USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 954 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 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 108 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-8.2!) USER MOD Set 2.1: A 102 THR OG1 : rot -16:sc= 0.257 USER MOD Set 2.2: A 103 HIS : no HD1:sc= 0 X(o=0.26,f=0.2) USER MOD Set 3.1: A 51 ASN : amide:sc= 0.0271 X(o=0.055,f=0) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -179:sc= 0.0279 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0852 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0915 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0345 F(o=-0.63,f=-0.034) USER MOD Single : A 23 THR OG1 : rot 80:sc= -0.566 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 141:sc= 0.56 (180deg=0.0569) USER MOD Single : A 36 THR OG1 : rot -49:sc= 0.722 USER MOD Single : A 37 SER OG : rot 71:sc= -0.961 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.023 USER MOD Single : A 48 CYS SG : rot 170:sc= -0.307 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.617 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00476 USER MOD Single : A 68 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.8!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.27) USER MOD Single : A 73 TYR OH : rot 19:sc= -0.604 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -56:sc= 0.0105 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -77:sc= 0.0747 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 155:sc=-0.00307 (180deg=-0.189) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.86 F(o=-3.9!,f=-1.9) USER MOD Single : A 100 TYR OH : rot 130:sc= -2.86! USER MOD Single : A 101 HIS : no HD1:sc= -0.977 X(o=-0.98,f=-0.73) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 109 GLN : amide:sc= -0.0231 K(o=-0.023,f=-0.87) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.34) USER MOD Single : A 117 TYR OH : rot -30:sc= -1.13 USER MOD Single : A 119 TYR OH : rot 165:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.323 5.975 -36.679 1.00 0.00 N ATOM 2 CA GLY A 1 -10.187 4.762 -37.465 1.00 0.00 C ATOM 3 C GLY A 1 -11.436 3.904 -37.429 1.00 0.00 C ATOM 4 O GLY A 1 -12.467 4.320 -36.901 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.233 6.804 -37.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.255 5.988 -36.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.578 6.004 -35.954 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.961 5.026 -38.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.342 4.184 -37.091 1.00 0.00 H new ATOM 8 N SER A 2 -11.345 2.705 -37.994 1.00 0.00 N ATOM 9 CA SER A 2 -12.479 1.789 -38.030 1.00 0.00 C ATOM 10 C SER A 2 -12.975 1.483 -36.620 1.00 0.00 C ATOM 11 O SER A 2 -12.218 1.563 -35.653 1.00 0.00 O ATOM 12 CB SER A 2 -12.089 0.490 -38.739 1.00 0.00 C ATOM 13 OG SER A 2 -12.299 0.588 -40.137 1.00 0.00 O ATOM 0 H SER A 2 -10.498 2.345 -38.433 1.00 0.00 H new ATOM 0 HA SER A 2 -13.286 2.269 -38.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.041 0.264 -38.541 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.675 -0.337 -38.337 1.00 0.00 H new ATOM 0 HG SER A 2 -12.041 -0.254 -40.566 1.00 0.00 H new ATOM 19 N SER A 3 -14.253 1.134 -36.513 1.00 0.00 N ATOM 20 CA SER A 3 -14.854 0.820 -35.222 1.00 0.00 C ATOM 21 C SER A 3 -15.640 -0.485 -35.291 1.00 0.00 C ATOM 22 O SER A 3 -15.883 -1.020 -36.372 1.00 0.00 O ATOM 23 CB SER A 3 -15.772 1.958 -34.772 1.00 0.00 C ATOM 24 OG SER A 3 -15.032 3.140 -34.517 1.00 0.00 O ATOM 0 H SER A 3 -14.892 1.062 -37.305 1.00 0.00 H new ATOM 0 HA SER A 3 -14.051 0.702 -34.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.520 2.152 -35.541 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.310 1.661 -33.872 1.00 0.00 H new ATOM 0 HG SER A 3 -15.642 3.853 -34.233 1.00 0.00 H new ATOM 30 N GLY A 4 -16.036 -0.993 -34.128 1.00 0.00 N ATOM 31 CA GLY A 4 -16.791 -2.232 -34.077 1.00 0.00 C ATOM 32 C GLY A 4 -16.846 -2.821 -32.682 1.00 0.00 C ATOM 33 O GLY A 4 -16.571 -2.133 -31.699 1.00 0.00 O ATOM 0 H GLY A 4 -15.848 -0.569 -33.220 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.806 -2.050 -34.431 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.341 -2.956 -34.756 1.00 0.00 H new ATOM 37 N SER A 5 -17.204 -4.098 -32.594 1.00 0.00 N ATOM 38 CA SER A 5 -17.299 -4.778 -31.307 1.00 0.00 C ATOM 39 C SER A 5 -15.982 -4.683 -30.543 1.00 0.00 C ATOM 40 O SER A 5 -14.905 -4.817 -31.122 1.00 0.00 O ATOM 41 CB SER A 5 -17.679 -6.246 -31.510 1.00 0.00 C ATOM 42 OG SER A 5 -19.060 -6.380 -31.799 1.00 0.00 O ATOM 0 H SER A 5 -17.433 -4.683 -33.398 1.00 0.00 H new ATOM 0 HA SER A 5 -18.075 -4.286 -30.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.091 -6.668 -32.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.435 -6.815 -30.613 1.00 0.00 H new ATOM 0 HG SER A 5 -19.277 -7.327 -31.926 1.00 0.00 H new ATOM 48 N SER A 6 -16.078 -4.449 -29.238 1.00 0.00 N ATOM 49 CA SER A 6 -14.896 -4.332 -28.393 1.00 0.00 C ATOM 50 C SER A 6 -15.275 -4.383 -26.917 1.00 0.00 C ATOM 51 O SER A 6 -16.412 -4.095 -26.546 1.00 0.00 O ATOM 52 CB SER A 6 -14.155 -3.028 -28.696 1.00 0.00 C ATOM 53 OG SER A 6 -13.214 -2.728 -27.679 1.00 0.00 O ATOM 0 H SER A 6 -16.963 -4.337 -28.743 1.00 0.00 H new ATOM 0 HA SER A 6 -14.240 -5.175 -28.610 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.644 -3.111 -29.655 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.871 -2.211 -28.785 1.00 0.00 H new ATOM 0 HG SER A 6 -12.753 -1.891 -27.897 1.00 0.00 H new ATOM 59 N GLY A 7 -14.313 -4.754 -26.077 1.00 0.00 N ATOM 60 CA GLY A 7 -14.565 -4.837 -24.650 1.00 0.00 C ATOM 61 C GLY A 7 -13.968 -3.671 -23.887 1.00 0.00 C ATOM 62 O GLY A 7 -12.783 -3.371 -24.027 1.00 0.00 O ATOM 0 H GLY A 7 -13.364 -4.998 -26.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.640 -4.869 -24.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.152 -5.769 -24.265 1.00 0.00 H new ATOM 66 N GLU A 8 -14.792 -3.011 -23.079 1.00 0.00 N ATOM 67 CA GLU A 8 -14.339 -1.869 -22.294 1.00 0.00 C ATOM 68 C GLU A 8 -14.428 -2.167 -20.800 1.00 0.00 C ATOM 69 O GLU A 8 -15.368 -1.743 -20.127 1.00 0.00 O ATOM 70 CB GLU A 8 -15.170 -0.629 -22.628 1.00 0.00 C ATOM 71 CG GLU A 8 -15.163 -0.272 -24.105 1.00 0.00 C ATOM 72 CD GLU A 8 -15.991 -1.229 -24.940 1.00 0.00 C ATOM 73 OE1 GLU A 8 -17.221 -1.032 -25.025 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.408 -2.176 -25.510 1.00 0.00 O ATOM 0 H GLU A 8 -15.776 -3.247 -22.951 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.297 -1.677 -22.548 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.199 -0.794 -22.308 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.790 0.218 -22.056 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.546 0.740 -24.232 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.136 -0.272 -24.470 1.00 0.00 H new ATOM 81 N ASP A 9 -13.445 -2.899 -20.288 1.00 0.00 N ATOM 82 CA ASP A 9 -13.411 -3.254 -18.874 1.00 0.00 C ATOM 83 C ASP A 9 -12.269 -2.536 -18.161 1.00 0.00 C ATOM 84 O ASP A 9 -11.826 -2.961 -17.094 1.00 0.00 O ATOM 85 CB ASP A 9 -13.261 -4.767 -18.710 1.00 0.00 C ATOM 86 CG ASP A 9 -14.450 -5.530 -19.259 1.00 0.00 C ATOM 87 OD1 ASP A 9 -15.164 -4.975 -20.121 1.00 0.00 O ATOM 88 OD2 ASP A 9 -14.666 -6.682 -18.829 1.00 0.00 O ATOM 0 H ASP A 9 -12.660 -3.258 -20.832 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.352 -2.939 -18.422 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.355 -5.097 -19.219 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.137 -5.004 -17.653 1.00 0.00 H new ATOM 93 N TYR A 10 -11.797 -1.448 -18.758 1.00 0.00 N ATOM 94 CA TYR A 10 -10.704 -0.673 -18.182 1.00 0.00 C ATOM 95 C TYR A 10 -9.722 -1.580 -17.446 1.00 0.00 C ATOM 96 O TYR A 10 -9.363 -1.321 -16.298 1.00 0.00 O ATOM 97 CB TYR A 10 -11.252 0.387 -17.225 1.00 0.00 C ATOM 98 CG TYR A 10 -11.743 1.636 -17.922 1.00 0.00 C ATOM 99 CD1 TYR A 10 -12.622 1.556 -18.995 1.00 0.00 C ATOM 100 CD2 TYR A 10 -11.329 2.895 -17.506 1.00 0.00 C ATOM 101 CE1 TYR A 10 -13.072 2.695 -19.635 1.00 0.00 C ATOM 102 CE2 TYR A 10 -11.776 4.039 -18.139 1.00 0.00 C ATOM 103 CZ TYR A 10 -12.647 3.934 -19.203 1.00 0.00 C ATOM 104 OH TYR A 10 -13.095 5.070 -19.837 1.00 0.00 O ATOM 0 H TYR A 10 -12.154 -1.082 -19.641 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.174 -0.179 -18.996 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.071 -0.044 -16.650 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -10.472 0.660 -16.514 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -12.959 0.588 -19.334 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.646 2.981 -16.674 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -13.753 2.615 -20.469 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.445 5.010 -17.802 1.00 0.00 H new ATOM 0 HH TYR A 10 -12.702 5.860 -19.410 1.00 0.00 H new ATOM 114 N GLU A 11 -9.293 -2.644 -18.117 1.00 0.00 N ATOM 115 CA GLU A 11 -8.353 -3.590 -17.527 1.00 0.00 C ATOM 116 C GLU A 11 -6.912 -3.175 -17.812 1.00 0.00 C ATOM 117 O GLU A 11 -5.999 -3.497 -17.052 1.00 0.00 O ATOM 118 CB GLU A 11 -8.605 -4.999 -18.068 1.00 0.00 C ATOM 119 CG GLU A 11 -8.148 -5.191 -19.504 1.00 0.00 C ATOM 120 CD GLU A 11 -9.202 -4.777 -20.513 1.00 0.00 C ATOM 121 OE1 GLU A 11 -10.401 -4.812 -20.165 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.828 -4.417 -21.648 1.00 0.00 O ATOM 0 H GLU A 11 -9.581 -2.873 -19.068 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.507 -3.590 -16.448 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.091 -5.720 -17.433 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.671 -5.219 -18.002 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.241 -4.611 -19.673 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.891 -6.238 -19.662 1.00 0.00 H new ATOM 129 N LYS A 12 -6.716 -2.458 -18.914 1.00 0.00 N ATOM 130 CA LYS A 12 -5.388 -1.997 -19.301 1.00 0.00 C ATOM 131 C LYS A 12 -5.035 -0.696 -18.588 1.00 0.00 C ATOM 132 O LYS A 12 -4.417 0.195 -19.172 1.00 0.00 O ATOM 133 CB LYS A 12 -5.318 -1.797 -20.817 1.00 0.00 C ATOM 134 CG LYS A 12 -5.450 -3.086 -21.608 1.00 0.00 C ATOM 135 CD LYS A 12 -4.690 -3.015 -22.922 1.00 0.00 C ATOM 136 CE LYS A 12 -3.198 -3.229 -22.715 1.00 0.00 C ATOM 137 NZ LYS A 12 -2.831 -4.671 -22.771 1.00 0.00 N ATOM 0 H LYS A 12 -7.461 -2.184 -19.555 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.665 -2.758 -19.007 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.109 -1.111 -21.121 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.370 -1.322 -21.069 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.074 -3.919 -21.014 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.503 -3.286 -21.806 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.075 -3.770 -23.608 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.858 -2.045 -23.389 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.644 -2.683 -23.479 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.902 -2.816 -21.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.806 -4.774 -22.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.340 -5.188 -22.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.090 -5.059 -23.701 1.00 0.00 H new ATOM 151 N VAL A 13 -5.429 -0.593 -17.323 1.00 0.00 N ATOM 152 CA VAL A 13 -5.152 0.598 -16.530 1.00 0.00 C ATOM 153 C VAL A 13 -3.965 0.374 -15.599 1.00 0.00 C ATOM 154 O VAL A 13 -3.707 -0.738 -15.139 1.00 0.00 O ATOM 155 CB VAL A 13 -6.376 1.013 -15.693 1.00 0.00 C ATOM 156 CG1 VAL A 13 -7.562 1.316 -16.595 1.00 0.00 C ATOM 157 CG2 VAL A 13 -6.725 -0.073 -14.686 1.00 0.00 C ATOM 0 H VAL A 13 -5.942 -1.321 -16.825 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.914 1.397 -17.232 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.128 1.921 -15.143 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.417 1.607 -15.986 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.305 2.130 -17.273 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.815 0.428 -17.174 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.592 0.237 -14.103 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.954 -0.999 -15.214 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.879 -0.236 -14.019 1.00 0.00 H new ATOM 167 N PRO A 14 -3.225 1.456 -15.314 1.00 0.00 N ATOM 168 CA PRO A 14 -2.053 1.404 -14.435 1.00 0.00 C ATOM 169 C PRO A 14 -2.432 1.158 -12.978 1.00 0.00 C ATOM 170 O PRO A 14 -1.907 0.248 -12.334 1.00 0.00 O ATOM 171 CB PRO A 14 -1.426 2.790 -14.597 1.00 0.00 C ATOM 172 CG PRO A 14 -2.555 3.672 -15.005 1.00 0.00 C ATOM 173 CD PRO A 14 -3.475 2.813 -15.828 1.00 0.00 C ATOM 0 HA PRO A 14 -1.383 0.585 -14.697 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.974 3.131 -13.666 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.638 2.782 -15.350 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.072 4.073 -14.133 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.196 4.524 -15.582 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.518 3.105 -15.702 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.250 2.888 -16.892 1.00 0.00 H new ATOM 181 N LEU A 15 -3.347 1.973 -12.464 1.00 0.00 N ATOM 182 CA LEU A 15 -3.797 1.843 -11.083 1.00 0.00 C ATOM 183 C LEU A 15 -5.316 1.718 -11.014 1.00 0.00 C ATOM 184 O LEU A 15 -6.048 2.706 -11.077 1.00 0.00 O ATOM 185 CB LEU A 15 -3.335 3.047 -10.260 1.00 0.00 C ATOM 186 CG LEU A 15 -1.991 2.898 -9.547 1.00 0.00 C ATOM 187 CD1 LEU A 15 -2.051 1.771 -8.527 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.878 2.649 -10.554 1.00 0.00 C ATOM 0 H LEU A 15 -3.791 2.730 -12.983 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.357 0.936 -10.668 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.279 3.913 -10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.098 3.265 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.776 3.827 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.086 1.679 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.821 1.990 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.289 0.835 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.071 2.545 -10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.087 1.734 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.820 3.488 -11.247 1.00 0.00 H new ATOM 200 N PRO A 16 -5.802 0.475 -10.881 1.00 0.00 N ATOM 201 CA PRO A 16 -7.238 0.192 -10.798 1.00 0.00 C ATOM 202 C PRO A 16 -7.850 0.677 -9.488 1.00 0.00 C ATOM 203 O PRO A 16 -7.142 0.908 -8.509 1.00 0.00 O ATOM 204 CB PRO A 16 -7.303 -1.335 -10.885 1.00 0.00 C ATOM 205 CG PRO A 16 -5.979 -1.800 -10.386 1.00 0.00 C ATOM 206 CD PRO A 16 -4.988 -0.749 -10.800 1.00 0.00 C ATOM 0 HA PRO A 16 -7.800 0.702 -11.580 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.116 -1.732 -10.278 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.479 -1.666 -11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.991 -1.920 -9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.720 -2.770 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.182 -0.648 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.525 -0.988 -11.758 1.00 0.00 H new ATOM 214 N ASN A 17 -9.170 0.830 -9.478 1.00 0.00 N ATOM 215 CA ASN A 17 -9.878 1.288 -8.288 1.00 0.00 C ATOM 216 C ASN A 17 -10.173 0.123 -7.348 1.00 0.00 C ATOM 217 O ASN A 17 -11.175 0.127 -6.634 1.00 0.00 O ATOM 218 CB ASN A 17 -11.182 1.983 -8.681 1.00 0.00 C ATOM 219 CG ASN A 17 -10.995 3.469 -8.924 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.178 4.118 -8.271 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.755 4.014 -9.868 1.00 0.00 N ATOM 0 H ASN A 17 -9.771 0.644 -10.281 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.238 1.999 -7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.581 1.518 -9.582 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.920 1.837 -7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.674 5.009 -10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.419 3.437 -10.384 1.00 0.00 H new ATOM 228 N SER A 18 -9.292 -0.873 -7.354 1.00 0.00 N ATOM 229 CA SER A 18 -9.459 -2.046 -6.505 1.00 0.00 C ATOM 230 C SER A 18 -8.417 -2.063 -5.391 1.00 0.00 C ATOM 231 O SER A 18 -8.724 -2.385 -4.243 1.00 0.00 O ATOM 232 CB SER A 18 -9.352 -3.325 -7.338 1.00 0.00 C ATOM 233 OG SER A 18 -10.605 -3.672 -7.902 1.00 0.00 O ATOM 0 H SER A 18 -8.456 -0.890 -7.938 1.00 0.00 H new ATOM 0 HA SER A 18 -10.449 -1.998 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.618 -3.185 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.993 -4.142 -6.712 1.00 0.00 H new ATOM 0 HG SER A 18 -10.510 -4.492 -8.431 1.00 0.00 H new ATOM 239 N VAL A 19 -7.182 -1.714 -5.739 1.00 0.00 N ATOM 240 CA VAL A 19 -6.094 -1.688 -4.769 1.00 0.00 C ATOM 241 C VAL A 19 -6.360 -0.664 -3.672 1.00 0.00 C ATOM 242 O VAL A 19 -6.160 -0.940 -2.488 1.00 0.00 O ATOM 243 CB VAL A 19 -4.748 -1.362 -5.445 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.402 -2.419 -6.482 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.790 0.022 -6.075 1.00 0.00 C ATOM 0 H VAL A 19 -6.911 -1.446 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.039 -2.683 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.968 -1.366 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.448 -2.172 -6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.328 -3.393 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.181 -2.451 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.831 0.236 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.580 0.057 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.988 0.767 -5.304 1.00 0.00 H new ATOM 255 N PHE A 20 -6.812 0.520 -4.072 1.00 0.00 N ATOM 256 CA PHE A 20 -7.106 1.587 -3.122 1.00 0.00 C ATOM 257 C PHE A 20 -8.217 1.170 -2.163 1.00 0.00 C ATOM 258 O PHE A 20 -9.357 0.951 -2.573 1.00 0.00 O ATOM 259 CB PHE A 20 -7.509 2.862 -3.864 1.00 0.00 C ATOM 260 CG PHE A 20 -6.484 3.327 -4.859 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.435 2.778 -6.130 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.569 4.311 -4.522 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.493 3.203 -7.048 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.625 4.741 -5.436 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.586 4.185 -6.700 1.00 0.00 C ATOM 0 H PHE A 20 -6.983 0.765 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.204 1.782 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.453 2.689 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.684 3.655 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.141 2.009 -6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.593 4.747 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.466 2.768 -8.036 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.919 5.511 -5.162 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.848 4.517 -7.415 1.00 0.00 H new ATOM 275 N VAL A 21 -7.876 1.062 -0.882 1.00 0.00 N ATOM 276 CA VAL A 21 -8.843 0.673 0.136 1.00 0.00 C ATOM 277 C VAL A 21 -8.981 1.752 1.205 1.00 0.00 C ATOM 278 O VAL A 21 -8.001 2.389 1.587 1.00 0.00 O ATOM 279 CB VAL A 21 -8.445 -0.654 0.811 1.00 0.00 C ATOM 280 CG1 VAL A 21 -7.089 -0.523 1.487 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.509 -1.083 1.810 1.00 0.00 C ATOM 0 H VAL A 21 -6.937 1.239 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.799 0.543 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.369 -1.424 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.824 -1.470 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.335 -0.265 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.134 0.259 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.212 -2.022 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.620 -0.315 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.459 -1.220 1.293 1.00 0.00 H new ATOM 291 N ASN A 22 -10.205 1.950 1.683 1.00 0.00 N ATOM 292 CA ASN A 22 -10.472 2.953 2.708 1.00 0.00 C ATOM 293 C ASN A 22 -10.255 2.375 4.103 1.00 0.00 C ATOM 294 O ASN A 22 -10.854 2.832 5.077 1.00 0.00 O ATOM 295 CB ASN A 22 -11.903 3.477 2.578 1.00 0.00 C ATOM 296 CG ASN A 22 -12.093 4.816 3.265 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.050 5.891 2.487 1.00 0.00 O flip ATOM 298 ND2 ASN A 22 -12.277 4.881 4.481 1.00 0.00 N flip ATOM 0 H ASN A 22 -11.027 1.430 1.377 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.776 3.779 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.157 3.574 1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.593 2.751 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.302 4.028 5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.404 5.788 4.930 1.00 0.00 H new ATOM 305 N THR A 23 -9.392 1.367 4.193 1.00 0.00 N ATOM 306 CA THR A 23 -9.096 0.726 5.468 1.00 0.00 C ATOM 307 C THR A 23 -7.807 1.272 6.072 1.00 0.00 C ATOM 308 O THR A 23 -6.743 1.207 5.454 1.00 0.00 O ATOM 309 CB THR A 23 -8.970 -0.801 5.314 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.972 -1.426 6.602 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.695 -1.166 4.569 1.00 0.00 C ATOM 0 H THR A 23 -8.886 0.977 3.398 1.00 0.00 H new ATOM 0 HA THR A 23 -9.930 0.949 6.134 1.00 0.00 H new ATOM 0 HB THR A 23 -9.824 -1.157 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.893 -1.495 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.628 -2.250 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.711 -0.713 3.578 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.832 -0.797 5.123 1.00 0.00 H new ATOM 319 N THR A 24 -7.907 1.811 7.283 1.00 0.00 N ATOM 320 CA THR A 24 -6.749 2.368 7.970 1.00 0.00 C ATOM 321 C THR A 24 -6.232 1.414 9.040 1.00 0.00 C ATOM 322 O THR A 24 -5.675 1.843 10.050 1.00 0.00 O ATOM 323 CB THR A 24 -7.082 3.723 8.623 1.00 0.00 C ATOM 324 OG1 THR A 24 -8.205 3.581 9.501 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.388 4.773 7.566 1.00 0.00 C ATOM 0 H THR A 24 -8.779 1.873 7.808 1.00 0.00 H new ATOM 0 HA THR A 24 -5.976 2.516 7.216 1.00 0.00 H new ATOM 0 HB THR A 24 -6.213 4.049 9.195 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.409 4.446 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.620 5.721 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.521 4.900 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.242 4.452 6.970 1.00 0.00 H new ATOM 333 N GLU A 25 -6.419 0.118 8.811 1.00 0.00 N ATOM 334 CA GLU A 25 -5.971 -0.897 9.758 1.00 0.00 C ATOM 335 C GLU A 25 -5.122 -1.955 9.060 1.00 0.00 C ATOM 336 O GLU A 25 -5.644 -2.817 8.352 1.00 0.00 O ATOM 337 CB GLU A 25 -7.172 -1.558 10.438 1.00 0.00 C ATOM 338 CG GLU A 25 -8.099 -0.572 11.130 1.00 0.00 C ATOM 339 CD GLU A 25 -7.715 -0.327 12.576 1.00 0.00 C ATOM 340 OE1 GLU A 25 -6.566 0.098 12.821 1.00 0.00 O ATOM 341 OE2 GLU A 25 -8.563 -0.561 13.463 1.00 0.00 O ATOM 0 H GLU A 25 -6.877 -0.254 7.979 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.359 -0.406 10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.739 -2.115 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.812 -2.281 11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.086 0.374 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.121 -0.949 11.088 1.00 0.00 H new ATOM 348 N SER A 26 -3.811 -1.882 9.264 1.00 0.00 N ATOM 349 CA SER A 26 -2.888 -2.831 8.651 1.00 0.00 C ATOM 350 C SER A 26 -3.374 -4.264 8.844 1.00 0.00 C ATOM 351 O SER A 26 -3.154 -5.126 7.993 1.00 0.00 O ATOM 352 CB SER A 26 -1.488 -2.670 9.246 1.00 0.00 C ATOM 353 OG SER A 26 -1.508 -2.852 10.651 1.00 0.00 O ATOM 0 H SER A 26 -3.364 -1.176 9.849 1.00 0.00 H new ATOM 0 HA SER A 26 -2.847 -2.621 7.582 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.811 -3.393 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.101 -1.679 9.010 1.00 0.00 H new ATOM 0 HG SER A 26 -0.601 -2.746 11.008 1.00 0.00 H new ATOM 359 N CYS A 27 -4.036 -4.510 9.969 1.00 0.00 N ATOM 360 CA CYS A 27 -4.553 -5.839 10.277 1.00 0.00 C ATOM 361 C CYS A 27 -5.627 -6.250 9.275 1.00 0.00 C ATOM 362 O CYS A 27 -5.653 -7.390 8.812 1.00 0.00 O ATOM 363 CB CYS A 27 -5.123 -5.872 11.696 1.00 0.00 C ATOM 364 SG CYS A 27 -3.870 -5.792 12.997 1.00 0.00 S ATOM 0 H CYS A 27 -4.227 -3.807 10.683 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.727 -6.547 10.209 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.812 -5.037 11.819 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.704 -6.786 11.822 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.450 -5.824 14.160 1.00 0.00 H new ATOM 370 N GLU A 28 -6.511 -5.314 8.945 1.00 0.00 N ATOM 371 CA GLU A 28 -7.588 -5.580 8.000 1.00 0.00 C ATOM 372 C GLU A 28 -7.030 -5.978 6.636 1.00 0.00 C ATOM 373 O GLU A 28 -7.379 -7.025 6.091 1.00 0.00 O ATOM 374 CB GLU A 28 -8.487 -4.350 7.856 1.00 0.00 C ATOM 375 CG GLU A 28 -9.606 -4.528 6.844 1.00 0.00 C ATOM 376 CD GLU A 28 -10.828 -5.201 7.438 1.00 0.00 C ATOM 377 OE1 GLU A 28 -11.148 -4.919 8.612 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.465 -6.008 6.729 1.00 0.00 O ATOM 0 H GLU A 28 -6.502 -4.365 9.318 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.179 -6.410 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.921 -4.112 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.876 -3.496 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.890 -3.554 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.241 -5.121 6.005 1.00 0.00 H new ATOM 385 N VAL A 29 -6.160 -5.134 6.091 1.00 0.00 N ATOM 386 CA VAL A 29 -5.552 -5.396 4.792 1.00 0.00 C ATOM 387 C VAL A 29 -5.085 -6.843 4.686 1.00 0.00 C ATOM 388 O VAL A 29 -5.430 -7.549 3.738 1.00 0.00 O ATOM 389 CB VAL A 29 -4.355 -4.462 4.533 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.722 -4.766 3.184 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.789 -3.006 4.611 1.00 0.00 C ATOM 0 H VAL A 29 -5.860 -4.263 6.529 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.319 -5.208 4.040 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.607 -4.637 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.878 -4.096 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.374 -5.799 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.460 -4.621 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.931 -2.360 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.556 -2.814 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.191 -2.799 5.603 1.00 0.00 H new ATOM 401 N GLU A 30 -4.299 -7.279 5.665 1.00 0.00 N ATOM 402 CA GLU A 30 -3.784 -8.643 5.681 1.00 0.00 C ATOM 403 C GLU A 30 -4.923 -9.655 5.583 1.00 0.00 C ATOM 404 O GLU A 30 -4.807 -10.671 4.898 1.00 0.00 O ATOM 405 CB GLU A 30 -2.974 -8.892 6.955 1.00 0.00 C ATOM 406 CG GLU A 30 -2.386 -10.290 7.039 1.00 0.00 C ATOM 407 CD GLU A 30 -2.012 -10.681 8.455 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.192 -9.967 9.070 1.00 0.00 O ATOM 409 OE2 GLU A 30 -2.537 -11.701 8.949 1.00 0.00 O ATOM 0 H GLU A 30 -4.005 -6.708 6.457 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.133 -8.769 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.165 -8.163 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.614 -8.724 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.107 -11.007 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.501 -10.347 6.405 1.00 0.00 H new ATOM 416 N ARG A 31 -6.021 -9.369 6.274 1.00 0.00 N ATOM 417 CA ARG A 31 -7.180 -10.254 6.267 1.00 0.00 C ATOM 418 C ARG A 31 -7.850 -10.262 4.897 1.00 0.00 C ATOM 419 O ARG A 31 -8.139 -11.322 4.340 1.00 0.00 O ATOM 420 CB ARG A 31 -8.185 -9.822 7.337 1.00 0.00 C ATOM 421 CG ARG A 31 -9.258 -10.860 7.619 1.00 0.00 C ATOM 422 CD ARG A 31 -10.226 -10.384 8.691 1.00 0.00 C ATOM 423 NE ARG A 31 -11.275 -11.364 8.956 1.00 0.00 N ATOM 424 CZ ARG A 31 -12.150 -11.254 9.950 1.00 0.00 C ATOM 425 NH1 ARG A 31 -12.101 -10.212 10.768 1.00 0.00 N ATOM 426 NH2 ARG A 31 -13.076 -12.188 10.127 1.00 0.00 N ATOM 0 H ARG A 31 -6.133 -8.532 6.846 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.836 -11.264 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.649 -9.606 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.663 -8.894 7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.806 -11.076 6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.790 -11.791 7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.677 -10.183 9.611 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.679 -9.443 8.378 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.340 -12.178 8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.391 -9.492 10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.774 -10.130 11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.117 -12.991 9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.747 -12.103 10.890 1.00 0.00 H new ATOM 440 N LEU A 32 -8.097 -9.072 4.358 1.00 0.00 N ATOM 441 CA LEU A 32 -8.734 -8.941 3.053 1.00 0.00 C ATOM 442 C LEU A 32 -8.016 -9.790 2.008 1.00 0.00 C ATOM 443 O LEU A 32 -8.646 -10.545 1.267 1.00 0.00 O ATOM 444 CB LEU A 32 -8.747 -7.475 2.615 1.00 0.00 C ATOM 445 CG LEU A 32 -9.383 -6.488 3.593 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.296 -5.069 3.052 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.831 -6.867 3.869 1.00 0.00 C ATOM 0 H LEU A 32 -7.866 -8.185 4.805 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.761 -9.297 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.719 -7.162 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.276 -7.405 1.664 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.832 -6.532 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.754 -4.380 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.250 -4.798 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.822 -5.010 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.267 -6.153 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.395 -6.853 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.869 -7.867 4.301 1.00 0.00 H new ATOM 459 N PHE A 33 -6.695 -9.662 1.957 1.00 0.00 N ATOM 460 CA PHE A 33 -5.890 -10.418 1.004 1.00 0.00 C ATOM 461 C PHE A 33 -6.308 -11.886 0.984 1.00 0.00 C ATOM 462 O PHE A 33 -6.810 -12.387 -0.023 1.00 0.00 O ATOM 463 CB PHE A 33 -4.405 -10.304 1.354 1.00 0.00 C ATOM 464 CG PHE A 33 -3.773 -9.028 0.875 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.511 -7.858 0.805 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.441 -9.000 0.495 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.932 -6.683 0.363 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.856 -7.828 0.053 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.603 -6.668 -0.012 1.00 0.00 C ATOM 0 H PHE A 33 -6.159 -9.042 2.564 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.055 -9.997 0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.288 -10.374 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.872 -11.150 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.550 -7.864 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.853 -9.904 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.519 -5.778 0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.817 -7.819 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.148 -5.751 -0.356 1.00 0.00 H new ATOM 479 N LYS A 34 -6.096 -12.570 2.103 1.00 0.00 N ATOM 480 CA LYS A 34 -6.450 -13.980 2.216 1.00 0.00 C ATOM 481 C LYS A 34 -7.939 -14.190 1.960 1.00 0.00 C ATOM 482 O LYS A 34 -8.351 -15.236 1.460 1.00 0.00 O ATOM 483 CB LYS A 34 -6.081 -14.510 3.604 1.00 0.00 C ATOM 484 CG LYS A 34 -4.617 -14.319 3.958 1.00 0.00 C ATOM 485 CD LYS A 34 -4.425 -14.131 5.454 1.00 0.00 C ATOM 486 CE LYS A 34 -2.958 -13.937 5.807 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.696 -14.196 7.250 1.00 0.00 N ATOM 0 H LYS A 34 -5.681 -12.171 2.945 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.888 -14.531 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.695 -14.007 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.323 -15.572 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.045 -15.184 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.224 -13.452 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.999 -13.267 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.816 -14.999 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.347 -14.606 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.657 -12.919 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.788 -14.692 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.657 -13.292 7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.459 -14.784 7.641 1.00 0.00 H new ATOM 501 N ALA A 35 -8.741 -13.187 2.304 1.00 0.00 N ATOM 502 CA ALA A 35 -10.183 -13.261 2.107 1.00 0.00 C ATOM 503 C ALA A 35 -10.538 -13.223 0.625 1.00 0.00 C ATOM 504 O ALA A 35 -11.501 -13.855 0.189 1.00 0.00 O ATOM 505 CB ALA A 35 -10.875 -12.125 2.846 1.00 0.00 C ATOM 0 H ALA A 35 -8.416 -12.314 2.720 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.532 -14.211 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.952 -12.192 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.657 -12.198 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.512 -11.170 2.466 1.00 0.00 H new ATOM 511 N THR A 36 -9.754 -12.478 -0.148 1.00 0.00 N ATOM 512 CA THR A 36 -9.986 -12.356 -1.582 1.00 0.00 C ATOM 513 C THR A 36 -9.212 -13.417 -2.356 1.00 0.00 C ATOM 514 O THR A 36 -8.935 -13.253 -3.544 1.00 0.00 O ATOM 515 CB THR A 36 -9.585 -10.963 -2.100 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.028 -10.796 -3.451 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.077 -10.772 -2.028 1.00 0.00 C ATOM 0 H THR A 36 -8.952 -11.950 0.195 1.00 0.00 H new ATOM 0 HA THR A 36 -11.054 -12.500 -1.743 1.00 0.00 H new ATOM 0 HB THR A 36 -10.061 -10.214 -1.467 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.761 -11.576 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.818 -9.781 -2.399 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.747 -10.870 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.585 -11.528 -2.639 1.00 0.00 H new ATOM 525 N SER A 37 -8.865 -14.504 -1.676 1.00 0.00 N ATOM 526 CA SER A 37 -8.118 -15.591 -2.300 1.00 0.00 C ATOM 527 C SER A 37 -8.986 -16.838 -2.435 1.00 0.00 C ATOM 528 O SER A 37 -9.793 -17.162 -1.563 1.00 0.00 O ATOM 529 CB SER A 37 -6.866 -15.913 -1.482 1.00 0.00 C ATOM 530 OG SER A 37 -5.924 -14.857 -1.554 1.00 0.00 O ATOM 0 H SER A 37 -9.089 -14.656 -0.693 1.00 0.00 H new ATOM 0 HA SER A 37 -7.818 -15.268 -3.297 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.142 -16.088 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.414 -16.834 -1.851 1.00 0.00 H new ATOM 0 HG SER A 37 -6.257 -14.087 -1.048 1.00 0.00 H new ATOM 536 N PRO A 38 -8.818 -17.557 -3.555 1.00 0.00 N ATOM 537 CA PRO A 38 -9.576 -18.780 -3.832 1.00 0.00 C ATOM 538 C PRO A 38 -9.174 -19.931 -2.916 1.00 0.00 C ATOM 539 O PRO A 38 -9.990 -20.796 -2.595 1.00 0.00 O ATOM 540 CB PRO A 38 -9.214 -19.101 -5.284 1.00 0.00 C ATOM 541 CG PRO A 38 -7.881 -18.468 -5.491 1.00 0.00 C ATOM 542 CD PRO A 38 -7.874 -17.230 -4.637 1.00 0.00 C ATOM 0 HA PRO A 38 -10.644 -18.644 -3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.172 -20.177 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.955 -18.699 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.078 -19.146 -5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.726 -18.219 -6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.878 -17.014 -4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.195 -16.353 -5.199 1.00 0.00 H new ATOM 550 N ARG A 39 -7.912 -19.936 -2.499 1.00 0.00 N ATOM 551 CA ARG A 39 -7.402 -20.982 -1.620 1.00 0.00 C ATOM 552 C ARG A 39 -7.106 -20.427 -0.230 1.00 0.00 C ATOM 553 O ARG A 39 -6.179 -20.875 0.444 1.00 0.00 O ATOM 554 CB ARG A 39 -6.136 -21.603 -2.213 1.00 0.00 C ATOM 555 CG ARG A 39 -6.405 -22.525 -3.391 1.00 0.00 C ATOM 556 CD ARG A 39 -5.145 -23.260 -3.822 1.00 0.00 C ATOM 557 NE ARG A 39 -5.442 -24.382 -4.708 1.00 0.00 N ATOM 558 CZ ARG A 39 -5.839 -24.239 -5.968 1.00 0.00 C ATOM 559 NH1 ARG A 39 -5.984 -23.028 -6.487 1.00 0.00 N ATOM 560 NH2 ARG A 39 -6.090 -25.310 -6.711 1.00 0.00 N ATOM 0 H ARG A 39 -7.224 -19.228 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.168 -21.752 -1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.465 -20.805 -2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.617 -22.163 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.175 -23.248 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.793 -21.944 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.476 -22.565 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.618 -23.624 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.339 -25.328 -4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.791 -22.203 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.289 -22.921 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.978 -26.243 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.395 -25.200 -7.678 1.00 0.00 H new ATOM 574 N GLY A 40 -7.901 -19.449 0.193 1.00 0.00 N ATOM 575 CA GLY A 40 -7.707 -18.849 1.500 1.00 0.00 C ATOM 576 C GLY A 40 -6.289 -18.353 1.707 1.00 0.00 C ATOM 577 O GLY A 40 -5.822 -18.246 2.840 1.00 0.00 O ATOM 0 H GLY A 40 -8.676 -19.062 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.401 -18.017 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.949 -19.580 2.271 1.00 0.00 H new ATOM 581 N GLU A 41 -5.603 -18.052 0.608 1.00 0.00 N ATOM 582 CA GLU A 41 -4.229 -17.569 0.675 1.00 0.00 C ATOM 583 C GLU A 41 -3.916 -16.656 -0.507 1.00 0.00 C ATOM 584 O GLU A 41 -4.212 -16.968 -1.660 1.00 0.00 O ATOM 585 CB GLU A 41 -3.251 -18.745 0.699 1.00 0.00 C ATOM 586 CG GLU A 41 -3.282 -19.587 -0.565 1.00 0.00 C ATOM 587 CD GLU A 41 -2.144 -20.588 -0.627 1.00 0.00 C ATOM 588 OE1 GLU A 41 -1.018 -20.183 -0.986 1.00 0.00 O ATOM 589 OE2 GLU A 41 -2.379 -21.774 -0.317 1.00 0.00 O ATOM 0 H GLU A 41 -5.976 -18.134 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.117 -16.995 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.241 -18.364 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.480 -19.380 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.232 -20.119 -0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.233 -18.932 -1.435 1.00 0.00 H new ATOM 596 N PRO A 42 -3.301 -15.500 -0.214 1.00 0.00 N ATOM 597 CA PRO A 42 -2.934 -14.518 -1.239 1.00 0.00 C ATOM 598 C PRO A 42 -1.799 -15.008 -2.131 1.00 0.00 C ATOM 599 O PRO A 42 -1.010 -15.863 -1.732 1.00 0.00 O ATOM 600 CB PRO A 42 -2.485 -13.304 -0.421 1.00 0.00 C ATOM 601 CG PRO A 42 -2.040 -13.869 0.883 1.00 0.00 C ATOM 602 CD PRO A 42 -2.918 -15.063 1.138 1.00 0.00 C ATOM 0 HA PRO A 42 -3.760 -14.310 -1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.675 -12.770 -0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.301 -12.594 -0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.990 -14.158 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.140 -13.134 1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.385 -15.846 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.790 -14.800 1.737 1.00 0.00 H new ATOM 610 N GLN A 43 -1.725 -14.461 -3.340 1.00 0.00 N ATOM 611 CA GLN A 43 -0.686 -14.844 -4.289 1.00 0.00 C ATOM 612 C GLN A 43 0.542 -13.950 -4.142 1.00 0.00 C ATOM 613 O GLN A 43 0.426 -12.727 -4.070 1.00 0.00 O ATOM 614 CB GLN A 43 -1.219 -14.767 -5.720 1.00 0.00 C ATOM 615 CG GLN A 43 -1.987 -16.006 -6.151 1.00 0.00 C ATOM 616 CD GLN A 43 -3.085 -15.695 -7.149 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.247 -16.042 -6.939 1.00 0.00 O ATOM 618 NE2 GLN A 43 -2.721 -15.038 -8.244 1.00 0.00 N ATOM 0 H GLN A 43 -2.372 -13.752 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.393 -15.871 -4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.869 -13.897 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.383 -14.612 -6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.294 -16.723 -6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.424 -16.482 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.746 -14.770 -8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.416 -14.802 -8.952 1.00 0.00 H new ATOM 627 N ASP A 44 1.716 -14.569 -4.099 1.00 0.00 N ATOM 628 CA ASP A 44 2.966 -13.830 -3.962 1.00 0.00 C ATOM 629 C ASP A 44 2.976 -12.606 -4.873 1.00 0.00 C ATOM 630 O ASP A 44 2.757 -12.715 -6.078 1.00 0.00 O ATOM 631 CB ASP A 44 4.156 -14.734 -4.288 1.00 0.00 C ATOM 632 CG ASP A 44 5.464 -13.969 -4.347 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.648 -13.182 -5.299 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.304 -14.159 -3.442 1.00 0.00 O ATOM 0 H ASP A 44 1.829 -15.581 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 44 3.049 -13.492 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.230 -15.518 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.983 -15.227 -5.245 1.00 0.00 H new ATOM 639 N GLY A 45 3.231 -11.440 -4.286 1.00 0.00 N ATOM 640 CA GLY A 45 3.264 -10.213 -5.059 1.00 0.00 C ATOM 641 C GLY A 45 2.026 -9.363 -4.850 1.00 0.00 C ATOM 642 O GLY A 45 1.985 -8.202 -5.259 1.00 0.00 O ATOM 0 H GLY A 45 3.415 -11.324 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.147 -9.637 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.360 -10.456 -6.117 1.00 0.00 H new ATOM 646 N LEU A 46 1.014 -9.941 -4.213 1.00 0.00 N ATOM 647 CA LEU A 46 -0.232 -9.229 -3.951 1.00 0.00 C ATOM 648 C LEU A 46 0.039 -7.887 -3.279 1.00 0.00 C ATOM 649 O LEU A 46 0.365 -7.829 -2.093 1.00 0.00 O ATOM 650 CB LEU A 46 -1.151 -10.077 -3.070 1.00 0.00 C ATOM 651 CG LEU A 46 -2.646 -9.770 -3.169 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.154 -10.040 -4.577 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.427 -10.589 -2.151 1.00 0.00 C ATOM 0 H LEU A 46 1.032 -10.901 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.724 -9.044 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.998 -11.126 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.843 -9.952 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.796 -8.713 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.219 -9.816 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.616 -9.410 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.991 -11.088 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.489 -10.358 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.271 -11.651 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.082 -10.346 -1.146 1.00 0.00 H new ATOM 665 N TYR A 47 -0.101 -6.810 -4.043 1.00 0.00 N ATOM 666 CA TYR A 47 0.129 -5.467 -3.522 1.00 0.00 C ATOM 667 C TYR A 47 -1.156 -4.646 -3.548 1.00 0.00 C ATOM 668 O TYR A 47 -2.106 -4.979 -4.259 1.00 0.00 O ATOM 669 CB TYR A 47 1.215 -4.761 -4.335 1.00 0.00 C ATOM 670 CG TYR A 47 0.829 -4.513 -5.776 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.045 -5.480 -6.749 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.248 -3.312 -6.163 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.694 -5.258 -8.067 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.107 -3.081 -7.478 1.00 0.00 C ATOM 675 CZ TYR A 47 0.119 -4.056 -8.426 1.00 0.00 C ATOM 676 OH TYR A 47 -0.233 -3.831 -9.737 1.00 0.00 O ATOM 0 H TYR A 47 -0.373 -6.840 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 47 0.460 -5.558 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.449 -3.808 -3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.124 -5.362 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.495 -6.422 -6.471 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.071 -2.546 -5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.869 -6.021 -8.812 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.559 -2.142 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.626 -2.937 -9.821 1.00 0.00 H new ATOM 686 N CYS A 48 -1.179 -3.570 -2.770 1.00 0.00 N ATOM 687 CA CYS A 48 -2.347 -2.699 -2.702 1.00 0.00 C ATOM 688 C CYS A 48 -1.971 -1.327 -2.151 1.00 0.00 C ATOM 689 O CYS A 48 -0.796 -1.042 -1.918 1.00 0.00 O ATOM 690 CB CYS A 48 -3.431 -3.332 -1.830 1.00 0.00 C ATOM 691 SG CYS A 48 -3.306 -2.913 -0.075 1.00 0.00 S ATOM 0 H CYS A 48 -0.402 -3.279 -2.177 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.733 -2.571 -3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.408 -3.018 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.382 -4.416 -1.938 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.376 -3.314 0.544 1.00 0.00 H new ATOM 697 N ILE A 49 -2.976 -0.481 -1.948 1.00 0.00 N ATOM 698 CA ILE A 49 -2.750 0.861 -1.426 1.00 0.00 C ATOM 699 C ILE A 49 -3.796 1.226 -0.378 1.00 0.00 C ATOM 700 O ILE A 49 -4.976 1.382 -0.692 1.00 0.00 O ATOM 701 CB ILE A 49 -2.776 1.914 -2.549 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.702 1.603 -3.594 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.575 3.307 -1.973 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.895 2.345 -4.898 1.00 0.00 C ATOM 0 H ILE A 49 -3.954 -0.701 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.762 0.858 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.751 1.881 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.724 1.854 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.699 0.531 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.596 4.040 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.372 3.526 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.612 3.355 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.098 2.076 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.858 2.075 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.868 3.419 -4.713 1.00 0.00 H new ATOM 716 N ARG A 50 -3.355 1.361 0.868 1.00 0.00 N ATOM 717 CA ARG A 50 -4.253 1.709 1.963 1.00 0.00 C ATOM 718 C ARG A 50 -3.822 3.013 2.626 1.00 0.00 C ATOM 719 O ARG A 50 -2.684 3.454 2.470 1.00 0.00 O ATOM 720 CB ARG A 50 -4.287 0.584 3.000 1.00 0.00 C ATOM 721 CG ARG A 50 -3.010 0.469 3.816 1.00 0.00 C ATOM 722 CD ARG A 50 -3.295 -0.006 5.232 1.00 0.00 C ATOM 723 NE ARG A 50 -2.342 0.541 6.195 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.269 -0.115 6.620 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.012 -1.336 6.170 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.449 0.449 7.497 1.00 0.00 N ATOM 0 H ARG A 50 -2.381 1.235 1.145 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.253 1.844 1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.126 0.749 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.469 -0.362 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.327 -0.226 3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.510 1.437 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.306 0.287 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.258 -1.095 5.264 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.510 1.478 6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.640 -1.774 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.187 -1.837 6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.643 1.388 7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.375 -0.056 7.823 1.00 0.00 H new ATOM 740 N ASN A 51 -4.740 3.626 3.367 1.00 0.00 N ATOM 741 CA ASN A 51 -4.455 4.881 4.053 1.00 0.00 C ATOM 742 C ASN A 51 -3.612 4.640 5.301 1.00 0.00 C ATOM 743 O ASN A 51 -3.611 3.542 5.859 1.00 0.00 O ATOM 744 CB ASN A 51 -5.759 5.586 4.433 1.00 0.00 C ATOM 745 CG ASN A 51 -6.445 6.218 3.237 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.386 7.432 3.044 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.101 5.394 2.428 1.00 0.00 N ATOM 0 H ASN A 51 -5.687 3.274 3.508 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.890 5.518 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.435 4.868 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.550 6.355 5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.583 5.761 1.607 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.123 4.394 2.627 1.00 0.00 H new ATOM 754 N SER A 52 -2.896 5.672 5.734 1.00 0.00 N ATOM 755 CA SER A 52 -2.046 5.572 6.915 1.00 0.00 C ATOM 756 C SER A 52 -2.554 6.482 8.029 1.00 0.00 C ATOM 757 O SER A 52 -2.837 6.027 9.137 1.00 0.00 O ATOM 758 CB SER A 52 -0.602 5.935 6.562 1.00 0.00 C ATOM 759 OG SER A 52 0.272 5.658 7.642 1.00 0.00 O ATOM 0 H SER A 52 -2.887 6.588 5.285 1.00 0.00 H new ATOM 0 HA SER A 52 -2.078 4.542 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.287 5.374 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.542 6.992 6.304 1.00 0.00 H new ATOM 0 HG SER A 52 1.189 5.897 7.391 1.00 0.00 H new ATOM 765 N SER A 53 -2.665 7.772 7.726 1.00 0.00 N ATOM 766 CA SER A 53 -3.135 8.748 8.702 1.00 0.00 C ATOM 767 C SER A 53 -4.352 9.502 8.174 1.00 0.00 C ATOM 768 O SER A 53 -5.412 9.510 8.800 1.00 0.00 O ATOM 769 CB SER A 53 -2.018 9.736 9.045 1.00 0.00 C ATOM 770 OG SER A 53 -2.212 10.300 10.330 1.00 0.00 O ATOM 0 H SER A 53 -2.436 8.165 6.813 1.00 0.00 H new ATOM 0 HA SER A 53 -3.426 8.211 9.605 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.055 9.227 9.010 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.987 10.529 8.297 1.00 0.00 H new ATOM 0 HG SER A 53 -1.484 10.926 10.526 1.00 0.00 H new ATOM 776 N THR A 54 -4.191 10.136 7.017 1.00 0.00 N ATOM 777 CA THR A 54 -5.274 10.894 6.403 1.00 0.00 C ATOM 778 C THR A 54 -5.045 11.068 4.906 1.00 0.00 C ATOM 779 O THR A 54 -3.980 10.732 4.387 1.00 0.00 O ATOM 780 CB THR A 54 -5.425 12.283 7.052 1.00 0.00 C ATOM 781 OG1 THR A 54 -5.236 12.185 8.469 1.00 0.00 O ATOM 782 CG2 THR A 54 -6.797 12.871 6.759 1.00 0.00 C ATOM 0 H THR A 54 -3.320 10.140 6.486 1.00 0.00 H new ATOM 0 HA THR A 54 -6.189 10.324 6.564 1.00 0.00 H new ATOM 0 HB THR A 54 -4.667 12.942 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.332 13.072 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.880 13.852 7.227 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.927 12.971 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.568 12.212 7.158 1.00 0.00 H new ATOM 790 N LYS A 55 -6.051 11.594 4.216 1.00 0.00 N ATOM 791 CA LYS A 55 -5.959 11.815 2.778 1.00 0.00 C ATOM 792 C LYS A 55 -4.616 12.436 2.407 1.00 0.00 C ATOM 793 O LYS A 55 -3.863 12.874 3.276 1.00 0.00 O ATOM 794 CB LYS A 55 -7.099 12.721 2.306 1.00 0.00 C ATOM 795 CG LYS A 55 -7.541 12.450 0.878 1.00 0.00 C ATOM 796 CD LYS A 55 -8.790 13.238 0.522 1.00 0.00 C ATOM 797 CE LYS A 55 -8.466 14.696 0.235 1.00 0.00 C ATOM 798 NZ LYS A 55 -9.679 15.557 0.301 1.00 0.00 N ATOM 0 H LYS A 55 -6.940 11.875 4.630 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.042 10.848 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.952 12.593 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.783 13.761 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.736 12.712 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.734 11.385 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.267 12.792 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.506 13.178 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.728 15.052 0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.014 14.780 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.416 16.543 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.373 15.233 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.096 15.497 1.252 1.00 0.00 H new ATOM 812 N SER A 56 -4.323 12.470 1.111 1.00 0.00 N ATOM 813 CA SER A 56 -3.069 13.035 0.625 1.00 0.00 C ATOM 814 C SER A 56 -1.876 12.249 1.160 1.00 0.00 C ATOM 815 O SER A 56 -0.890 12.827 1.614 1.00 0.00 O ATOM 816 CB SER A 56 -2.953 14.504 1.039 1.00 0.00 C ATOM 817 OG SER A 56 -3.790 15.325 0.244 1.00 0.00 O ATOM 0 H SER A 56 -4.937 12.113 0.379 1.00 0.00 H new ATOM 0 HA SER A 56 -3.067 12.970 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.224 14.612 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.918 14.832 0.942 1.00 0.00 H new ATOM 0 HG SER A 56 -3.699 16.258 0.529 1.00 0.00 H new ATOM 823 N GLY A 57 -1.974 10.924 1.101 1.00 0.00 N ATOM 824 CA GLY A 57 -0.897 10.078 1.582 1.00 0.00 C ATOM 825 C GLY A 57 -1.309 8.624 1.695 1.00 0.00 C ATOM 826 O GLY A 57 -2.326 8.304 2.310 1.00 0.00 O ATOM 0 H GLY A 57 -2.780 10.422 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.045 10.160 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.566 10.436 2.557 1.00 0.00 H new ATOM 830 N LYS A 58 -0.517 7.739 1.099 1.00 0.00 N ATOM 831 CA LYS A 58 -0.804 6.309 1.135 1.00 0.00 C ATOM 832 C LYS A 58 0.471 5.505 1.366 1.00 0.00 C ATOM 833 O LYS A 58 1.576 5.985 1.110 1.00 0.00 O ATOM 834 CB LYS A 58 -1.467 5.869 -0.172 1.00 0.00 C ATOM 835 CG LYS A 58 -2.828 6.501 -0.407 1.00 0.00 C ATOM 836 CD LYS A 58 -3.937 5.701 0.256 1.00 0.00 C ATOM 837 CE LYS A 58 -5.248 5.829 -0.505 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.906 7.142 -0.259 1.00 0.00 N ATOM 0 H LYS A 58 0.329 7.986 0.585 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.487 6.121 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.810 6.120 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.575 4.784 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.830 7.519 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.018 6.570 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.648 4.652 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.074 6.047 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.061 5.711 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.921 5.024 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.804 7.183 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.092 7.252 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.282 7.909 -0.582 1.00 0.00 H new ATOM 852 N VAL A 59 0.311 4.277 1.851 1.00 0.00 N ATOM 853 CA VAL A 59 1.449 3.405 2.114 1.00 0.00 C ATOM 854 C VAL A 59 1.317 2.087 1.360 1.00 0.00 C ATOM 855 O VAL A 59 0.619 1.173 1.802 1.00 0.00 O ATOM 856 CB VAL A 59 1.594 3.110 3.619 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.686 2.079 3.859 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.882 4.392 4.387 1.00 0.00 C ATOM 0 H VAL A 59 -0.596 3.864 2.069 1.00 0.00 H new ATOM 0 HA VAL A 59 2.338 3.932 1.767 1.00 0.00 H new ATOM 0 HB VAL A 59 0.653 2.698 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.774 1.884 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.433 1.154 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.635 2.459 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.982 4.166 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.809 4.834 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.062 5.095 4.241 1.00 0.00 H new ATOM 868 N LEU A 60 1.992 1.994 0.220 1.00 0.00 N ATOM 869 CA LEU A 60 1.952 0.786 -0.597 1.00 0.00 C ATOM 870 C LEU A 60 2.192 -0.456 0.255 1.00 0.00 C ATOM 871 O LEU A 60 3.285 -0.655 0.787 1.00 0.00 O ATOM 872 CB LEU A 60 2.997 0.865 -1.711 1.00 0.00 C ATOM 873 CG LEU A 60 3.378 -0.462 -2.370 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.283 -0.919 -3.321 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.705 -0.332 -3.103 1.00 0.00 C ATOM 0 H LEU A 60 2.574 2.741 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 60 0.960 0.711 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.625 1.538 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.901 1.317 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 60 3.490 -1.215 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.571 -1.864 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.353 -1.053 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.138 -0.168 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.960 -1.285 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.621 0.434 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.485 -0.052 -2.396 1.00 0.00 H new ATOM 887 N VAL A 61 1.165 -1.291 0.378 1.00 0.00 N ATOM 888 CA VAL A 61 1.266 -2.516 1.163 1.00 0.00 C ATOM 889 C VAL A 61 1.366 -3.740 0.259 1.00 0.00 C ATOM 890 O VAL A 61 0.412 -4.094 -0.434 1.00 0.00 O ATOM 891 CB VAL A 61 0.056 -2.682 2.101 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.109 -4.028 2.809 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.002 -1.543 3.108 1.00 0.00 C ATOM 0 H VAL A 61 0.254 -1.142 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 61 2.173 -2.435 1.763 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.853 -2.650 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.754 -4.127 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.095 -4.829 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.024 -4.094 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.859 -1.677 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.914 -1.541 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.088 -0.594 2.579 1.00 0.00 H new ATOM 903 N VAL A 62 2.529 -4.384 0.273 1.00 0.00 N ATOM 904 CA VAL A 62 2.755 -5.571 -0.544 1.00 0.00 C ATOM 905 C VAL A 62 2.789 -6.831 0.314 1.00 0.00 C ATOM 906 O VAL A 62 3.285 -6.813 1.441 1.00 0.00 O ATOM 907 CB VAL A 62 4.072 -5.466 -1.334 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.143 -6.548 -2.401 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.212 -4.084 -1.955 1.00 0.00 C ATOM 0 H VAL A 62 3.329 -4.104 0.841 1.00 0.00 H new ATOM 0 HA VAL A 62 1.923 -5.635 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 62 4.902 -5.615 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.081 -6.458 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.092 -7.529 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.307 -6.434 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.149 -4.028 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.378 -3.903 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.210 -3.330 -1.168 1.00 0.00 H new ATOM 919 N TRP A 63 2.259 -7.922 -0.226 1.00 0.00 N ATOM 920 CA TRP A 63 2.228 -9.192 0.491 1.00 0.00 C ATOM 921 C TRP A 63 3.532 -9.958 0.296 1.00 0.00 C ATOM 922 O TRP A 63 4.147 -9.895 -0.769 1.00 0.00 O ATOM 923 CB TRP A 63 1.048 -10.041 0.016 1.00 0.00 C ATOM 924 CG TRP A 63 1.122 -11.467 0.471 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.391 -12.561 -0.302 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.921 -11.954 1.802 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.370 -13.698 0.469 1.00 0.00 N ATOM 928 CE2 TRP A 63 1.085 -13.353 1.763 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.622 -11.345 3.023 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.958 -14.148 2.899 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.495 -12.136 4.149 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.664 -13.525 4.081 1.00 0.00 C ATOM 0 H TRP A 63 1.845 -7.953 -1.158 1.00 0.00 H new ATOM 0 HA TRP A 63 2.108 -8.979 1.553 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.121 -9.598 0.380 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.007 -10.016 -1.073 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.591 -12.536 -1.363 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.539 -14.646 0.132 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.492 -10.275 3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.087 -15.219 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.261 -11.676 5.098 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.560 -14.116 4.979 1.00 0.00 H new ATOM 943 N ASP A 64 3.949 -10.680 1.330 1.00 0.00 N ATOM 944 CA ASP A 64 5.180 -11.460 1.272 1.00 0.00 C ATOM 945 C ASP A 64 4.886 -12.951 1.407 1.00 0.00 C ATOM 946 O ASP A 64 4.596 -13.438 2.499 1.00 0.00 O ATOM 947 CB ASP A 64 6.144 -11.015 2.373 1.00 0.00 C ATOM 948 CG ASP A 64 5.993 -9.545 2.714 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.516 -8.781 1.850 1.00 0.00 O ATOM 950 OD2 ASP A 64 6.352 -9.160 3.847 1.00 0.00 O ATOM 0 H ASP A 64 3.453 -10.741 2.219 1.00 0.00 H new ATOM 0 HA ASP A 64 5.645 -11.287 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.970 -11.613 3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.169 -11.208 2.055 1.00 0.00 H new ATOM 955 N GLU A 65 4.964 -13.668 0.291 1.00 0.00 N ATOM 956 CA GLU A 65 4.704 -15.103 0.286 1.00 0.00 C ATOM 957 C GLU A 65 5.857 -15.867 0.931 1.00 0.00 C ATOM 958 O GLU A 65 5.650 -16.881 1.598 1.00 0.00 O ATOM 959 CB GLU A 65 4.485 -15.600 -1.144 1.00 0.00 C ATOM 960 CG GLU A 65 4.347 -17.109 -1.250 1.00 0.00 C ATOM 961 CD GLU A 65 5.686 -17.820 -1.243 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.456 -17.646 -2.211 1.00 0.00 O ATOM 963 OE2 GLU A 65 5.965 -18.549 -0.268 1.00 0.00 O ATOM 0 H GLU A 65 5.205 -13.279 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 65 3.800 -15.284 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.587 -15.132 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.321 -15.276 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.742 -17.474 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.813 -17.358 -2.167 1.00 0.00 H new ATOM 970 N THR A 66 7.074 -15.373 0.726 1.00 0.00 N ATOM 971 CA THR A 66 8.261 -16.008 1.284 1.00 0.00 C ATOM 972 C THR A 66 8.355 -15.773 2.787 1.00 0.00 C ATOM 973 O THR A 66 8.891 -16.602 3.523 1.00 0.00 O ATOM 974 CB THR A 66 9.546 -15.486 0.613 1.00 0.00 C ATOM 975 OG1 THR A 66 9.567 -14.055 0.642 1.00 0.00 O ATOM 976 CG2 THR A 66 9.640 -15.972 -0.825 1.00 0.00 C ATOM 0 H THR A 66 7.263 -14.534 0.177 1.00 0.00 H new ATOM 0 HA THR A 66 8.168 -17.077 1.091 1.00 0.00 H new ATOM 0 HB THR A 66 10.402 -15.872 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.388 -13.731 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.555 -15.591 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.654 -17.062 -0.841 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.779 -15.612 -1.388 1.00 0.00 H new ATOM 984 N SER A 67 7.829 -14.638 3.238 1.00 0.00 N ATOM 985 CA SER A 67 7.857 -14.293 4.655 1.00 0.00 C ATOM 986 C SER A 67 6.491 -14.519 5.296 1.00 0.00 C ATOM 987 O SER A 67 6.374 -14.608 6.517 1.00 0.00 O ATOM 988 CB SER A 67 8.283 -12.835 4.837 1.00 0.00 C ATOM 989 OG SER A 67 9.673 -12.677 4.607 1.00 0.00 O ATOM 0 H SER A 67 7.379 -13.942 2.643 1.00 0.00 H new ATOM 0 HA SER A 67 8.582 -14.941 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.723 -12.201 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.038 -12.505 5.847 1.00 0.00 H new ATOM 0 HG SER A 67 9.920 -11.736 4.728 1.00 0.00 H new ATOM 995 N ASN A 68 5.461 -14.611 4.461 1.00 0.00 N ATOM 996 CA ASN A 68 4.102 -14.827 4.945 1.00 0.00 C ATOM 997 C ASN A 68 3.638 -13.654 5.803 1.00 0.00 C ATOM 998 O ASN A 68 3.075 -13.843 6.882 1.00 0.00 O ATOM 999 CB ASN A 68 4.025 -16.125 5.751 1.00 0.00 C ATOM 1000 CG ASN A 68 2.618 -16.687 5.809 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.646 -15.986 5.529 1.00 0.00 O ATOM 1002 ND2 ASN A 68 2.504 -17.959 6.175 1.00 0.00 N ATOM 0 H ASN A 68 5.541 -14.539 3.447 1.00 0.00 H new ATOM 0 HA ASN A 68 3.443 -14.905 4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.691 -16.865 5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.382 -15.942 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.582 -18.392 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.338 -18.502 6.398 1.00 0.00 H new ATOM 1009 N LYS A 69 3.876 -12.441 5.316 1.00 0.00 N ATOM 1010 CA LYS A 69 3.482 -11.235 6.036 1.00 0.00 C ATOM 1011 C LYS A 69 3.299 -10.064 5.076 1.00 0.00 C ATOM 1012 O LYS A 69 3.518 -10.195 3.872 1.00 0.00 O ATOM 1013 CB LYS A 69 4.529 -10.883 7.094 1.00 0.00 C ATOM 1014 CG LYS A 69 5.957 -10.935 6.578 1.00 0.00 C ATOM 1015 CD LYS A 69 6.855 -9.962 7.324 1.00 0.00 C ATOM 1016 CE LYS A 69 7.098 -10.413 8.756 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.429 -9.972 9.258 1.00 0.00 N ATOM 0 H LYS A 69 4.340 -12.267 4.425 1.00 0.00 H new ATOM 0 HA LYS A 69 2.529 -11.430 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.326 -9.882 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.430 -11.571 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.347 -11.947 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.969 -10.700 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.808 -9.873 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.399 -8.972 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.316 -10.012 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.031 -11.500 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.557 -10.299 10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.177 -10.375 8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.484 -8.934 9.230 1.00 0.00 H new ATOM 1031 N VAL A 70 2.898 -8.918 5.618 1.00 0.00 N ATOM 1032 CA VAL A 70 2.688 -7.723 4.810 1.00 0.00 C ATOM 1033 C VAL A 70 3.645 -6.608 5.219 1.00 0.00 C ATOM 1034 O VAL A 70 3.898 -6.398 6.405 1.00 0.00 O ATOM 1035 CB VAL A 70 1.240 -7.211 4.929 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.253 -8.324 4.613 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.989 -6.643 6.318 1.00 0.00 C ATOM 0 H VAL A 70 2.712 -8.792 6.613 1.00 0.00 H new ATOM 0 HA VAL A 70 2.882 -8.003 3.775 1.00 0.00 H new ATOM 0 HB VAL A 70 1.094 -6.412 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.765 -7.944 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.420 -8.680 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.396 -9.147 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.039 -6.286 6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.152 -7.421 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.674 -5.815 6.502 1.00 0.00 H new ATOM 1047 N ARG A 71 4.173 -5.896 4.229 1.00 0.00 N ATOM 1048 CA ARG A 71 5.103 -4.803 4.486 1.00 0.00 C ATOM 1049 C ARG A 71 4.386 -3.457 4.434 1.00 0.00 C ATOM 1050 O ARG A 71 3.173 -3.395 4.238 1.00 0.00 O ATOM 1051 CB ARG A 71 6.243 -4.825 3.467 1.00 0.00 C ATOM 1052 CG ARG A 71 6.985 -6.151 3.412 1.00 0.00 C ATOM 1053 CD ARG A 71 7.810 -6.379 4.669 1.00 0.00 C ATOM 1054 NE ARG A 71 8.756 -5.292 4.909 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.351 -5.080 6.077 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.101 -5.877 7.107 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.200 -4.070 6.217 1.00 0.00 N ATOM 0 H ARG A 71 3.973 -6.056 3.242 1.00 0.00 H new ATOM 0 HA ARG A 71 5.516 -4.938 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.840 -4.602 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.951 -4.032 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.270 -6.965 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.637 -6.168 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.144 -6.476 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.354 -7.319 4.580 1.00 0.00 H new ATOM 0 HE ARG A 71 8.971 -4.661 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.450 -6.655 7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.560 -5.712 8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.396 -3.455 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.656 -3.908 7.115 1.00 0.00 H new ATOM 1071 N ASN A 72 5.146 -2.381 4.612 1.00 0.00 N ATOM 1072 CA ASN A 72 4.584 -1.035 4.587 1.00 0.00 C ATOM 1073 C ASN A 72 5.512 -0.072 3.853 1.00 0.00 C ATOM 1074 O ASN A 72 6.554 0.322 4.376 1.00 0.00 O ATOM 1075 CB ASN A 72 4.336 -0.537 6.012 1.00 0.00 C ATOM 1076 CG ASN A 72 3.505 -1.508 6.828 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.354 -1.790 6.494 1.00 0.00 O ATOM 1078 ND2 ASN A 72 4.086 -2.025 7.904 1.00 0.00 N ATOM 0 H ASN A 72 6.152 -2.415 4.775 1.00 0.00 H new ATOM 0 HA ASN A 72 3.635 -1.074 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.293 -0.375 6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.829 0.427 5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.576 -2.685 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.042 -1.763 8.143 1.00 0.00 H new ATOM 1085 N TYR A 73 5.125 0.305 2.639 1.00 0.00 N ATOM 1086 CA TYR A 73 5.922 1.221 1.833 1.00 0.00 C ATOM 1087 C TYR A 73 5.254 2.589 1.742 1.00 0.00 C ATOM 1088 O TYR A 73 4.409 2.824 0.878 1.00 0.00 O ATOM 1089 CB TYR A 73 6.131 0.649 0.430 1.00 0.00 C ATOM 1090 CG TYR A 73 6.922 -0.640 0.413 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.309 -0.627 0.333 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.281 -1.872 0.478 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.035 -1.802 0.317 1.00 0.00 C ATOM 1094 CE2 TYR A 73 6.999 -3.052 0.464 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.376 -3.012 0.382 1.00 0.00 C ATOM 1096 OH TYR A 73 9.096 -4.184 0.368 1.00 0.00 O ATOM 0 H TYR A 73 4.264 -0.010 2.192 1.00 0.00 H new ATOM 0 HA TYR A 73 6.891 1.342 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.159 0.475 -0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.646 1.389 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.829 0.318 0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.203 -1.907 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.113 -1.773 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.486 -4.001 0.517 1.00 0.00 H new ATOM 0 HH TYR A 73 10.026 -3.999 0.615 1.00 0.00 H new ATOM 1106 N ARG A 74 5.640 3.490 2.640 1.00 0.00 N ATOM 1107 CA ARG A 74 5.080 4.835 2.662 1.00 0.00 C ATOM 1108 C ARG A 74 5.271 5.527 1.316 1.00 0.00 C ATOM 1109 O ARG A 74 6.363 5.509 0.747 1.00 0.00 O ATOM 1110 CB ARG A 74 5.732 5.664 3.770 1.00 0.00 C ATOM 1111 CG ARG A 74 4.984 6.949 4.090 1.00 0.00 C ATOM 1112 CD ARG A 74 5.390 7.506 5.446 1.00 0.00 C ATOM 1113 NE ARG A 74 4.301 8.244 6.081 1.00 0.00 N ATOM 1114 CZ ARG A 74 3.832 9.400 5.625 1.00 0.00 C ATOM 1115 NH1 ARG A 74 4.353 9.947 4.535 1.00 0.00 N ATOM 1116 NH2 ARG A 74 2.840 10.011 6.259 1.00 0.00 N ATOM 0 H ARG A 74 6.338 3.312 3.362 1.00 0.00 H new ATOM 0 HA ARG A 74 4.011 4.752 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.799 5.058 4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.752 5.911 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.184 7.690 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.911 6.759 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.701 6.688 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.251 8.163 5.325 1.00 0.00 H new ATOM 0 HE ARG A 74 3.877 7.850 6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.116 9.480 4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.991 10.835 4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.437 9.593 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.481 10.899 5.908 1.00 0.00 H new ATOM 1130 N ILE A 75 4.203 6.135 0.811 1.00 0.00 N ATOM 1131 CA ILE A 75 4.254 6.832 -0.468 1.00 0.00 C ATOM 1132 C ILE A 75 4.358 8.340 -0.268 1.00 0.00 C ATOM 1133 O ILE A 75 3.348 9.039 -0.195 1.00 0.00 O ATOM 1134 CB ILE A 75 3.013 6.525 -1.327 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.858 5.014 -1.516 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.114 7.225 -2.673 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.425 4.574 -1.719 1.00 0.00 C ATOM 0 H ILE A 75 3.292 6.159 1.268 1.00 0.00 H new ATOM 0 HA ILE A 75 5.143 6.474 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 75 2.130 6.900 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.451 4.701 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.266 4.503 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.230 6.998 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.181 8.302 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.004 6.877 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.391 3.492 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.831 4.856 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.019 5.057 -2.608 1.00 0.00 H new ATOM 1149 N PHE A 76 5.588 8.836 -0.181 1.00 0.00 N ATOM 1150 CA PHE A 76 5.826 10.262 0.009 1.00 0.00 C ATOM 1151 C PHE A 76 5.534 11.038 -1.272 1.00 0.00 C ATOM 1152 O PHE A 76 5.249 10.450 -2.314 1.00 0.00 O ATOM 1153 CB PHE A 76 7.271 10.506 0.448 1.00 0.00 C ATOM 1154 CG PHE A 76 7.627 9.830 1.742 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.339 10.433 2.955 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.251 8.593 1.744 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.664 9.814 4.148 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.578 7.969 2.933 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.286 8.581 4.136 1.00 0.00 C ATOM 0 H PHE A 76 6.435 8.271 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 76 5.152 10.616 0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.944 10.154 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.435 11.579 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.855 11.398 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.484 8.111 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.432 10.294 5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.062 7.003 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.544 8.096 5.066 1.00 0.00 H new ATOM 1169 N GLU A 77 5.607 12.363 -1.184 1.00 0.00 N ATOM 1170 CA GLU A 77 5.349 13.219 -2.335 1.00 0.00 C ATOM 1171 C GLU A 77 6.450 14.264 -2.494 1.00 0.00 C ATOM 1172 O GLU A 77 6.418 15.318 -1.859 1.00 0.00 O ATOM 1173 CB GLU A 77 3.991 13.911 -2.190 1.00 0.00 C ATOM 1174 CG GLU A 77 3.539 14.634 -3.448 1.00 0.00 C ATOM 1175 CD GLU A 77 2.573 15.765 -3.155 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.521 15.501 -2.536 1.00 0.00 O ATOM 1177 OE2 GLU A 77 2.868 16.914 -3.545 1.00 0.00 O ATOM 0 H GLU A 77 5.842 12.866 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 77 5.336 12.592 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.241 13.168 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.043 14.626 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.411 15.031 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.064 13.921 -4.122 1.00 0.00 H new ATOM 1184 N LYS A 78 7.424 13.963 -3.345 1.00 0.00 N ATOM 1185 CA LYS A 78 8.536 14.874 -3.589 1.00 0.00 C ATOM 1186 C LYS A 78 8.676 15.174 -5.078 1.00 0.00 C ATOM 1187 O LYS A 78 8.474 14.299 -5.920 1.00 0.00 O ATOM 1188 CB LYS A 78 9.839 14.277 -3.054 1.00 0.00 C ATOM 1189 CG LYS A 78 11.086 14.882 -3.675 1.00 0.00 C ATOM 1190 CD LYS A 78 12.351 14.272 -3.094 1.00 0.00 C ATOM 1191 CE LYS A 78 12.645 14.817 -1.705 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.457 16.064 -1.758 1.00 0.00 N ATOM 0 H LYS A 78 7.466 13.094 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 78 8.330 15.807 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.877 14.418 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.838 13.202 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.068 14.727 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.091 15.959 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.245 13.188 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.193 14.481 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.707 15.017 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.176 14.063 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.636 16.403 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.363 15.868 -2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.940 16.793 -2.291 1.00 0.00 H new ATOM 1206 N ASP A 79 9.024 16.416 -5.396 1.00 0.00 N ATOM 1207 CA ASP A 79 9.194 16.831 -6.784 1.00 0.00 C ATOM 1208 C ASP A 79 7.984 16.432 -7.623 1.00 0.00 C ATOM 1209 O ASP A 79 8.095 16.218 -8.830 1.00 0.00 O ATOM 1210 CB ASP A 79 10.463 16.213 -7.372 1.00 0.00 C ATOM 1211 CG ASP A 79 10.928 16.927 -8.625 1.00 0.00 C ATOM 1212 OD1 ASP A 79 11.583 17.983 -8.498 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.637 16.432 -9.734 1.00 0.00 O ATOM 0 H ASP A 79 9.194 17.153 -4.712 1.00 0.00 H new ATOM 0 HA ASP A 79 9.285 17.917 -6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.257 16.241 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.279 15.164 -7.602 1.00 0.00 H new ATOM 1218 N SER A 80 6.827 16.333 -6.974 1.00 0.00 N ATOM 1219 CA SER A 80 5.597 15.955 -7.659 1.00 0.00 C ATOM 1220 C SER A 80 5.667 14.510 -8.144 1.00 0.00 C ATOM 1221 O SER A 80 5.096 14.161 -9.177 1.00 0.00 O ATOM 1222 CB SER A 80 5.339 16.890 -8.842 1.00 0.00 C ATOM 1223 OG SER A 80 3.962 16.917 -9.179 1.00 0.00 O ATOM 0 H SER A 80 6.717 16.509 -5.975 1.00 0.00 H new ATOM 0 HA SER A 80 4.774 16.042 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.676 17.897 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.921 16.562 -9.703 1.00 0.00 H new ATOM 0 HG SER A 80 3.653 16.006 -9.365 1.00 0.00 H new ATOM 1229 N LYS A 81 6.372 13.673 -7.390 1.00 0.00 N ATOM 1230 CA LYS A 81 6.518 12.265 -7.739 1.00 0.00 C ATOM 1231 C LYS A 81 6.454 11.386 -6.495 1.00 0.00 C ATOM 1232 O LYS A 81 7.037 11.713 -5.461 1.00 0.00 O ATOM 1233 CB LYS A 81 7.841 12.035 -8.472 1.00 0.00 C ATOM 1234 CG LYS A 81 8.054 12.969 -9.651 1.00 0.00 C ATOM 1235 CD LYS A 81 8.912 12.323 -10.726 1.00 0.00 C ATOM 1236 CE LYS A 81 9.317 13.327 -11.795 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.687 12.659 -13.073 1.00 0.00 N ATOM 0 H LYS A 81 6.852 13.946 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 81 5.693 11.992 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.663 12.160 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.877 11.004 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.089 13.249 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.530 13.887 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.805 11.894 -10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.363 11.502 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.494 14.020 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.160 13.918 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.957 13.378 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.489 12.017 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.875 12.115 -13.428 1.00 0.00 H new ATOM 1251 N PHE A 82 5.743 10.268 -6.601 1.00 0.00 N ATOM 1252 CA PHE A 82 5.604 9.342 -5.484 1.00 0.00 C ATOM 1253 C PHE A 82 6.867 8.502 -5.313 1.00 0.00 C ATOM 1254 O PHE A 82 7.283 7.793 -6.230 1.00 0.00 O ATOM 1255 CB PHE A 82 4.396 8.428 -5.699 1.00 0.00 C ATOM 1256 CG PHE A 82 3.155 9.163 -6.116 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.620 10.157 -5.312 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.523 8.861 -7.311 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.477 10.835 -5.693 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.381 9.536 -7.698 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.858 10.525 -6.888 1.00 0.00 C ATOM 0 H PHE A 82 5.254 9.982 -7.449 1.00 0.00 H new ATOM 0 HA PHE A 82 5.452 9.927 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.642 7.687 -6.459 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.194 7.884 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.101 10.405 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.928 8.089 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.069 11.606 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.898 9.291 -8.632 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.034 11.055 -7.189 1.00 0.00 H new ATOM 1271 N TYR A 83 7.473 8.589 -4.134 1.00 0.00 N ATOM 1272 CA TYR A 83 8.690 7.840 -3.843 1.00 0.00 C ATOM 1273 C TYR A 83 8.569 7.098 -2.515 1.00 0.00 C ATOM 1274 O TYR A 83 7.702 7.405 -1.696 1.00 0.00 O ATOM 1275 CB TYR A 83 9.895 8.780 -3.807 1.00 0.00 C ATOM 1276 CG TYR A 83 9.965 9.628 -2.557 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.574 9.150 -1.403 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.421 10.906 -2.529 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.640 9.920 -0.258 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.483 11.684 -1.389 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.093 11.187 -0.256 1.00 0.00 C ATOM 1282 OH TYR A 83 10.156 11.958 0.882 1.00 0.00 O ATOM 0 H TYR A 83 7.141 9.171 -3.364 1.00 0.00 H new ATOM 0 HA TYR A 83 8.833 7.106 -4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.808 8.190 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.861 9.434 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.003 8.159 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.941 11.298 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.117 9.533 0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.056 12.676 -1.385 1.00 0.00 H new ATOM 0 HH TYR A 83 9.483 11.649 1.524 1.00 0.00 H new ATOM 1292 N LEU A 84 9.445 6.121 -2.309 1.00 0.00 N ATOM 1293 CA LEU A 84 9.439 5.334 -1.081 1.00 0.00 C ATOM 1294 C LEU A 84 10.779 5.438 -0.361 1.00 0.00 C ATOM 1295 O LEU A 84 10.840 5.392 0.867 1.00 0.00 O ATOM 1296 CB LEU A 84 9.126 3.870 -1.391 1.00 0.00 C ATOM 1297 CG LEU A 84 8.022 3.623 -2.420 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.880 2.135 -2.704 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.702 4.203 -1.936 1.00 0.00 C ATOM 0 H LEU A 84 10.169 5.855 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 84 8.664 5.734 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.039 3.391 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.846 3.374 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 84 8.298 4.125 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.090 1.979 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.821 1.748 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.627 1.611 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.928 4.018 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.420 3.731 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.810 5.277 -1.785 1.00 0.00 H new ATOM 1311 N GLU A 85 11.851 5.581 -1.134 1.00 0.00 N ATOM 1312 CA GLU A 85 13.191 5.693 -0.569 1.00 0.00 C ATOM 1313 C GLU A 85 13.610 7.156 -0.449 1.00 0.00 C ATOM 1314 O GLU A 85 14.171 7.570 0.564 1.00 0.00 O ATOM 1315 CB GLU A 85 14.198 4.932 -1.433 1.00 0.00 C ATOM 1316 CG GLU A 85 14.268 5.428 -2.868 1.00 0.00 C ATOM 1317 CD GLU A 85 15.308 4.693 -3.690 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.001 3.588 -4.183 1.00 0.00 O ATOM 1319 OE2 GLU A 85 16.429 5.223 -3.840 1.00 0.00 O ATOM 0 H GLU A 85 11.818 5.622 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 85 13.175 5.254 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.186 5.014 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.935 3.874 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.291 5.311 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.496 6.494 -2.869 1.00 0.00 H new ATOM 1326 N GLY A 86 13.333 7.933 -1.492 1.00 0.00 N ATOM 1327 CA GLY A 86 13.688 9.339 -1.484 1.00 0.00 C ATOM 1328 C GLY A 86 14.303 9.790 -2.794 1.00 0.00 C ATOM 1329 O GLY A 86 13.901 10.807 -3.358 1.00 0.00 O ATOM 0 H GLY A 86 12.869 7.613 -2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.798 9.934 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.390 9.528 -0.672 1.00 0.00 H new ATOM 1333 N GLU A 87 15.281 9.031 -3.279 1.00 0.00 N ATOM 1334 CA GLU A 87 15.954 9.360 -4.530 1.00 0.00 C ATOM 1335 C GLU A 87 15.197 8.782 -5.723 1.00 0.00 C ATOM 1336 O GLU A 87 15.235 9.334 -6.823 1.00 0.00 O ATOM 1337 CB GLU A 87 17.389 8.831 -4.518 1.00 0.00 C ATOM 1338 CG GLU A 87 17.889 8.395 -5.885 1.00 0.00 C ATOM 1339 CD GLU A 87 19.391 8.546 -6.033 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.882 9.692 -5.965 1.00 0.00 O ATOM 1341 OE2 GLU A 87 20.075 7.517 -6.216 1.00 0.00 O ATOM 0 H GLU A 87 15.625 8.185 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 87 15.976 10.446 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 87 18.050 9.606 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.450 7.986 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.614 7.354 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.391 8.984 -6.655 1.00 0.00 H new ATOM 1348 N VAL A 88 14.510 7.667 -5.496 1.00 0.00 N ATOM 1349 CA VAL A 88 13.744 7.013 -6.551 1.00 0.00 C ATOM 1350 C VAL A 88 12.264 7.368 -6.456 1.00 0.00 C ATOM 1351 O VAL A 88 11.528 6.797 -5.650 1.00 0.00 O ATOM 1352 CB VAL A 88 13.898 5.482 -6.490 1.00 0.00 C ATOM 1353 CG1 VAL A 88 12.886 4.807 -7.402 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.317 5.075 -6.860 1.00 0.00 C ATOM 0 H VAL A 88 14.468 7.198 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 88 14.141 7.373 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 88 13.705 5.155 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.010 3.726 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.877 5.074 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.044 5.137 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.409 3.990 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.540 5.413 -7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.020 5.530 -6.162 1.00 0.00 H new ATOM 1364 N LEU A 89 11.834 8.315 -7.283 1.00 0.00 N ATOM 1365 CA LEU A 89 10.441 8.747 -7.293 1.00 0.00 C ATOM 1366 C LEU A 89 9.768 8.384 -8.613 1.00 0.00 C ATOM 1367 O LEU A 89 10.404 7.844 -9.518 1.00 0.00 O ATOM 1368 CB LEU A 89 10.353 10.256 -7.060 1.00 0.00 C ATOM 1369 CG LEU A 89 11.403 10.853 -6.123 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.630 11.292 -6.908 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.819 12.023 -5.344 1.00 0.00 C ATOM 0 H LEU A 89 12.430 8.798 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 89 9.920 8.230 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.429 10.757 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.365 10.484 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 89 11.707 10.085 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.367 11.715 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.061 10.432 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.342 12.045 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.580 12.436 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.487 12.794 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.971 11.679 -4.752 1.00 0.00 H new ATOM 1383 N PHE A 90 8.478 8.685 -8.716 1.00 0.00 N ATOM 1384 CA PHE A 90 7.719 8.392 -9.926 1.00 0.00 C ATOM 1385 C PHE A 90 6.591 9.402 -10.119 1.00 0.00 C ATOM 1386 O PHE A 90 5.732 9.564 -9.252 1.00 0.00 O ATOM 1387 CB PHE A 90 7.144 6.976 -9.862 1.00 0.00 C ATOM 1388 CG PHE A 90 8.194 5.907 -9.750 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.639 5.483 -8.508 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.735 5.327 -10.886 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.606 4.501 -8.403 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.701 4.344 -10.786 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.136 3.930 -9.543 1.00 0.00 C ATOM 0 H PHE A 90 7.936 9.132 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 90 8.397 8.464 -10.776 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.471 6.904 -9.008 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.546 6.795 -10.755 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.226 5.924 -7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.398 5.647 -11.861 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.947 4.180 -7.430 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.115 3.900 -11.679 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.890 3.161 -9.462 1.00 0.00 H new ATOM 1403 N VAL A 91 6.602 10.081 -11.261 1.00 0.00 N ATOM 1404 CA VAL A 91 5.581 11.076 -11.570 1.00 0.00 C ATOM 1405 C VAL A 91 4.188 10.554 -11.238 1.00 0.00 C ATOM 1406 O VAL A 91 3.267 11.330 -10.986 1.00 0.00 O ATOM 1407 CB VAL A 91 5.625 11.483 -13.054 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.919 10.445 -13.914 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.004 12.858 -13.247 1.00 0.00 C ATOM 0 H VAL A 91 7.307 9.961 -11.988 1.00 0.00 H new ATOM 0 HA VAL A 91 5.794 11.950 -10.955 1.00 0.00 H new ATOM 0 HB VAL A 91 6.667 11.532 -13.369 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.960 10.750 -14.960 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.412 9.480 -13.798 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.878 10.361 -13.602 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.043 13.130 -14.302 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.966 12.838 -12.916 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.557 13.593 -12.662 1.00 0.00 H new ATOM 1419 N SER A 92 4.041 9.233 -11.239 1.00 0.00 N ATOM 1420 CA SER A 92 2.758 8.606 -10.941 1.00 0.00 C ATOM 1421 C SER A 92 2.957 7.195 -10.397 1.00 0.00 C ATOM 1422 O SER A 92 3.914 6.508 -10.754 1.00 0.00 O ATOM 1423 CB SER A 92 1.884 8.563 -12.196 1.00 0.00 C ATOM 1424 OG SER A 92 2.589 8.002 -13.290 1.00 0.00 O ATOM 0 H SER A 92 4.794 8.576 -11.443 1.00 0.00 H new ATOM 0 HA SER A 92 2.257 9.203 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.987 7.976 -11.998 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.556 9.571 -12.449 1.00 0.00 H new ATOM 0 HG SER A 92 2.008 7.984 -14.079 1.00 0.00 H new ATOM 1430 N VAL A 93 2.044 6.767 -9.530 1.00 0.00 N ATOM 1431 CA VAL A 93 2.116 5.438 -8.937 1.00 0.00 C ATOM 1432 C VAL A 93 2.263 4.364 -10.009 1.00 0.00 C ATOM 1433 O VAL A 93 3.014 3.405 -9.843 1.00 0.00 O ATOM 1434 CB VAL A 93 0.868 5.133 -8.088 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.966 3.746 -7.472 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.684 6.192 -7.012 1.00 0.00 C ATOM 0 H VAL A 93 1.246 7.323 -9.223 1.00 0.00 H new ATOM 0 HA VAL A 93 2.996 5.427 -8.293 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.006 5.153 -8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.075 3.549 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.045 3.001 -8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.848 3.693 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.203 5.961 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.559 6.206 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.563 7.169 -7.480 1.00 0.00 H new ATOM 1446 N GLY A 94 1.539 4.534 -11.112 1.00 0.00 N ATOM 1447 CA GLY A 94 1.602 3.572 -12.196 1.00 0.00 C ATOM 1448 C GLY A 94 3.026 3.266 -12.617 1.00 0.00 C ATOM 1449 O GLY A 94 3.466 2.118 -12.556 1.00 0.00 O ATOM 0 H GLY A 94 0.910 5.321 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.111 2.649 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.048 3.957 -13.052 1.00 0.00 H new ATOM 1453 N SER A 95 3.749 4.296 -13.047 1.00 0.00 N ATOM 1454 CA SER A 95 5.130 4.131 -13.485 1.00 0.00 C ATOM 1455 C SER A 95 5.947 3.385 -12.435 1.00 0.00 C ATOM 1456 O SER A 95 6.709 2.474 -12.758 1.00 0.00 O ATOM 1457 CB SER A 95 5.764 5.494 -13.768 1.00 0.00 C ATOM 1458 OG SER A 95 5.528 5.898 -15.106 1.00 0.00 O ATOM 0 H SER A 95 3.401 5.253 -13.101 1.00 0.00 H new ATOM 0 HA SER A 95 5.127 3.543 -14.403 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.356 6.237 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.837 5.445 -13.583 1.00 0.00 H new ATOM 0 HG SER A 95 5.942 6.773 -15.261 1.00 0.00 H new ATOM 1464 N MET A 96 5.782 3.779 -11.177 1.00 0.00 N ATOM 1465 CA MET A 96 6.504 3.147 -10.078 1.00 0.00 C ATOM 1466 C MET A 96 6.330 1.632 -10.113 1.00 0.00 C ATOM 1467 O MET A 96 7.307 0.884 -10.077 1.00 0.00 O ATOM 1468 CB MET A 96 6.017 3.698 -8.736 1.00 0.00 C ATOM 1469 CG MET A 96 6.745 3.111 -7.538 1.00 0.00 C ATOM 1470 SD MET A 96 6.385 3.992 -6.006 1.00 0.00 S ATOM 1471 CE MET A 96 4.646 3.614 -5.800 1.00 0.00 C ATOM 0 H MET A 96 5.156 4.532 -10.893 1.00 0.00 H new ATOM 0 HA MET A 96 7.564 3.375 -10.193 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.140 4.781 -8.731 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.950 3.498 -8.636 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.465 2.064 -7.425 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.819 3.135 -7.723 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.381 3.684 -4.745 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.049 4.324 -6.372 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.448 2.603 -6.158 1.00 0.00 H new ATOM 1481 N VAL A 97 5.079 1.186 -10.182 1.00 0.00 N ATOM 1482 CA VAL A 97 4.777 -0.240 -10.222 1.00 0.00 C ATOM 1483 C VAL A 97 5.546 -0.933 -11.342 1.00 0.00 C ATOM 1484 O VAL A 97 6.178 -1.966 -11.126 1.00 0.00 O ATOM 1485 CB VAL A 97 3.270 -0.489 -10.418 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.970 -1.980 -10.409 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.468 0.232 -9.346 1.00 0.00 C ATOM 0 H VAL A 97 4.259 1.792 -10.211 1.00 0.00 H new ATOM 0 HA VAL A 97 5.084 -0.656 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 97 2.976 -0.090 -11.389 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.900 -2.137 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.517 -2.466 -11.217 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.278 -2.407 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.405 0.045 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.763 -0.135 -8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.661 1.303 -9.406 1.00 0.00 H new ATOM 1497 N GLU A 98 5.487 -0.356 -12.538 1.00 0.00 N ATOM 1498 CA GLU A 98 6.178 -0.919 -13.692 1.00 0.00 C ATOM 1499 C GLU A 98 7.682 -0.991 -13.444 1.00 0.00 C ATOM 1500 O GLU A 98 8.355 -1.914 -13.903 1.00 0.00 O ATOM 1501 CB GLU A 98 5.896 -0.083 -14.942 1.00 0.00 C ATOM 1502 CG GLU A 98 4.502 0.523 -14.966 1.00 0.00 C ATOM 1503 CD GLU A 98 3.966 0.696 -16.374 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.783 0.872 -17.302 1.00 0.00 O ATOM 1505 OE2 GLU A 98 2.730 0.654 -16.548 1.00 0.00 O ATOM 0 H GLU A 98 4.968 0.500 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 98 5.804 -1.931 -13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.633 0.718 -15.007 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.026 -0.709 -15.825 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.823 -0.114 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.522 1.492 -14.467 1.00 0.00 H new ATOM 1512 N HIS A 99 8.203 -0.009 -12.714 1.00 0.00 N ATOM 1513 CA HIS A 99 9.628 0.040 -12.405 1.00 0.00 C ATOM 1514 C HIS A 99 10.012 -1.076 -11.438 1.00 0.00 C ATOM 1515 O HIS A 99 11.000 -1.779 -11.647 1.00 0.00 O ATOM 1516 CB HIS A 99 9.995 1.398 -11.807 1.00 0.00 C ATOM 1517 CG HIS A 99 11.275 1.384 -11.029 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.574 0.840 -9.827 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.433 1.984 -11.476 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.895 1.117 -9.572 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.391 1.808 -10.583 1.00 0.00 N flip ATOM 0 H HIS A 99 7.660 0.763 -12.326 1.00 0.00 H new ATOM 0 HA HIS A 99 10.182 -0.101 -13.333 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.076 2.130 -12.611 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.187 1.729 -11.155 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.937 0.321 -9.223 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.540 2.515 -12.410 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.440 0.818 -8.689 1.00 0.00 H new ATOM 1530 N TYR A 100 9.226 -1.230 -10.378 1.00 0.00 N ATOM 1531 CA TYR A 100 9.486 -2.258 -9.377 1.00 0.00 C ATOM 1532 C TYR A 100 9.378 -3.652 -9.987 1.00 0.00 C ATOM 1533 O TYR A 100 10.112 -4.566 -9.610 1.00 0.00 O ATOM 1534 CB TYR A 100 8.506 -2.122 -8.210 1.00 0.00 C ATOM 1535 CG TYR A 100 8.781 -0.928 -7.325 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.081 -0.578 -6.981 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.741 -0.150 -6.831 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.337 0.511 -6.171 1.00 0.00 C ATOM 1539 CE2 TYR A 100 7.988 0.942 -6.022 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.287 1.269 -5.695 1.00 0.00 C ATOM 1541 OH TYR A 100 9.537 2.355 -4.888 1.00 0.00 O ATOM 0 H TYR A 100 8.404 -0.656 -10.190 1.00 0.00 H new ATOM 0 HA TYR A 100 10.502 -2.121 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.493 -2.046 -8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.545 -3.028 -7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.906 -1.168 -7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.722 -0.403 -7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.353 0.768 -5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.168 1.537 -5.648 1.00 0.00 H new ATOM 0 HH TYR A 100 9.055 3.136 -5.232 1.00 0.00 H new ATOM 1551 N HIS A 101 8.457 -3.808 -10.933 1.00 0.00 N ATOM 1552 CA HIS A 101 8.252 -5.090 -11.597 1.00 0.00 C ATOM 1553 C HIS A 101 9.587 -5.772 -11.885 1.00 0.00 C ATOM 1554 O HIS A 101 9.665 -6.998 -11.970 1.00 0.00 O ATOM 1555 CB HIS A 101 7.475 -4.895 -12.899 1.00 0.00 C ATOM 1556 CG HIS A 101 5.988 -4.961 -12.724 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.130 -5.363 -13.725 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.209 -4.673 -11.655 1.00 0.00 C ATOM 1559 CE1 HIS A 101 3.887 -5.319 -13.280 1.00 0.00 C ATOM 1560 NE2 HIS A 101 3.908 -4.904 -12.026 1.00 0.00 N ATOM 0 H HIS A 101 7.841 -3.062 -11.257 1.00 0.00 H new ATOM 0 HA HIS A 101 7.674 -5.729 -10.930 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.740 -3.929 -13.329 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.783 -5.658 -13.614 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.548 -4.326 -10.690 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.004 -5.578 -13.845 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.090 -4.776 -11.430 1.00 0.00 H new ATOM 1569 N THR A 102 10.636 -4.969 -12.035 1.00 0.00 N ATOM 1570 CA THR A 102 11.966 -5.494 -12.316 1.00 0.00 C ATOM 1571 C THR A 102 12.905 -5.272 -11.136 1.00 0.00 C ATOM 1572 O THR A 102 13.860 -6.024 -10.939 1.00 0.00 O ATOM 1573 CB THR A 102 12.575 -4.841 -13.571 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.667 -3.424 -13.391 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.734 -5.147 -14.802 1.00 0.00 C ATOM 0 H THR A 102 10.590 -3.952 -11.966 1.00 0.00 H new ATOM 0 HA THR A 102 11.852 -6.564 -12.491 1.00 0.00 H new ATOM 0 HB THR A 102 13.573 -5.253 -13.720 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.101 -3.152 -12.639 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.183 -4.676 -15.676 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.690 -6.225 -14.954 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.725 -4.759 -14.659 1.00 0.00 H new ATOM 1583 N HIS A 103 12.627 -4.235 -10.352 1.00 0.00 N ATOM 1584 CA HIS A 103 13.447 -3.914 -9.189 1.00 0.00 C ATOM 1585 C HIS A 103 12.688 -4.192 -7.895 1.00 0.00 C ATOM 1586 O HIS A 103 11.751 -3.473 -7.547 1.00 0.00 O ATOM 1587 CB HIS A 103 13.883 -2.450 -9.234 1.00 0.00 C ATOM 1588 CG HIS A 103 15.161 -2.228 -9.982 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.144 -1.360 -9.554 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.616 -2.768 -11.137 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.147 -1.375 -10.414 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.851 -2.221 -11.384 1.00 0.00 N ATOM 0 H HIS A 103 11.840 -3.603 -10.501 1.00 0.00 H new ATOM 0 HA HIS A 103 14.332 -4.549 -9.214 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.093 -1.858 -9.697 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.000 -2.083 -8.214 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.103 -3.494 -11.750 1.00 0.00 H new ATOM 0 HE1 HIS A 103 18.054 -0.794 -10.337 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.444 -2.434 -12.186 1.00 0.00 H new ATOM 1601 N VAL A 104 13.097 -5.240 -7.187 1.00 0.00 N ATOM 1602 CA VAL A 104 12.456 -5.612 -5.932 1.00 0.00 C ATOM 1603 C VAL A 104 12.361 -4.419 -4.988 1.00 0.00 C ATOM 1604 O VAL A 104 13.191 -3.510 -5.033 1.00 0.00 O ATOM 1605 CB VAL A 104 13.218 -6.750 -5.228 1.00 0.00 C ATOM 1606 CG1 VAL A 104 12.470 -7.204 -3.983 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.438 -7.914 -6.182 1.00 0.00 C ATOM 0 H VAL A 104 13.870 -5.846 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 104 11.452 -5.956 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 104 14.193 -6.374 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.024 -8.009 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.370 -6.366 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.480 -7.563 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.978 -8.709 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.474 -8.292 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 104 14.020 -7.576 -7.040 1.00 0.00 H new ATOM 1617 N LEU A 105 11.344 -4.427 -4.133 1.00 0.00 N ATOM 1618 CA LEU A 105 11.140 -3.345 -3.176 1.00 0.00 C ATOM 1619 C LEU A 105 12.153 -3.427 -2.038 1.00 0.00 C ATOM 1620 O LEU A 105 12.692 -4.489 -1.729 1.00 0.00 O ATOM 1621 CB LEU A 105 9.718 -3.396 -2.613 1.00 0.00 C ATOM 1622 CG LEU A 105 8.613 -3.738 -3.613 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.340 -4.141 -2.885 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.349 -2.560 -4.540 1.00 0.00 C ATOM 0 H LEU A 105 10.648 -5.171 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 105 11.283 -2.399 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.693 -4.131 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.490 -2.428 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 105 8.945 -4.583 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.565 -4.381 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.537 -5.015 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.004 -3.317 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.560 -2.821 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.039 -1.696 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.259 -2.317 -5.088 1.00 0.00 H new ATOM 1636 N PRO A 106 12.416 -2.278 -1.397 1.00 0.00 N ATOM 1637 CA PRO A 106 13.363 -2.194 -0.281 1.00 0.00 C ATOM 1638 C PRO A 106 12.844 -2.889 0.973 1.00 0.00 C ATOM 1639 O PRO A 106 11.638 -3.068 1.141 1.00 0.00 O ATOM 1640 CB PRO A 106 13.496 -0.688 -0.042 1.00 0.00 C ATOM 1641 CG PRO A 106 12.222 -0.109 -0.553 1.00 0.00 C ATOM 1642 CD PRO A 106 11.810 -0.974 -1.712 1.00 0.00 C ATOM 0 HA PRO A 106 14.307 -2.688 -0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.635 -0.466 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.357 -0.278 -0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.456 -0.105 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.362 0.925 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.725 -1.045 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.177 -0.579 -2.659 1.00 0.00 H new ATOM 1650 N SER A 107 13.763 -3.277 1.852 1.00 0.00 N ATOM 1651 CA SER A 107 13.398 -3.956 3.090 1.00 0.00 C ATOM 1652 C SER A 107 13.001 -5.404 2.819 1.00 0.00 C ATOM 1653 O SER A 107 12.250 -6.008 3.586 1.00 0.00 O ATOM 1654 CB SER A 107 12.247 -3.220 3.779 1.00 0.00 C ATOM 1655 OG SER A 107 12.450 -1.818 3.754 1.00 0.00 O ATOM 0 H SER A 107 14.765 -3.133 1.730 1.00 0.00 H new ATOM 0 HA SER A 107 14.267 -3.953 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.307 -3.463 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.160 -3.560 4.811 1.00 0.00 H new ATOM 0 HG SER A 107 11.700 -1.371 4.199 1.00 0.00 H new ATOM 1661 N HIS A 108 13.511 -5.956 1.722 1.00 0.00 N ATOM 1662 CA HIS A 108 13.211 -7.333 1.349 1.00 0.00 C ATOM 1663 C HIS A 108 14.234 -7.860 0.348 1.00 0.00 C ATOM 1664 O HIS A 108 15.200 -7.174 0.016 1.00 0.00 O ATOM 1665 CB HIS A 108 11.804 -7.429 0.757 1.00 0.00 C ATOM 1666 CG HIS A 108 11.073 -8.676 1.147 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.094 -9.829 0.390 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.299 -8.949 2.223 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.362 -10.755 0.982 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.869 -10.247 2.097 1.00 0.00 N ATOM 0 H HIS A 108 14.134 -5.470 1.076 1.00 0.00 H new ATOM 0 HA HIS A 108 13.261 -7.946 2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.224 -6.563 1.077 1.00 0.00 H new ATOM 0 HB3 HIS A 108 11.872 -7.383 -0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.063 -8.272 3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.195 -11.757 0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.267 -10.739 2.757 1.00 0.00 H new ATOM 1679 N GLN A 109 14.015 -9.082 -0.127 1.00 0.00 N ATOM 1680 CA GLN A 109 14.920 -9.700 -1.089 1.00 0.00 C ATOM 1681 C GLN A 109 14.149 -10.262 -2.279 1.00 0.00 C ATOM 1682 O GLN A 109 14.530 -10.056 -3.431 1.00 0.00 O ATOM 1683 CB GLN A 109 15.728 -10.813 -0.418 1.00 0.00 C ATOM 1684 CG GLN A 109 14.866 -11.859 0.271 1.00 0.00 C ATOM 1685 CD GLN A 109 15.668 -12.765 1.184 1.00 0.00 C ATOM 1686 OE1 GLN A 109 16.609 -12.325 1.845 1.00 0.00 O ATOM 1687 NE2 GLN A 109 15.299 -14.040 1.227 1.00 0.00 N ATOM 0 H GLN A 109 13.220 -9.663 0.138 1.00 0.00 H new ATOM 0 HA GLN A 109 15.603 -8.932 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.349 -11.303 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.403 -10.370 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.090 -11.360 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.362 -12.463 -0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.513 -14.363 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.802 -14.696 1.824 1.00 0.00 H new ATOM 1696 N SER A 110 13.062 -10.972 -1.992 1.00 0.00 N ATOM 1697 CA SER A 110 12.240 -11.567 -3.039 1.00 0.00 C ATOM 1698 C SER A 110 10.793 -11.096 -2.925 1.00 0.00 C ATOM 1699 O SER A 110 9.864 -11.905 -2.914 1.00 0.00 O ATOM 1700 CB SER A 110 12.299 -13.093 -2.958 1.00 0.00 C ATOM 1701 OG SER A 110 13.603 -13.568 -3.244 1.00 0.00 O ATOM 0 H SER A 110 12.731 -11.149 -1.044 1.00 0.00 H new ATOM 0 HA SER A 110 12.634 -11.246 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.000 -13.419 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 110 11.588 -13.526 -3.662 1.00 0.00 H new ATOM 0 HG SER A 110 13.615 -14.546 -3.184 1.00 0.00 H new ATOM 1707 N LEU A 111 10.609 -9.783 -2.841 1.00 0.00 N ATOM 1708 CA LEU A 111 9.276 -9.203 -2.728 1.00 0.00 C ATOM 1709 C LEU A 111 9.028 -8.188 -3.840 1.00 0.00 C ATOM 1710 O LEU A 111 9.291 -6.995 -3.676 1.00 0.00 O ATOM 1711 CB LEU A 111 9.103 -8.534 -1.363 1.00 0.00 C ATOM 1712 CG LEU A 111 7.819 -7.726 -1.170 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.597 -8.594 -1.429 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.768 -7.134 0.231 1.00 0.00 C ATOM 0 H LEU A 111 11.367 -9.100 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 111 8.547 -10.007 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.142 -9.306 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.953 -7.873 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 111 7.816 -6.907 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.693 -8.002 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.628 -8.969 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.593 -9.434 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.848 -6.562 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.794 -7.938 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.625 -6.477 0.380 1.00 0.00 H new ATOM 1726 N LEU A 112 8.519 -8.667 -4.969 1.00 0.00 N ATOM 1727 CA LEU A 112 8.233 -7.801 -6.108 1.00 0.00 C ATOM 1728 C LEU A 112 6.730 -7.605 -6.279 1.00 0.00 C ATOM 1729 O LEU A 112 5.932 -8.138 -5.507 1.00 0.00 O ATOM 1730 CB LEU A 112 8.831 -8.392 -7.386 1.00 0.00 C ATOM 1731 CG LEU A 112 10.351 -8.300 -7.521 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.893 -9.499 -8.284 1.00 0.00 C ATOM 1733 CD2 LEU A 112 10.747 -7.003 -8.212 1.00 0.00 C ATOM 0 H LEU A 112 8.296 -9.651 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 112 8.688 -6.829 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.544 -9.442 -7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.379 -7.889 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 112 10.786 -8.304 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.976 -9.416 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.641 -10.415 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.451 -9.527 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.832 -6.954 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.301 -6.969 -9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.392 -6.155 -7.626 1.00 0.00 H new ATOM 1745 N LEU A 113 6.351 -6.840 -7.297 1.00 0.00 N ATOM 1746 CA LEU A 113 4.943 -6.576 -7.571 1.00 0.00 C ATOM 1747 C LEU A 113 4.458 -7.392 -8.765 1.00 0.00 C ATOM 1748 O LEU A 113 4.720 -7.044 -9.916 1.00 0.00 O ATOM 1749 CB LEU A 113 4.726 -5.085 -7.837 1.00 0.00 C ATOM 1750 CG LEU A 113 5.344 -4.125 -6.820 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.975 -2.687 -7.150 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.897 -4.482 -5.410 1.00 0.00 C ATOM 0 H LEU A 113 6.998 -6.392 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 113 4.366 -6.871 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.130 -4.849 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.653 -4.896 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 113 6.429 -4.221 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.424 -2.018 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.345 -2.435 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.891 -2.575 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.346 -3.788 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.811 -4.415 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.213 -5.498 -5.174 1.00 0.00 H new ATOM 1764 N ARG A 114 3.748 -8.480 -8.482 1.00 0.00 N ATOM 1765 CA ARG A 114 3.225 -9.345 -9.532 1.00 0.00 C ATOM 1766 C ARG A 114 1.790 -8.965 -9.886 1.00 0.00 C ATOM 1767 O ARG A 114 1.503 -8.568 -11.016 1.00 0.00 O ATOM 1768 CB ARG A 114 3.283 -10.809 -9.091 1.00 0.00 C ATOM 1769 CG ARG A 114 4.692 -11.376 -9.042 1.00 0.00 C ATOM 1770 CD ARG A 114 4.820 -12.461 -7.984 1.00 0.00 C ATOM 1771 NE ARG A 114 3.850 -13.535 -8.181 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.050 -14.565 -8.996 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.179 -14.661 -9.684 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.120 -15.503 -9.122 1.00 0.00 N ATOM 0 H ARG A 114 3.522 -8.783 -7.535 1.00 0.00 H new ATOM 0 HA ARG A 114 3.845 -9.214 -10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.829 -10.900 -8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.683 -11.409 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.955 -11.785 -10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.400 -10.575 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.828 -12.874 -8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.679 -12.022 -6.996 1.00 0.00 H new ATOM 0 HE ARG A 114 2.971 -13.492 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.897 -13.943 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.330 -15.453 -10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.251 -15.434 -8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.274 -16.293 -9.748 1.00 0.00 H new ATOM 1788 N HIS A 115 0.893 -9.091 -8.914 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.512 -8.761 -9.123 1.00 0.00 C ATOM 1790 C HIS A 115 -1.030 -7.860 -8.006 1.00 0.00 C ATOM 1791 O HIS A 115 -0.731 -8.056 -6.828 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.352 -10.036 -9.196 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.626 -11.198 -9.800 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.608 -11.453 -11.155 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.113 -12.176 -9.225 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.109 -12.538 -11.387 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.558 -12.996 -10.233 1.00 0.00 N ATOM 0 H HIS A 115 1.114 -9.419 -7.974 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.597 -8.225 -10.068 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.678 -10.304 -8.191 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.251 -9.836 -9.780 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.315 -12.290 -8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.296 -12.976 -12.356 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.141 -13.824 -10.110 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.825 -6.847 -8.382 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.402 -5.896 -7.427 1.00 0.00 C ATOM 1808 C PRO A 116 -3.468 -6.534 -6.544 1.00 0.00 C ATOM 1809 O PRO A 116 -3.790 -7.713 -6.698 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.023 -4.824 -8.326 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.308 -5.524 -9.610 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.224 -6.554 -9.769 1.00 0.00 C ATOM 0 HA PRO A 116 -1.654 -5.510 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.934 -4.418 -7.886 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.340 -3.988 -8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.292 -5.993 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.306 -4.824 -10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.589 -7.446 -10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.389 -6.171 -10.355 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.013 -5.750 -5.621 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.042 -6.240 -4.712 1.00 0.00 C ATOM 1822 C TYR A 117 -6.436 -5.970 -5.271 1.00 0.00 C ATOM 1823 O TYR A 117 -6.647 -5.006 -6.005 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.895 -5.582 -3.339 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.128 -5.705 -2.474 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.619 -6.951 -2.103 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.802 -4.576 -2.025 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.746 -7.068 -1.313 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.929 -4.684 -1.233 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.397 -5.932 -0.880 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.519 -6.045 -0.091 1.00 0.00 O ATOM 0 H TYR A 117 -3.759 -4.772 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.915 -7.317 -4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.050 -6.032 -2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.660 -4.526 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.111 -7.843 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.439 -3.597 -2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.116 -8.044 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.440 -3.796 -0.892 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.990 -6.876 -0.309 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.385 -6.831 -4.917 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.747 -6.670 -5.391 1.00 0.00 C ATOM 1843 C GLY A 118 -8.928 -7.160 -6.814 1.00 0.00 C ATOM 1844 O GLY A 118 -9.905 -7.842 -7.124 1.00 0.00 O ATOM 0 H GLY A 118 -7.235 -7.637 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.424 -7.215 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.026 -5.618 -5.334 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.986 -6.810 -7.683 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.047 -7.215 -9.082 1.00 0.00 C ATOM 1850 C TYR A 119 -8.188 -8.729 -9.205 1.00 0.00 C ATOM 1851 O TYR A 119 -7.678 -9.483 -8.375 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.796 -6.746 -9.826 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.839 -7.015 -11.313 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -6.520 -8.268 -11.822 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -7.199 -6.016 -12.209 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -6.558 -8.518 -13.181 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -7.241 -6.257 -13.569 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.919 -7.510 -14.050 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.958 -7.754 -15.403 1.00 0.00 O ATOM 0 H TYR A 119 -7.171 -6.246 -7.443 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.924 -6.749 -9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.666 -5.676 -9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.923 -7.242 -9.401 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.238 -9.060 -11.144 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.450 -5.034 -11.836 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.306 -9.497 -13.560 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.524 -5.469 -14.252 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.452 -7.036 -15.851 1.00 0.00 H new ATOM 1869 N THR A 120 -8.885 -9.169 -10.248 1.00 0.00 N ATOM 1870 CA THR A 120 -9.095 -10.593 -10.481 1.00 0.00 C ATOM 1871 C THR A 120 -8.307 -11.073 -11.695 1.00 0.00 C ATOM 1872 O THR A 120 -8.596 -10.686 -12.827 1.00 0.00 O ATOM 1873 CB THR A 120 -10.587 -10.913 -10.692 1.00 0.00 C ATOM 1874 OG1 THR A 120 -10.764 -12.322 -10.877 1.00 0.00 O ATOM 1875 CG2 THR A 120 -11.136 -10.166 -11.899 1.00 0.00 C ATOM 0 H THR A 120 -9.314 -8.560 -10.945 1.00 0.00 H new ATOM 0 HA THR A 120 -8.741 -11.115 -9.592 1.00 0.00 H new ATOM 0 HB THR A 120 -11.134 -10.591 -9.806 1.00 0.00 H new ATOM 0 HG1 THR A 120 -11.715 -12.518 -11.009 1.00 0.00 H new ATOM 0 HG21 THR A 120 -12.191 -10.408 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 120 -11.026 -9.093 -11.743 1.00 0.00 H new ATOM 0 HG23 THR A 120 -10.584 -10.462 -12.792 1.00 0.00 H new ATOM 1883 N SER A 121 -7.311 -11.919 -11.451 1.00 0.00 N ATOM 1884 CA SER A 121 -6.479 -12.450 -12.524 1.00 0.00 C ATOM 1885 C SER A 121 -6.606 -13.968 -12.609 1.00 0.00 C ATOM 1886 O SER A 121 -5.931 -14.700 -11.887 1.00 0.00 O ATOM 1887 CB SER A 121 -5.016 -12.060 -12.304 1.00 0.00 C ATOM 1888 OG SER A 121 -4.297 -12.070 -13.525 1.00 0.00 O ATOM 0 H SER A 121 -7.061 -12.251 -10.520 1.00 0.00 H new ATOM 0 HA SER A 121 -6.824 -12.021 -13.465 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.964 -11.068 -11.856 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.554 -12.752 -11.600 1.00 0.00 H new ATOM 0 HG SER A 121 -3.365 -11.816 -13.358 1.00 0.00 H new ATOM 1894 N GLY A 122 -7.477 -14.434 -13.499 1.00 0.00 N ATOM 1895 CA GLY A 122 -7.678 -15.862 -13.663 1.00 0.00 C ATOM 1896 C GLY A 122 -9.047 -16.194 -14.221 1.00 0.00 C ATOM 1897 O GLY A 122 -9.869 -15.313 -14.473 1.00 0.00 O ATOM 0 H GLY A 122 -8.047 -13.848 -14.109 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -6.912 -16.260 -14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -7.552 -16.357 -12.700 1.00 0.00 H new ATOM 1901 N PRO A 123 -9.308 -17.494 -14.424 1.00 0.00 N ATOM 1902 CA PRO A 123 -10.586 -17.971 -14.960 1.00 0.00 C ATOM 1903 C PRO A 123 -11.732 -17.796 -13.968 1.00 0.00 C ATOM 1904 O PRO A 123 -11.582 -18.071 -12.778 1.00 0.00 O ATOM 1905 CB PRO A 123 -10.329 -19.457 -15.222 1.00 0.00 C ATOM 1906 CG PRO A 123 -9.236 -19.824 -14.279 1.00 0.00 C ATOM 1907 CD PRO A 123 -8.375 -18.599 -14.146 1.00 0.00 C ATOM 0 HA PRO A 123 -10.889 -17.414 -15.847 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.224 -20.052 -15.041 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -10.034 -19.631 -16.257 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -9.639 -20.124 -13.312 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -8.659 -20.667 -14.659 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -7.942 -18.518 -13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -7.546 -18.612 -14.853 1.00 0.00 H new ATOM 1915 N SER A 124 -12.875 -17.336 -14.467 1.00 0.00 N ATOM 1916 CA SER A 124 -14.045 -17.121 -13.624 1.00 0.00 C ATOM 1917 C SER A 124 -14.675 -18.450 -13.220 1.00 0.00 C ATOM 1918 O SER A 124 -14.758 -18.776 -12.036 1.00 0.00 O ATOM 1919 CB SER A 124 -15.074 -16.256 -14.354 1.00 0.00 C ATOM 1920 OG SER A 124 -14.783 -14.878 -14.202 1.00 0.00 O ATOM 0 H SER A 124 -13.016 -17.105 -15.451 1.00 0.00 H new ATOM 0 HA SER A 124 -13.721 -16.603 -12.721 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.084 -16.514 -15.413 1.00 0.00 H new ATOM 0 HB3 SER A 124 -16.071 -16.465 -13.965 1.00 0.00 H new ATOM 0 HG SER A 124 -15.454 -14.347 -14.679 1.00 0.00 H new ATOM 1926 N SER A 125 -15.119 -19.214 -14.213 1.00 0.00 N ATOM 1927 CA SER A 125 -15.746 -20.506 -13.963 1.00 0.00 C ATOM 1928 C SER A 125 -15.114 -21.593 -14.827 1.00 0.00 C ATOM 1929 O SER A 125 -15.266 -21.598 -16.048 1.00 0.00 O ATOM 1930 CB SER A 125 -17.249 -20.430 -14.238 1.00 0.00 C ATOM 1931 OG SER A 125 -17.909 -19.656 -13.251 1.00 0.00 O ATOM 0 H SER A 125 -15.056 -18.960 -15.199 1.00 0.00 H new ATOM 0 HA SER A 125 -15.588 -20.761 -12.915 1.00 0.00 H new ATOM 0 HB2 SER A 125 -17.420 -19.993 -15.222 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.670 -21.435 -14.258 1.00 0.00 H new ATOM 0 HG SER A 125 -18.868 -19.621 -13.450 1.00 0.00 H new ATOM 1937 N GLY A 126 -14.403 -22.514 -14.183 1.00 0.00 N ATOM 1938 CA GLY A 126 -13.758 -23.594 -14.907 1.00 0.00 C ATOM 1939 C GLY A 126 -13.267 -24.696 -13.989 1.00 0.00 C ATOM 1940 O GLY A 126 -12.563 -25.607 -14.423 1.00 0.00 O ATOM 0 H GLY A 126 -14.262 -22.531 -13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -14.459 -24.012 -15.629 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -12.916 -23.196 -15.474 1.00 0.00 H new TER 1944 GLY A 126