.668 -1.229 19.205 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -6.260 -1.741 18.774 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -9.649 -0.745 18.135 1.00 50.00 C ATOM 0 H ILE A 103 -8.491 1.365 21.009 1.00 10.00 H new ATOM 0 HA ILE A 103 -6.843 -0.297 21.059 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.324 -0.020 18.035 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -8.606 -2.317 19.191 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -9.022 -0.942 20.195 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -6.545 -2.372 17.932 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -5.278 -1.307 18.586 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -6.223 -2.342 19.682 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -10.632 -1.178 18.320 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.719 0.342 18.170 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -9.296 -1.054 17.151 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.352 2.145 20.108 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.022 2.785 19.900 1.00 10.00 C ATOM 1512 C GLY A 104 -3.374 3.056 21.258 1.00 10.00 C ATOM 1513 O GLY A 104 -3.973 3.644 22.136 1.00 10.00 O ATOM 0 H GLY A 104 -6.094 2.774 20.416 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.383 2.136 19.302 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.137 3.717 19.346 1.00 10.00 H new ATOM 1517 N SER A 105 -2.153 2.633 21.439 1.00 10.00 N ATOM 1518 CA SER A 105 -1.468 2.869 22.742 1.00 10.00 C ATOM 1519 C SER A 105 -0.368 3.920 22.576 1.00 10.00 C ATOM 1520 O SER A 105 0.248 4.016 21.534 1.00 10.00 O ATOM 1521 CB SER A 105 -0.866 1.517 23.125 1.00 10.00 C ATOM 1522 OG SER A 105 0.397 1.365 22.494 1.00 10.00 O ATOM 0 H SER A 105 -1.600 2.134 20.742 1.00 10.00 H new ATOM 0 HA SER A 105 -2.150 3.241 23.507 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.754 1.450 24.207 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.535 0.711 22.823 1.00 10.00 H new ATOM 0 HG SER A 105 0.784 0.499 22.741 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.162 4.678 23.619 1.00 10.00 N ATOM 1529 CA PRO A 106 0.874 5.740 23.595 1.00 10.00 C ATOM 1530 C PRO A 106 2.275 5.123 23.631 1.00 10.00 C ATOM 1531 O PRO A 106 2.534 4.184 24.357 1.00 10.00 O ATOM 1532 CB PRO A 106 0.596 6.538 24.867 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.101 5.579 25.779 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.865 4.619 24.905 1.00 10.00 C ATOM 0 HA PRO A 106 0.838 6.354 22.695 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.520 6.906 25.312 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.026 7.409 24.659 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.618 5.046 26.401 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.775 6.108 26.453 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.858 3.610 25.318 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -1.909 4.915 24.804 1.00 10.00 H new ATOM 1542 N ALA A 107 3.183 5.646 22.851 1.00 10.00 N ATOM 1543 CA ALA A 107 4.567 5.091 22.839 1.00 10.00 C ATOM 1544 C ALA A 107 5.557 6.129 23.376 1.00 10.00 C ATOM 1545 O ALA A 107 6.727 5.852 23.551 1.00 10.00 O ATOM 1546 CB ALA A 107 4.860 4.785 21.369 1.00 50.00 C ATOM 0 H ALA A 107 3.026 6.433 22.222 1.00 10.00 H new ATOM 0 HA ALA A 107 4.661 4.205 23.467 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.864 4.372 21.277 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.134 4.062 20.996 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.790 5.703 20.785 1.00 50.00 H new ATOM 1552 N ALA A 108 5.097 7.322 23.638 1.00 10.00 N ATOM 1553 CA ALA A 108 6.013 8.375 24.160 1.00 10.00 C ATOM 1554 C ALA A 108 5.557 8.838 25.547 1.00 10.00 C ATOM 1555 O ALA A 108 4.378 8.906 25.832 1.00 10.00 O ATOM 1556 CB ALA A 108 5.911 9.521 23.152 1.00 50.00 C ATOM 0 H ALA A 108 4.127 7.613 23.513 1.00 10.00 H new ATOM 0 HA ALA A 108 7.036 8.015 24.268 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.559 10.340 23.465 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.221 9.169 22.168 1.00 50.00 H new ATOM 0 HB3 ALA A 108 4.880 9.872 23.103 1.00 50.00 H new ATOM 1562 N ASP A 109 6.483 9.157 26.410 1.00 50.00 N ATOM 1563 CA ASP A 109 6.103 9.615 27.777 1.00 50.00 C ATOM 1564 C ASP A 109 5.111 10.779 27.686 1.00 50.00 C ATOM 1565 O ASP A 109 3.921 10.607 27.860 1.00 50.00 O ATOM 1566 CB ASP A 109 7.413 10.074 28.420 1.00 50.00 C ATOM 1567 CG ASP A 109 7.696 9.230 29.664 1.00 50.00 C ATOM 1568 OD1 ASP A 109 6.763 8.966 30.403 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.844 8.862 29.856 1.00 50.00 O ATOM 0 H ASP A 109 7.486 9.120 26.228 1.00 50.00 H new ATOM 0 HA ASP A 109 5.619 8.829 28.357 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.233 9.977 27.708 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.348 11.128 28.690 1.00 50.00 H new ATOM 1574 N GLU A 110 5.591 11.962 27.413 1.00 10.00 N ATOM 1575 CA GLU A 110 4.675 13.134 27.310 1.00 10.00 C ATOM 1576 C GLU A 110 4.312 13.394 25.846 1.00 10.00 C ATOM 1577 O GLU A 110 5.160 13.697 25.031 1.00 10.00 O ATOM 1578 CB GLU A 110 5.467 14.308 27.883 1.00 10.00 C ATOM 1579 CG GLU A 110 4.623 15.582 27.797 1.00 10.00 C ATOM 1580 CD GLU A 110 4.662 16.311 29.141 1.00 50.00 C ATOM 1581 OE1 GLU A 110 5.594 17.069 29.355 1.00 50.00 O ATOM 1582 OE2 GLU A 110 3.758 16.101 29.934 1.00 50.00 O ATOM 0 H GLU A 110 6.578 12.168 27.257 1.00 10.00 H new ATOM 0 HA GLU A 110 3.739 12.975 27.845 1.00 10.00 H new ATOM 0 HB2 GLU A 110 5.737 14.107 28.920 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.398 14.437 27.330 1.00 10.00 H new ATOM 0 HG2 GLU A 110 5.004 16.231 27.008 1.00 10.00 H new ATOM 0 HG3 GLU A 110 3.594 15.333 27.536 1.00 10.00 H new ATOM 1589 N VAL A 111 3.057 13.278 25.508 1.00 10.00 N ATOM 1590 CA VAL A 111 2.641 13.520 24.097 1.00 10.00 C ATOM 1591 C VAL A 111 1.532 14.576 24.043 1.00 10.00 C ATOM 1592 O VAL A 111 0.523 14.466 24.708 1.00 10.00 O ATOM 1593 CB VAL A 111 2.118 12.171 23.602 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.511 12.338 22.208 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.272 11.168 23.539 1.00 12.50 C ATOM 0 H VAL A 111 2.302 13.027 26.147 1.00 10.00 H new ATOM 0 HA VAL A 111 3.462 13.891 23.484 1.00 10.00 H new ATOM 0 HB VAL A 111 1.355 11.804 24.288 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.138 11.376 21.856 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.688 13.052 22.253 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.273 12.706 21.521 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.899 10.206 23.186 1.00 12.50 H new ATOM 0 HG22 VAL A 111 4.036 11.535 22.853 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.704 11.047 24.532 1.00 12.50 H new ATOM 1605 N LYS A 112 1.715 15.598 23.252 1.00 10.00 N ATOM 1606 CA LYS A 112 0.672 16.659 23.150 1.00 10.00 C ATOM 1607 C LYS A 112 -0.366 16.275 22.090 1.00 10.00 C ATOM 1608 O LYS A 112 -0.042 15.693 21.074 1.00 10.00 O ATOM 1609 CB LYS A 112 1.427 17.921 22.731 1.00 25.00 C ATOM 1610 CG LYS A 112 2.457 18.278 23.806 1.00 25.00 C ATOM 1611 CD LYS A 112 1.933 19.442 24.649 1.00 25.00 C ATOM 1612 CE LYS A 112 3.113 20.276 25.153 1.00 25.00 C ATOM 1613 NZ LYS A 112 3.154 21.472 24.263 1.00 25.00 N ATOM 0 H LYS A 112 2.541 15.744 22.672 1.00 10.00 H new ATOM 0 HA LYS A 112 0.133 16.802 24.087 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.924 17.760 21.775 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.729 18.747 22.592 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.650 17.413 24.441 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.405 18.550 23.341 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.262 20.063 24.055 1.00 25.00 H new ATOM 0 HD3 LYS A 112 1.355 19.064 25.492 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.975 20.565 26.195 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.045 19.713 25.099 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 3.876 21.333 23.528 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 2.225 21.604 23.815 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.390 22.315 24.825 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.609 16.595 22.320 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.666 16.246 21.327 1.00 10.00 C ATOM 1629 C ILE A 113 -3.907 17.115 21.541 1.00 10.00 C ATOM 1630 O ILE A 113 -4.279 17.421 22.657 1.00 10.00 O ATOM 1631 CB ILE A 113 -2.990 14.776 21.597 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.205 14.361 20.767 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.300 14.590 23.083 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -4.123 12.866 20.455 1.00 10.00 C ATOM 0 H ILE A 113 -1.940 17.083 23.152 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.338 16.412 20.301 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.135 14.158 21.323 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.123 14.580 21.312 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.240 14.935 19.841 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.531 13.543 23.278 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.434 14.887 23.675 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.156 15.208 23.356 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.989 12.570 19.863 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -3.212 12.661 19.893 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -4.109 12.300 21.387 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.556 17.505 20.480 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.782 18.345 20.616 1.00 10.00 C ATOM 1648 C VAL A 114 -7.009 17.530 20.197 1.00 10.00 C ATOM 1649 O VAL A 114 -7.088 17.041 19.088 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.565 19.524 19.665 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.543 20.646 20.013 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.130 20.040 19.805 1.00 50.00 C ATOM 0 H VAL A 114 -4.291 17.279 19.521 1.00 10.00 H new ATOM 0 HA VAL A 114 -5.950 18.682 21.639 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.735 19.196 18.639 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.389 21.486 19.336 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.565 20.282 19.912 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -6.373 20.971 21.039 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.977 20.880 19.127 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -3.959 20.366 20.831 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.430 19.242 19.557 1.00 50.00 H new ATOM 1662 N TYR A 115 -7.962 17.367 21.076 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.169 16.568 20.719 1.00 10.00 C ATOM 1664 C TYR A 115 -10.218 17.453 20.026 1.00 10.00 C ATOM 1665 O TYR A 115 -9.939 18.573 19.640 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.668 15.987 22.057 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.839 16.775 22.604 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.660 18.090 23.050 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.106 16.180 22.669 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.747 18.809 23.559 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.192 16.901 23.179 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.012 18.215 23.623 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.083 18.926 24.125 1.00 50.00 O ATOM 0 H TYR A 115 -7.957 17.751 22.021 1.00 10.00 H new ATOM 0 HA TYR A 115 -8.956 15.771 20.007 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.963 14.947 21.916 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.855 15.992 22.783 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.684 18.549 23.001 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.245 15.165 22.326 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.609 19.824 23.903 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.169 16.443 23.230 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.291 18.610 25.029 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.414 16.946 19.847 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.486 17.734 19.160 1.00 10.00 C ATOM 1685 C ASN A 116 -12.210 17.790 17.655 1.00 10.00 C ATOM 1686 O ASN A 116 -12.701 18.653 16.958 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.436 19.141 19.763 1.00 10.00 C ATOM 1688 CG ASN A 116 -13.811 19.502 20.329 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.283 20.607 20.150 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -14.479 18.610 21.009 1.00 10.00 N ATOM 0 H ASN A 116 -11.696 16.013 20.150 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.468 17.281 19.298 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -11.684 19.184 20.551 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.143 19.864 19.002 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -15.397 18.841 21.390 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.083 17.682 21.160 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.424 16.870 17.158 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.095 16.853 15.698 1.00 10.00 C ATOM 1699 C ALA A 117 -12.301 17.266 14.847 1.00 10.00 C ATOM 1700 O ALA A 117 -12.149 17.780 13.757 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.707 15.405 15.403 1.00 50.00 C ATOM 0 H ALA A 117 -10.992 16.124 17.704 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.299 17.558 15.458 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.450 15.305 14.349 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.848 15.127 16.014 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.546 14.749 15.636 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.493 17.042 15.326 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.700 17.421 14.534 1.00 12.50 C ATOM 1709 C LYS A 118 -14.504 18.786 13.865 1.00 12.50 C ATOM 1710 O LYS A 118 -15.106 19.082 12.852 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.843 17.479 15.550 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.524 18.519 16.627 1.00 12.50 C ATOM 1713 CD LYS A 118 -16.803 19.268 17.009 1.00 12.50 C ATOM 1714 CE LYS A 118 -17.233 20.169 15.850 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.421 20.909 16.363 1.00 50.00 N ATOM 0 H LYS A 118 -13.685 16.613 16.231 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.900 16.709 13.734 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.776 17.736 15.048 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.986 16.500 16.007 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.100 18.031 17.505 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -14.775 19.221 16.260 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.596 18.558 17.245 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -16.633 19.866 17.905 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -16.434 20.853 15.564 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -17.483 19.583 14.966 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -18.954 21.307 15.564 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.032 20.258 16.896 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.107 21.679 16.988 1.00 50.00 H new ATOM 1726 N HIS A 119 -13.668 19.622 14.420 1.00 50.00 N ATOM 1727 CA HIS A 119 -13.440 20.963 13.812 1.00 50.00 C ATOM 1728 C HIS A 119 -12.759 20.824 12.446 1.00 50.00 C ATOM 1729 O HIS A 119 -12.841 21.702 11.611 1.00 50.00 O ATOM 1730 CB HIS A 119 -12.522 21.682 14.799 1.00 50.00 C ATOM 1731 CG HIS A 119 -11.305 20.835 15.059 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -10.379 20.550 14.068 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -10.841 20.214 16.196 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -9.415 19.791 14.620 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -9.648 19.556 15.914 1.00 50.00 N ATOM 0 H HIS A 119 -13.134 19.434 15.268 1.00 50.00 H new ATOM 0 HA HIS A 119 -14.370 21.505 13.642 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.225 22.651 14.397 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.052 21.873 15.732 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -11.328 20.234 17.160 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -8.557 19.417 14.082 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -9.074 19.011 16.558 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.083 19.732 12.216 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.395 19.545 10.905 1.00 12.50 C ATOM 1745 C LEU A 120 -12.333 19.912 9.753 1.00 12.50 C ATOM 1746 O LEU A 120 -13.522 19.661 9.802 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.035 18.060 10.854 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.580 17.904 10.407 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.858 16.934 11.345 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.542 17.359 8.979 1.00 12.50 C ATOM 0 H LEU A 120 -11.977 18.962 12.877 1.00 12.50 H new ATOM 0 HA LEU A 120 -10.515 20.181 10.808 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.176 17.607 11.835 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.697 17.538 10.163 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.084 18.874 10.439 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.822 16.823 11.026 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -8.885 17.324 12.363 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.353 15.963 11.315 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.506 17.248 8.660 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -10.038 16.389 8.946 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -10.055 18.051 8.312 1.00 12.50 H new