USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 490 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 19 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 MET CE :methyl -163:sc= -2.52 (180deg=-4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -54:sc= 0.058 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= -0.0122 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -4.32! C(o=-4.3!,f=-10!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.34 K(o=-3.3,f=-13!) USER MOD Single : A 27 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00859) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0244 (180deg=-0.276) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.111) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.89 F(o=-3.1!,f=-1.9) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.977 -12.635 8.892 1.00 0.00 N ATOM 2 CA GLY A 1 24.498 -11.377 8.352 1.00 0.00 C ATOM 3 C GLY A 1 24.832 -11.212 6.883 1.00 0.00 C ATOM 4 O GLY A 1 24.281 -11.913 6.032 1.00 0.00 O ATOM 0 H1 GLY A 1 24.724 -12.700 9.899 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.540 -13.424 8.374 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.011 -12.685 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.418 -11.316 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.936 -10.553 8.916 1.00 0.00 H new ATOM 8 N SER A 2 25.733 -10.283 6.582 1.00 0.00 N ATOM 9 CA SER A 2 26.135 -10.026 5.204 1.00 0.00 C ATOM 10 C SER A 2 24.937 -9.602 4.359 1.00 0.00 C ATOM 11 O SER A 2 24.789 -10.027 3.213 1.00 0.00 O ATOM 12 CB SER A 2 26.785 -11.272 4.599 1.00 0.00 C ATOM 13 OG SER A 2 27.545 -10.943 3.448 1.00 0.00 O ATOM 0 H SER A 2 26.199 -9.696 7.274 1.00 0.00 H new ATOM 0 HA SER A 2 26.861 -9.213 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.428 -11.747 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.014 -11.996 4.335 1.00 0.00 H new ATOM 0 HG SER A 2 26.980 -10.457 2.811 1.00 0.00 H new ATOM 19 N SER A 3 24.084 -8.759 4.934 1.00 0.00 N ATOM 20 CA SER A 3 22.897 -8.281 4.236 1.00 0.00 C ATOM 21 C SER A 3 23.053 -6.815 3.843 1.00 0.00 C ATOM 22 O SER A 3 23.832 -6.078 4.446 1.00 0.00 O ATOM 23 CB SER A 3 21.657 -8.455 5.116 1.00 0.00 C ATOM 24 OG SER A 3 21.217 -9.802 5.115 1.00 0.00 O ATOM 0 H SER A 3 24.193 -8.394 5.880 1.00 0.00 H new ATOM 0 HA SER A 3 22.776 -8.873 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.884 -8.144 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.858 -7.808 4.756 1.00 0.00 H new ATOM 0 HG SER A 3 20.425 -9.888 5.686 1.00 0.00 H new ATOM 30 N GLY A 4 22.304 -6.399 2.826 1.00 0.00 N ATOM 31 CA GLY A 4 22.373 -5.023 2.368 1.00 0.00 C ATOM 32 C GLY A 4 21.291 -4.692 1.360 1.00 0.00 C ATOM 33 O GLY A 4 20.436 -5.525 1.060 1.00 0.00 O ATOM 0 H GLY A 4 21.651 -6.990 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.285 -4.354 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.350 -4.841 1.920 1.00 0.00 H new ATOM 37 N SER A 5 21.325 -3.471 0.836 1.00 0.00 N ATOM 38 CA SER A 5 20.336 -3.030 -0.140 1.00 0.00 C ATOM 39 C SER A 5 20.946 -2.030 -1.117 1.00 0.00 C ATOM 40 O SER A 5 21.896 -1.321 -0.787 1.00 0.00 O ATOM 41 CB SER A 5 19.135 -2.401 0.569 1.00 0.00 C ATOM 42 OG SER A 5 19.436 -1.091 1.015 1.00 0.00 O ATOM 0 H SER A 5 22.027 -2.769 1.071 1.00 0.00 H new ATOM 0 HA SER A 5 20.001 -3.902 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.283 -2.371 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.845 -3.020 1.418 1.00 0.00 H new ATOM 0 HG SER A 5 18.652 -0.710 1.463 1.00 0.00 H new ATOM 48 N SER A 6 20.391 -1.977 -2.325 1.00 0.00 N ATOM 49 CA SER A 6 20.882 -1.068 -3.353 1.00 0.00 C ATOM 50 C SER A 6 20.569 0.381 -2.991 1.00 0.00 C ATOM 51 O SER A 6 21.426 1.259 -3.100 1.00 0.00 O ATOM 52 CB SER A 6 20.260 -1.412 -4.707 1.00 0.00 C ATOM 53 OG SER A 6 18.845 -1.346 -4.651 1.00 0.00 O ATOM 0 H SER A 6 19.601 -2.554 -2.615 1.00 0.00 H new ATOM 0 HA SER A 6 21.964 -1.183 -3.418 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.629 -0.722 -5.466 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.569 -2.413 -5.009 1.00 0.00 H new ATOM 0 HG SER A 6 18.472 -1.568 -5.530 1.00 0.00 H new ATOM 59 N GLY A 7 19.336 0.623 -2.556 1.00 0.00 N ATOM 60 CA GLY A 7 18.931 1.966 -2.184 1.00 0.00 C ATOM 61 C GLY A 7 17.539 2.310 -2.676 1.00 0.00 C ATOM 62 O GLY A 7 16.554 2.097 -1.971 1.00 0.00 O ATOM 0 H GLY A 7 18.611 -0.087 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.964 2.064 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.644 2.683 -2.591 1.00 0.00 H new ATOM 66 N GLN A 8 17.459 2.845 -3.891 1.00 0.00 N ATOM 67 CA GLN A 8 16.177 3.220 -4.476 1.00 0.00 C ATOM 68 C GLN A 8 15.132 2.133 -4.243 1.00 0.00 C ATOM 69 O GLN A 8 15.453 0.954 -4.092 1.00 0.00 O ATOM 70 CB GLN A 8 16.333 3.482 -5.975 1.00 0.00 C ATOM 71 CG GLN A 8 17.066 4.774 -6.295 1.00 0.00 C ATOM 72 CD GLN A 8 17.583 4.816 -7.719 1.00 0.00 C ATOM 73 OE1 GLN A 8 17.001 5.473 -8.582 1.00 0.00 O ATOM 74 NE2 GLN A 8 18.679 4.113 -7.972 1.00 0.00 N ATOM 0 H GLN A 8 18.266 3.028 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 8 15.838 4.134 -3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.870 2.648 -6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.345 3.511 -6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.395 5.618 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.902 4.893 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.128 3.583 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.072 4.103 -8.913 1.00 0.00 H new ATOM 83 N PRO A 9 13.854 2.537 -4.214 1.00 0.00 N ATOM 84 CA PRO A 9 12.736 1.612 -4.000 1.00 0.00 C ATOM 85 C PRO A 9 12.518 0.682 -5.189 1.00 0.00 C ATOM 86 O PRO A 9 12.770 1.038 -6.341 1.00 0.00 O ATOM 87 CB PRO A 9 11.534 2.544 -3.822 1.00 0.00 C ATOM 88 CG PRO A 9 11.911 3.790 -4.545 1.00 0.00 C ATOM 89 CD PRO A 9 13.400 3.927 -4.387 1.00 0.00 C ATOM 0 HA PRO A 9 12.910 0.951 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.627 2.104 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.339 2.741 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.634 3.729 -5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.393 4.654 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.856 4.393 -5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.658 4.544 -3.526 1.00 0.00 H new ATOM 97 N PRO A 10 12.039 -0.538 -4.906 1.00 0.00 N ATOM 98 CA PRO A 10 11.776 -1.543 -5.940 1.00 0.00 C ATOM 99 C PRO A 10 10.586 -1.173 -6.819 1.00 0.00 C ATOM 100 O PRO A 10 9.966 -0.125 -6.633 1.00 0.00 O ATOM 101 CB PRO A 10 11.471 -2.809 -5.133 1.00 0.00 C ATOM 102 CG PRO A 10 10.976 -2.312 -3.821 1.00 0.00 C ATOM 103 CD PRO A 10 11.718 -1.030 -3.556 1.00 0.00 C ATOM 0 HA PRO A 10 12.615 -1.650 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.722 -3.425 -5.631 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.362 -3.426 -5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.900 -2.141 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.162 -3.041 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.105 -0.318 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.618 -1.201 -2.966 1.00 0.00 H new ATOM 111 N LEU A 11 10.272 -2.039 -7.777 1.00 0.00 N ATOM 112 CA LEU A 11 9.156 -1.802 -8.686 1.00 0.00 C ATOM 113 C LEU A 11 7.951 -1.244 -7.934 1.00 0.00 C ATOM 114 O LEU A 11 7.223 -1.981 -7.269 1.00 0.00 O ATOM 115 CB LEU A 11 8.770 -3.099 -9.398 1.00 0.00 C ATOM 116 CG LEU A 11 8.878 -4.379 -8.569 1.00 0.00 C ATOM 117 CD1 LEU A 11 7.851 -5.403 -9.030 1.00 0.00 C ATOM 118 CD2 LEU A 11 10.284 -4.955 -8.658 1.00 0.00 C ATOM 0 H LEU A 11 10.774 -2.911 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 11 9.472 -1.067 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.743 -3.004 -9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.401 -3.207 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 11 8.673 -4.132 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.943 -6.307 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.849 -4.991 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.024 -5.646 -10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.343 -5.866 -8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.517 -5.186 -9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.000 -4.226 -8.279 1.00 0.00 H new ATOM 130 N LYS A 12 7.745 0.064 -8.048 1.00 0.00 N ATOM 131 CA LYS A 12 6.626 0.723 -7.383 1.00 0.00 C ATOM 132 C LYS A 12 5.302 0.072 -7.771 1.00 0.00 C ATOM 133 O LYS A 12 4.331 0.124 -7.019 1.00 0.00 O ATOM 134 CB LYS A 12 6.599 2.210 -7.740 1.00 0.00 C ATOM 135 CG LYS A 12 6.534 2.476 -9.234 1.00 0.00 C ATOM 136 CD LYS A 12 6.064 3.891 -9.530 1.00 0.00 C ATOM 137 CE LYS A 12 7.220 4.879 -9.506 1.00 0.00 C ATOM 138 NZ LYS A 12 6.749 6.286 -9.627 1.00 0.00 N ATOM 0 H LYS A 12 8.338 0.689 -8.594 1.00 0.00 H new ATOM 0 HA LYS A 12 6.761 0.616 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.738 2.675 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.489 2.689 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.518 2.319 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.857 1.762 -9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.581 3.918 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.315 4.188 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.779 4.762 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.907 4.654 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.566 6.929 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.237 6.405 -10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.114 6.509 -8.834 1.00 0.00 H new ATOM 152 N ASN A 13 5.274 -0.545 -8.948 1.00 0.00 N ATOM 153 CA ASN A 13 4.070 -1.208 -9.435 1.00 0.00 C ATOM 154 C ASN A 13 3.613 -2.290 -8.461 1.00 0.00 C ATOM 155 O ASN A 13 2.432 -2.634 -8.408 1.00 0.00 O ATOM 156 CB ASN A 13 4.321 -1.819 -10.815 1.00 0.00 C ATOM 157 CG ASN A 13 5.581 -2.662 -10.852 1.00 0.00 C ATOM 158 OD1 ASN A 13 5.666 -3.701 -10.197 1.00 0.00 O ATOM 159 ND2 ASN A 13 6.567 -2.217 -11.621 1.00 0.00 N ATOM 0 H ASN A 13 6.071 -0.600 -9.582 1.00 0.00 H new ATOM 0 HA ASN A 13 3.281 -0.460 -9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.467 -2.434 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.398 -1.022 -11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.439 -2.742 -11.686 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.452 -1.350 -12.147 1.00 0.00 H new ATOM 166 N LEU A 14 4.557 -2.823 -7.693 1.00 0.00 N ATOM 167 CA LEU A 14 4.254 -3.866 -6.720 1.00 0.00 C ATOM 168 C LEU A 14 3.050 -3.481 -5.866 1.00 0.00 C ATOM 169 O LEU A 14 2.070 -4.224 -5.786 1.00 0.00 O ATOM 170 CB LEU A 14 5.467 -4.125 -5.824 1.00 0.00 C ATOM 171 CG LEU A 14 5.199 -4.914 -4.543 1.00 0.00 C ATOM 172 CD1 LEU A 14 5.344 -6.407 -4.795 1.00 0.00 C ATOM 173 CD2 LEU A 14 6.138 -4.465 -3.434 1.00 0.00 C ATOM 0 H LEU A 14 5.539 -2.550 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 14 4.013 -4.778 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.216 -4.661 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.903 -3.164 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 14 4.175 -4.718 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.150 -6.952 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.630 -6.718 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.357 -6.622 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.933 -5.038 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.170 -4.631 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.985 -3.404 -3.235 1.00 0.00 H new ATOM 185 N LEU A 15 3.129 -2.316 -5.233 1.00 0.00 N ATOM 186 CA LEU A 15 2.045 -1.831 -4.387 1.00 0.00 C ATOM 187 C LEU A 15 0.811 -1.495 -5.220 1.00 0.00 C ATOM 188 O LEU A 15 -0.320 -1.718 -4.791 1.00 0.00 O ATOM 189 CB LEU A 15 2.496 -0.596 -3.604 1.00 0.00 C ATOM 190 CG LEU A 15 2.358 0.744 -4.326 1.00 0.00 C ATOM 191 CD1 LEU A 15 0.963 1.317 -4.127 1.00 0.00 C ATOM 192 CD2 LEU A 15 3.414 1.725 -3.837 1.00 0.00 C ATOM 0 H LEU A 15 3.932 -1.690 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 15 1.783 -2.624 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.922 -0.548 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.541 -0.729 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 15 2.511 0.577 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.884 2.271 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.224 0.623 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.780 1.469 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.300 2.673 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.293 1.886 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.406 1.319 -4.032 1.00 0.00 H new ATOM 204 N SER A 16 1.039 -0.960 -6.416 1.00 0.00 N ATOM 205 CA SER A 16 -0.053 -0.592 -7.309 1.00 0.00 C ATOM 206 C SER A 16 -1.064 -1.728 -7.428 1.00 0.00 C ATOM 207 O SER A 16 -2.252 -1.549 -7.157 1.00 0.00 O ATOM 208 CB SER A 16 0.491 -0.230 -8.692 1.00 0.00 C ATOM 209 OG SER A 16 -0.404 0.621 -9.387 1.00 0.00 O ATOM 0 H SER A 16 1.970 -0.772 -6.788 1.00 0.00 H new ATOM 0 HA SER A 16 -0.558 0.277 -6.887 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.458 0.262 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.656 -1.139 -9.270 1.00 0.00 H new ATOM 0 HG SER A 16 -0.032 0.839 -10.267 1.00 0.00 H new ATOM 215 N LEU A 17 -0.582 -2.898 -7.835 1.00 0.00 N ATOM 216 CA LEU A 17 -1.443 -4.067 -7.990 1.00 0.00 C ATOM 217 C LEU A 17 -2.350 -4.241 -6.777 1.00 0.00 C ATOM 218 O LEU A 17 -3.548 -4.493 -6.914 1.00 0.00 O ATOM 219 CB LEU A 17 -0.597 -5.324 -8.193 1.00 0.00 C ATOM 220 CG LEU A 17 -0.020 -5.527 -9.595 1.00 0.00 C ATOM 221 CD1 LEU A 17 1.294 -4.777 -9.746 1.00 0.00 C ATOM 222 CD2 LEU A 17 0.172 -7.009 -9.883 1.00 0.00 C ATOM 0 H LEU A 17 0.398 -3.063 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.069 -3.912 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.229 -5.300 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.207 -6.192 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.728 -5.125 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.689 -4.934 -10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.126 -3.712 -9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.010 -5.147 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.583 -7.135 -10.885 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.859 -7.436 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.789 -7.520 -9.819 1.00 0.00 H new ATOM 234 N LEU A 18 -1.772 -4.102 -5.589 1.00 0.00 N ATOM 235 CA LEU A 18 -2.529 -4.242 -4.349 1.00 0.00 C ATOM 236 C LEU A 18 -3.526 -3.097 -4.188 1.00 0.00 C ATOM 237 O LEU A 18 -4.731 -3.320 -4.080 1.00 0.00 O ATOM 238 CB LEU A 18 -1.581 -4.278 -3.150 1.00 0.00 C ATOM 239 CG LEU A 18 -1.021 -5.654 -2.780 1.00 0.00 C ATOM 240 CD1 LEU A 18 0.107 -5.517 -1.770 1.00 0.00 C ATOM 241 CD2 LEU A 18 -2.124 -6.547 -2.231 1.00 0.00 C ATOM 0 H LEU A 18 -0.782 -3.893 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.083 -5.180 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.744 -3.610 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.107 -3.876 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.620 -6.117 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.493 -6.505 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.907 -4.913 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.269 -5.034 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.709 -7.521 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.554 -6.088 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.900 -6.672 -2.986 1.00 0.00 H new ATOM 253 N LYS A 19 -3.014 -1.872 -4.173 1.00 0.00 N ATOM 254 CA LYS A 19 -3.857 -0.691 -4.028 1.00 0.00 C ATOM 255 C LYS A 19 -5.183 -0.878 -4.757 1.00 0.00 C ATOM 256 O LYS A 19 -6.237 -0.486 -4.260 1.00 0.00 O ATOM 257 CB LYS A 19 -3.135 0.545 -4.568 1.00 0.00 C ATOM 258 CG LYS A 19 -3.633 1.850 -3.969 1.00 0.00 C ATOM 259 CD LYS A 19 -2.904 3.047 -4.555 1.00 0.00 C ATOM 260 CE LYS A 19 -1.583 3.299 -3.844 1.00 0.00 C ATOM 261 NZ LYS A 19 -1.759 4.142 -2.628 1.00 0.00 N ATOM 0 H LYS A 19 -2.018 -1.670 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.063 -0.549 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.068 0.448 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.256 0.582 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.703 1.950 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.494 1.832 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.721 2.879 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.535 3.932 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.134 2.346 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.890 3.789 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.897 4.701 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.567 4.783 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.936 3.531 -1.805 1.00 0.00 H new ATOM 275 N ALA A 20 -5.122 -1.480 -5.942 1.00 0.00 N ATOM 276 CA ALA A 20 -6.319 -1.719 -6.738 1.00 0.00 C ATOM 277 C ALA A 20 -7.502 -2.095 -5.852 1.00 0.00 C ATOM 278 O ALA A 20 -8.546 -1.445 -5.885 1.00 0.00 O ATOM 279 CB ALA A 20 -6.060 -2.812 -7.765 1.00 0.00 C ATOM 0 H ALA A 20 -4.257 -1.810 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.568 -0.795 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.962 -2.980 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.249 -2.506 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.783 -3.734 -7.253 1.00 0.00 H new ATOM 285 N TYR A 21 -7.331 -3.149 -5.062 1.00 0.00 N ATOM 286 CA TYR A 21 -8.386 -3.613 -4.169 1.00 0.00 C ATOM 287 C TYR A 21 -8.834 -2.498 -3.229 1.00 0.00 C ATOM 288 O TYR A 21 -10.019 -2.174 -3.150 1.00 0.00 O ATOM 289 CB TYR A 21 -7.904 -4.816 -3.357 1.00 0.00 C ATOM 290 CG TYR A 21 -7.707 -6.066 -4.186 1.00 0.00 C ATOM 291 CD1 TYR A 21 -6.507 -6.304 -4.844 1.00 0.00 C ATOM 292 CD2 TYR A 21 -8.723 -7.006 -4.314 1.00 0.00 C ATOM 293 CE1 TYR A 21 -6.322 -7.444 -5.602 1.00 0.00 C ATOM 294 CE2 TYR A 21 -8.545 -8.149 -5.070 1.00 0.00 C ATOM 295 CZ TYR A 21 -7.345 -8.364 -5.711 1.00 0.00 C ATOM 296 OH TYR A 21 -7.166 -9.500 -6.467 1.00 0.00 O ATOM 0 H TYR A 21 -6.472 -3.698 -5.022 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.237 -3.913 -4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.963 -4.561 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.626 -5.024 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.705 -5.585 -4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.666 -6.840 -3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.382 -7.614 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.344 -8.871 -5.158 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.981 -10.043 -6.439 1.00 0.00 H new ATOM 306 N TYR A 22 -7.877 -1.915 -2.515 1.00 0.00 N ATOM 307 CA TYR A 22 -8.170 -0.838 -1.578 1.00 0.00 C ATOM 308 C TYR A 22 -9.260 0.080 -2.126 1.00 0.00 C ATOM 309 O TYR A 22 -10.139 0.524 -1.389 1.00 0.00 O ATOM 310 CB TYR A 22 -6.905 -0.028 -1.287 1.00 0.00 C ATOM 311 CG TYR A 22 -7.063 0.952 -0.146 1.00 0.00 C ATOM 312 CD1 TYR A 22 -7.527 2.242 -0.371 1.00 0.00 C ATOM 313 CD2 TYR A 22 -6.748 0.587 1.158 1.00 0.00 C ATOM 314 CE1 TYR A 22 -7.672 3.141 0.669 1.00 0.00 C ATOM 315 CE2 TYR A 22 -6.891 1.479 2.203 1.00 0.00 C ATOM 316 CZ TYR A 22 -7.353 2.754 1.953 1.00 0.00 C ATOM 317 OH TYR A 22 -7.496 3.646 2.992 1.00 0.00 O ATOM 0 H TYR A 22 -6.891 -2.171 -2.568 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.529 -1.285 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.090 -0.714 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.618 0.517 -2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.779 2.548 -1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.385 -0.411 1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.033 4.141 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.642 1.179 3.210 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.230 3.216 3.831 1.00 0.00 H new ATOM 327 N ALA A 23 -9.194 0.356 -3.424 1.00 0.00 N ATOM 328 CA ALA A 23 -10.174 1.218 -4.072 1.00 0.00 C ATOM 329 C ALA A 23 -11.584 0.915 -3.575 1.00 0.00 C ATOM 330 O ALA A 23 -12.255 1.786 -3.018 1.00 0.00 O ATOM 331 CB ALA A 23 -10.101 1.056 -5.584 1.00 0.00 C ATOM 0 H ALA A 23 -8.472 -0.005 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.939 2.251 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.838 1.706 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.104 1.327 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.308 0.019 -5.849 1.00 0.00 H new ATOM 337 N LEU A 24 -12.026 -0.320 -3.777 1.00 0.00 N ATOM 338 CA LEU A 24 -13.356 -0.736 -3.350 1.00 0.00 C ATOM 339 C LEU A 24 -13.329 -1.263 -1.918 1.00 0.00 C ATOM 340 O LEU A 24 -14.199 -0.941 -1.110 1.00 0.00 O ATOM 341 CB LEU A 24 -13.903 -1.812 -4.290 1.00 0.00 C ATOM 342 CG LEU A 24 -13.044 -3.067 -4.446 1.00 0.00 C ATOM 343 CD1 LEU A 24 -13.313 -4.043 -3.310 1.00 0.00 C ATOM 344 CD2 LEU A 24 -13.305 -3.727 -5.793 1.00 0.00 C ATOM 0 H LEU A 24 -11.482 -1.052 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.010 0.135 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.888 -2.112 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.044 -1.368 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.995 -2.774 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.693 -4.930 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.075 -3.568 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.364 -4.331 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.685 -4.619 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.356 -4.006 -5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.061 -3.029 -6.594 1.00 0.00 H new ATOM 356 N ASN A 25 -12.321 -2.072 -1.610 1.00 0.00 N ATOM 357 CA ASN A 25 -12.178 -2.643 -0.277 1.00 0.00 C ATOM 358 C ASN A 25 -10.906 -2.136 0.398 1.00 0.00 C ATOM 359 O ASN A 25 -9.856 -2.773 0.323 1.00 0.00 O ATOM 360 CB ASN A 25 -12.155 -4.171 -0.351 1.00 0.00 C ATOM 361 CG ASN A 25 -12.230 -4.818 1.018 1.00 0.00 C ATOM 362 OD1 ASN A 25 -11.718 -4.281 2.001 1.00 0.00 O ATOM 363 ND2 ASN A 25 -12.871 -5.980 1.089 1.00 0.00 N ATOM 0 H ASN A 25 -11.591 -2.347 -2.267 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.035 -2.329 0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.992 -4.515 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.243 -4.494 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.954 -6.463 1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.280 -6.389 0.249 1.00 0.00 H new ATOM 370 N ALA A 26 -11.011 -0.987 1.059 1.00 0.00 N ATOM 371 CA ALA A 26 -9.871 -0.397 1.748 1.00 0.00 C ATOM 372 C ALA A 26 -9.366 -1.313 2.856 1.00 0.00 C ATOM 373 O ALA A 26 -8.205 -1.726 2.852 1.00 0.00 O ATOM 374 CB ALA A 26 -10.246 0.964 2.317 1.00 0.00 C ATOM 0 H ALA A 26 -11.874 -0.447 1.131 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.067 -0.268 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.385 1.394 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.553 1.625 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.068 0.849 3.023 1.00 0.00 H new ATOM 380 N GLN A 27 -10.242 -1.627 3.804 1.00 0.00 N ATOM 381 CA GLN A 27 -9.882 -2.496 4.920 1.00 0.00 C ATOM 382 C GLN A 27 -10.574 -3.850 4.802 1.00 0.00 C ATOM 383 O GLN A 27 -11.598 -4.108 5.436 1.00 0.00 O ATOM 384 CB GLN A 27 -10.253 -1.834 6.249 1.00 0.00 C ATOM 385 CG GLN A 27 -11.695 -1.355 6.308 1.00 0.00 C ATOM 386 CD GLN A 27 -11.862 0.059 5.791 1.00 0.00 C ATOM 387 OE1 GLN A 27 -12.422 0.278 4.716 1.00 0.00 O ATOM 388 NE2 GLN A 27 -11.378 1.031 6.555 1.00 0.00 N ATOM 0 H GLN A 27 -11.206 -1.293 3.823 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.804 -2.656 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.081 -2.543 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.590 -0.986 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.322 -2.028 5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.049 -1.405 7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.921 0.806 7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.463 2.003 6.258 1.00 0.00 H new ATOM 397 N PRO A 28 -10.005 -4.735 3.971 1.00 0.00 N ATOM 398 CA PRO A 28 -10.550 -6.078 3.751 1.00 0.00 C ATOM 399 C PRO A 28 -10.392 -6.976 4.974 1.00 0.00 C ATOM 400 O PRO A 28 -9.697 -6.626 5.926 1.00 0.00 O ATOM 401 CB PRO A 28 -9.717 -6.613 2.584 1.00 0.00 C ATOM 402 CG PRO A 28 -8.433 -5.859 2.659 1.00 0.00 C ATOM 403 CD PRO A 28 -8.785 -4.494 3.184 1.00 0.00 C ATOM 0 HA PRO A 28 -11.621 -6.055 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.552 -7.687 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.219 -6.447 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.724 -6.360 3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.963 -5.791 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.985 -4.082 3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.962 -3.786 2.375 1.00 0.00 H new ATOM 411 N SER A 29 -11.043 -8.133 4.939 1.00 0.00 N ATOM 412 CA SER A 29 -10.978 -9.081 6.046 1.00 0.00 C ATOM 413 C SER A 29 -9.951 -10.173 5.767 1.00 0.00 C ATOM 414 O SER A 29 -9.239 -10.131 4.763 1.00 0.00 O ATOM 415 CB SER A 29 -12.352 -9.707 6.291 1.00 0.00 C ATOM 416 OG SER A 29 -12.873 -10.273 5.101 1.00 0.00 O ATOM 0 H SER A 29 -11.622 -8.438 4.156 1.00 0.00 H new ATOM 0 HA SER A 29 -10.670 -8.537 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.273 -10.476 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.039 -8.949 6.668 1.00 0.00 H new ATOM 0 HG SER A 29 -13.751 -10.668 5.284 1.00 0.00 H new ATOM 422 N ALA A 30 -9.878 -11.152 6.663 1.00 0.00 N ATOM 423 CA ALA A 30 -8.939 -12.256 6.514 1.00 0.00 C ATOM 424 C ALA A 30 -9.331 -13.154 5.344 1.00 0.00 C ATOM 425 O ALA A 30 -8.526 -13.400 4.445 1.00 0.00 O ATOM 426 CB ALA A 30 -8.867 -13.065 7.799 1.00 0.00 C ATOM 0 H ALA A 30 -10.459 -11.203 7.500 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.954 -11.838 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.162 -13.886 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.534 -12.423 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.853 -13.466 8.032 1.00 0.00 H new ATOM 432 N GLU A 31 -10.568 -13.639 5.364 1.00 0.00 N ATOM 433 CA GLU A 31 -11.063 -14.511 4.304 1.00 0.00 C ATOM 434 C GLU A 31 -10.818 -13.891 2.931 1.00 0.00 C ATOM 435 O GLU A 31 -10.619 -14.599 1.946 1.00 0.00 O ATOM 436 CB GLU A 31 -12.556 -14.783 4.492 1.00 0.00 C ATOM 437 CG GLU A 31 -12.878 -15.550 5.766 1.00 0.00 C ATOM 438 CD GLU A 31 -14.321 -16.013 5.819 1.00 0.00 C ATOM 439 OE1 GLU A 31 -14.715 -16.824 4.955 1.00 0.00 O ATOM 440 OE2 GLU A 31 -15.056 -15.563 6.723 1.00 0.00 O ATOM 0 H GLU A 31 -11.245 -13.444 6.101 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.519 -15.454 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.091 -13.834 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.925 -15.346 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.220 -16.415 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.672 -14.917 6.629 1.00 0.00 H new ATOM 447 N GLU A 32 -10.835 -12.562 2.877 1.00 0.00 N ATOM 448 CA GLU A 32 -10.618 -11.846 1.625 1.00 0.00 C ATOM 449 C GLU A 32 -9.130 -11.587 1.398 1.00 0.00 C ATOM 450 O GLU A 32 -8.641 -11.661 0.270 1.00 0.00 O ATOM 451 CB GLU A 32 -11.383 -10.523 1.628 1.00 0.00 C ATOM 452 CG GLU A 32 -12.893 -10.691 1.604 1.00 0.00 C ATOM 453 CD GLU A 32 -13.367 -11.534 0.437 1.00 0.00 C ATOM 454 OE1 GLU A 32 -13.197 -11.097 -0.721 1.00 0.00 O ATOM 455 OE2 GLU A 32 -13.908 -12.634 0.681 1.00 0.00 O ATOM 0 H GLU A 32 -10.997 -11.961 3.685 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.990 -12.469 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.104 -9.954 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.078 -9.935 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.218 -11.152 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.363 -9.709 1.553 1.00 0.00 H new ATOM 462 N LEU A 33 -8.418 -11.284 2.477 1.00 0.00 N ATOM 463 CA LEU A 33 -6.988 -11.012 2.398 1.00 0.00 C ATOM 464 C LEU A 33 -6.252 -12.162 1.716 1.00 0.00 C ATOM 465 O LEU A 33 -5.678 -11.994 0.640 1.00 0.00 O ATOM 466 CB LEU A 33 -6.413 -10.783 3.797 1.00 0.00 C ATOM 467 CG LEU A 33 -6.502 -9.353 4.333 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.425 -9.347 5.852 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.398 -8.492 3.737 1.00 0.00 C ATOM 0 H LEU A 33 -8.808 -11.220 3.417 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.848 -10.110 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.930 -11.444 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.365 -11.083 3.791 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.463 -8.933 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.490 -8.321 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.251 -9.930 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.479 -9.786 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.476 -7.478 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.427 -8.910 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.499 -8.470 2.652 1.00 0.00 H new ATOM 481 N SER A 34 -6.275 -13.331 2.349 1.00 0.00 N ATOM 482 CA SER A 34 -5.609 -14.508 1.804 1.00 0.00 C ATOM 483 C SER A 34 -5.925 -14.674 0.322 1.00 0.00 C ATOM 484 O SER A 34 -5.036 -14.940 -0.489 1.00 0.00 O ATOM 485 CB SER A 34 -6.037 -15.762 2.571 1.00 0.00 C ATOM 486 OG SER A 34 -5.284 -16.891 2.163 1.00 0.00 O ATOM 0 H SER A 34 -6.747 -13.488 3.239 1.00 0.00 H new ATOM 0 HA SER A 34 -4.533 -14.370 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.905 -15.600 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.098 -15.949 2.405 1.00 0.00 H new ATOM 0 HG SER A 34 -5.575 -17.678 2.668 1.00 0.00 H new ATOM 492 N LYS A 35 -7.198 -14.513 -0.028 1.00 0.00 N ATOM 493 CA LYS A 35 -7.634 -14.644 -1.413 1.00 0.00 C ATOM 494 C LYS A 35 -6.865 -13.684 -2.317 1.00 0.00 C ATOM 495 O LYS A 35 -6.149 -14.110 -3.224 1.00 0.00 O ATOM 496 CB LYS A 35 -9.135 -14.373 -1.525 1.00 0.00 C ATOM 497 CG LYS A 35 -9.690 -14.585 -2.923 1.00 0.00 C ATOM 498 CD LYS A 35 -9.626 -13.310 -3.747 1.00 0.00 C ATOM 499 CE LYS A 35 -10.844 -12.431 -3.511 1.00 0.00 C ATOM 500 NZ LYS A 35 -10.710 -11.106 -4.173 1.00 0.00 N ATOM 0 H LYS A 35 -7.946 -14.291 0.630 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.431 -15.665 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.666 -15.024 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.334 -13.347 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.126 -15.372 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.723 -14.926 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.722 -12.756 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.558 -13.563 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.734 -12.936 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.987 -12.289 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.494 -10.490 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.806 -10.671 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.736 -11.229 -5.205 1.00 0.00 H new ATOM 514 N ILE A 36 -7.017 -12.390 -2.063 1.00 0.00 N ATOM 515 CA ILE A 36 -6.336 -11.371 -2.853 1.00 0.00 C ATOM 516 C ILE A 36 -4.861 -11.713 -3.035 1.00 0.00 C ATOM 517 O ILE A 36 -4.294 -11.507 -4.107 1.00 0.00 O ATOM 518 CB ILE A 36 -6.452 -9.981 -2.200 1.00 0.00 C ATOM 519 CG1 ILE A 36 -7.922 -9.575 -2.071 1.00 0.00 C ATOM 520 CG2 ILE A 36 -5.681 -8.949 -3.009 1.00 0.00 C ATOM 521 CD1 ILE A 36 -8.142 -8.381 -1.169 1.00 0.00 C ATOM 0 H ILE A 36 -7.606 -12.021 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.825 -11.347 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.018 -10.028 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.316 -9.349 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.492 -10.421 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.773 -7.972 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.630 -9.233 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.087 -8.901 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.206 -8.150 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.778 -8.610 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.600 -7.522 -1.564 1.00 0.00 H new ATOM 533 N ALA A 37 -4.246 -12.237 -1.980 1.00 0.00 N ATOM 534 CA ALA A 37 -2.837 -12.612 -2.025 1.00 0.00 C ATOM 535 C ALA A 37 -2.583 -13.662 -3.102 1.00 0.00 C ATOM 536 O ALA A 37 -1.730 -13.479 -3.971 1.00 0.00 O ATOM 537 CB ALA A 37 -2.385 -13.125 -0.667 1.00 0.00 C ATOM 0 H ALA A 37 -4.701 -12.412 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.257 -11.724 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.332 -13.401 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.522 -12.344 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.977 -13.998 -0.392 1.00 0.00 H new ATOM 543 N ASP A 38 -3.325 -14.761 -3.036 1.00 0.00 N ATOM 544 CA ASP A 38 -3.180 -15.840 -4.007 1.00 0.00 C ATOM 545 C ASP A 38 -3.179 -15.294 -5.431 1.00 0.00 C ATOM 546 O ASP A 38 -2.569 -15.875 -6.328 1.00 0.00 O ATOM 547 CB ASP A 38 -4.307 -16.860 -3.839 1.00 0.00 C ATOM 548 CG ASP A 38 -4.076 -18.118 -4.653 1.00 0.00 C ATOM 549 OD1 ASP A 38 -3.175 -18.902 -4.290 1.00 0.00 O ATOM 550 OD2 ASP A 38 -4.795 -18.317 -5.656 1.00 0.00 O ATOM 0 H ASP A 38 -4.033 -14.929 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.225 -16.332 -3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.400 -17.124 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.252 -16.406 -4.138 1.00 0.00 H new ATOM 555 N SER A 39 -3.867 -14.174 -5.631 1.00 0.00 N ATOM 556 CA SER A 39 -3.949 -13.553 -6.946 1.00 0.00 C ATOM 557 C SER A 39 -2.672 -12.780 -7.264 1.00 0.00 C ATOM 558 O SER A 39 -2.154 -12.843 -8.379 1.00 0.00 O ATOM 559 CB SER A 39 -5.156 -12.616 -7.018 1.00 0.00 C ATOM 560 OG SER A 39 -6.369 -13.349 -7.047 1.00 0.00 O ATOM 0 H SER A 39 -4.375 -13.679 -4.898 1.00 0.00 H new ATOM 0 HA SER A 39 -4.068 -14.345 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.152 -11.946 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.083 -11.992 -7.908 1.00 0.00 H new ATOM 0 HG SER A 39 -7.126 -12.728 -7.091 1.00 0.00 H new ATOM 566 N VAL A 40 -2.169 -12.050 -6.273 1.00 0.00 N ATOM 567 CA VAL A 40 -0.952 -11.264 -6.444 1.00 0.00 C ATOM 568 C VAL A 40 0.285 -12.091 -6.112 1.00 0.00 C ATOM 569 O VAL A 40 1.363 -11.545 -5.874 1.00 0.00 O ATOM 570 CB VAL A 40 -0.968 -10.005 -5.559 1.00 0.00 C ATOM 571 CG1 VAL A 40 -2.080 -9.061 -5.992 1.00 0.00 C ATOM 572 CG2 VAL A 40 -1.121 -10.386 -4.094 1.00 0.00 C ATOM 0 H VAL A 40 -2.585 -11.987 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.914 -10.961 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.017 -9.486 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.075 -8.177 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.921 -8.762 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.042 -9.567 -5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.130 -9.484 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.056 -10.928 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.286 -11.019 -3.794 1.00 0.00 H new ATOM 582 N ASN A 41 0.125 -13.409 -6.099 1.00 0.00 N ATOM 583 CA ASN A 41 1.230 -14.311 -5.796 1.00 0.00 C ATOM 584 C ASN A 41 1.982 -13.852 -4.551 1.00 0.00 C ATOM 585 O ASN A 41 3.212 -13.846 -4.522 1.00 0.00 O ATOM 586 CB ASN A 41 2.190 -14.392 -6.984 1.00 0.00 C ATOM 587 CG ASN A 41 1.512 -14.902 -8.242 1.00 0.00 C ATOM 588 OD1 ASN A 41 0.460 -15.535 -8.180 1.00 0.00 O ATOM 589 ND2 ASN A 41 2.116 -14.626 -9.392 1.00 0.00 N ATOM 0 H ASN A 41 -0.760 -13.877 -6.295 1.00 0.00 H new ATOM 0 HA ASN A 41 0.816 -15.301 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.610 -13.405 -7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.022 -15.049 -6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.708 -14.943 -10.271 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.988 -14.097 -9.396 1.00 0.00 H new ATOM 596 N LEU A 42 1.233 -13.467 -3.523 1.00 0.00 N ATOM 597 CA LEU A 42 1.827 -13.007 -2.273 1.00 0.00 C ATOM 598 C LEU A 42 1.145 -13.655 -1.073 1.00 0.00 C ATOM 599 O LEU A 42 0.002 -14.106 -1.147 1.00 0.00 O ATOM 600 CB LEU A 42 1.728 -11.484 -2.169 1.00 0.00 C ATOM 601 CG LEU A 42 2.760 -10.687 -2.968 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.360 -9.222 -3.046 1.00 0.00 C ATOM 603 CD2 LEU A 42 4.142 -10.833 -2.349 1.00 0.00 C ATOM 0 H LEU A 42 0.213 -13.464 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 42 2.877 -13.299 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.733 -11.182 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.817 -11.205 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 42 2.794 -11.087 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.106 -8.671 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.390 -9.135 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.296 -8.808 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.864 -10.259 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.123 -10.460 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.431 -11.884 -2.347 1.00 0.00 H new ATOM 615 N PRO A 43 1.860 -13.703 0.061 1.00 0.00 N ATOM 616 CA PRO A 43 1.342 -14.291 1.299 1.00 0.00 C ATOM 617 C PRO A 43 0.229 -13.452 1.920 1.00 0.00 C ATOM 618 O PRO A 43 -0.077 -12.358 1.442 1.00 0.00 O ATOM 619 CB PRO A 43 2.566 -14.321 2.218 1.00 0.00 C ATOM 620 CG PRO A 43 3.447 -13.231 1.708 1.00 0.00 C ATOM 621 CD PRO A 43 3.228 -13.184 0.221 1.00 0.00 C ATOM 0 HA PRO A 43 0.896 -15.271 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.285 -14.150 3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.068 -15.288 2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.195 -12.277 2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.492 -13.432 1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.321 -12.170 -0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.955 -13.797 -0.312 1.00 0.00 H new ATOM 629 N LEU A 44 -0.372 -13.969 2.985 1.00 0.00 N ATOM 630 CA LEU A 44 -1.450 -13.266 3.672 1.00 0.00 C ATOM 631 C LEU A 44 -0.896 -12.166 4.572 1.00 0.00 C ATOM 632 O LEU A 44 -1.587 -11.195 4.878 1.00 0.00 O ATOM 633 CB LEU A 44 -2.279 -14.249 4.500 1.00 0.00 C ATOM 634 CG LEU A 44 -3.078 -13.646 5.656 1.00 0.00 C ATOM 635 CD1 LEU A 44 -4.166 -12.722 5.128 1.00 0.00 C ATOM 636 CD2 LEU A 44 -3.680 -14.746 6.518 1.00 0.00 C ATOM 0 H LEU A 44 -0.131 -14.873 3.392 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.089 -12.806 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.973 -14.760 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.609 -15.008 4.905 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.400 -13.058 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.724 -12.302 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.711 -11.915 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.843 -13.286 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.245 -14.299 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.345 -15.361 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.882 -15.367 6.925 1.00 0.00 H new ATOM 648 N ASP A 45 0.354 -12.325 4.990 1.00 0.00 N ATOM 649 CA ASP A 45 1.002 -11.343 5.854 1.00 0.00 C ATOM 650 C ASP A 45 1.384 -10.095 5.063 1.00 0.00 C ATOM 651 O ASP A 45 1.052 -8.975 5.453 1.00 0.00 O ATOM 652 CB ASP A 45 2.245 -11.948 6.506 1.00 0.00 C ATOM 653 CG ASP A 45 3.010 -12.859 5.565 1.00 0.00 C ATOM 654 OD1 ASP A 45 2.627 -14.041 5.440 1.00 0.00 O ATOM 655 OD2 ASP A 45 3.990 -12.387 4.952 1.00 0.00 O ATOM 0 H ASP A 45 0.940 -13.124 4.746 1.00 0.00 H new ATOM 0 HA ASP A 45 0.296 -11.057 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.901 -11.146 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.949 -12.511 7.391 1.00 0.00 H new ATOM 660 N VAL A 46 2.086 -10.294 3.952 1.00 0.00 N ATOM 661 CA VAL A 46 2.513 -9.186 3.108 1.00 0.00 C ATOM 662 C VAL A 46 1.341 -8.275 2.761 1.00 0.00 C ATOM 663 O VAL A 46 1.433 -7.054 2.881 1.00 0.00 O ATOM 664 CB VAL A 46 3.161 -9.690 1.803 1.00 0.00 C ATOM 665 CG1 VAL A 46 3.265 -8.562 0.789 1.00 0.00 C ATOM 666 CG2 VAL A 46 4.529 -10.292 2.087 1.00 0.00 C ATOM 0 H VAL A 46 2.371 -11.214 3.616 1.00 0.00 H new ATOM 0 HA VAL A 46 3.252 -8.622 3.678 1.00 0.00 H new ATOM 0 HB VAL A 46 2.527 -10.469 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.725 -8.936 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.269 -8.181 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.876 -7.759 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.973 -10.643 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.174 -9.535 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.422 -11.130 2.776 1.00 0.00 H new ATOM 676 N VAL A 47 0.237 -8.878 2.331 1.00 0.00 N ATOM 677 CA VAL A 47 -0.956 -8.123 1.968 1.00 0.00 C ATOM 678 C VAL A 47 -1.567 -7.442 3.188 1.00 0.00 C ATOM 679 O VAL A 47 -2.077 -6.326 3.098 1.00 0.00 O ATOM 680 CB VAL A 47 -2.015 -9.028 1.313 1.00 0.00 C ATOM 681 CG1 VAL A 47 -3.246 -8.218 0.929 1.00 0.00 C ATOM 682 CG2 VAL A 47 -1.434 -9.736 0.098 1.00 0.00 C ATOM 0 H VAL A 47 0.144 -9.888 2.226 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.645 -7.364 1.250 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.317 -9.785 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.984 -8.874 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.674 -7.762 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.962 -7.438 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.197 -10.371 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.102 -8.996 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.586 -10.349 0.405 1.00 0.00 H new ATOM 692 N LYS A 48 -1.513 -8.123 4.326 1.00 0.00 N ATOM 693 CA LYS A 48 -2.059 -7.585 5.566 1.00 0.00 C ATOM 694 C LYS A 48 -1.292 -6.342 6.005 1.00 0.00 C ATOM 695 O LYS A 48 -1.883 -5.293 6.263 1.00 0.00 O ATOM 696 CB LYS A 48 -2.011 -8.644 6.672 1.00 0.00 C ATOM 697 CG LYS A 48 -3.234 -9.542 6.706 1.00 0.00 C ATOM 698 CD LYS A 48 -2.994 -10.779 7.556 1.00 0.00 C ATOM 699 CE LYS A 48 -3.110 -10.468 9.040 1.00 0.00 C ATOM 700 NZ LYS A 48 -4.511 -10.149 9.432 1.00 0.00 N ATOM 0 H LYS A 48 -1.096 -9.050 4.416 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.097 -7.305 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.122 -9.260 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.909 -8.146 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.084 -8.986 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.495 -9.842 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.715 -11.551 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.003 -11.181 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.756 -11.321 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.463 -9.626 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.617 -10.259 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.732 -9.169 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.164 -10.796 8.946 1.00 0.00 H new ATOM 714 N LYS A 49 0.028 -6.465 6.088 1.00 0.00 N ATOM 715 CA LYS A 49 0.877 -5.351 6.491 1.00 0.00 C ATOM 716 C LYS A 49 0.528 -4.088 5.712 1.00 0.00 C ATOM 717 O LYS A 49 0.043 -3.110 6.280 1.00 0.00 O ATOM 718 CB LYS A 49 2.351 -5.702 6.278 1.00 0.00 C ATOM 719 CG LYS A 49 3.001 -6.359 7.483 1.00 0.00 C ATOM 720 CD LYS A 49 2.559 -7.806 7.636 1.00 0.00 C ATOM 721 CE LYS A 49 2.673 -8.273 9.080 1.00 0.00 C ATOM 722 NZ LYS A 49 2.043 -9.609 9.281 1.00 0.00 N ATOM 0 H LYS A 49 0.534 -7.326 5.881 1.00 0.00 H new ATOM 0 HA LYS A 49 0.703 -5.162 7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.436 -6.370 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.900 -4.793 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.085 -6.318 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.745 -5.802 8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.528 -7.910 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.169 -8.444 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.724 -8.320 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.197 -7.544 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.973 -9.810 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.091 -9.611 8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.624 -10.339 8.823 1.00 0.00 H new ATOM 736 N TRP A 50 0.773 -4.117 4.407 1.00 0.00 N ATOM 737 CA TRP A 50 0.482 -2.975 3.549 1.00 0.00 C ATOM 738 C TRP A 50 -0.822 -2.301 3.963 1.00 0.00 C ATOM 739 O TRP A 50 -0.828 -1.143 4.378 1.00 0.00 O ATOM 740 CB TRP A 50 0.400 -3.416 2.087 1.00 0.00 C ATOM 741 CG TRP A 50 0.306 -2.272 1.124 1.00 0.00 C ATOM 742 CD1 TRP A 50 1.338 -1.674 0.459 1.00 0.00 C ATOM 743 CD2 TRP A 50 -0.885 -1.587 0.721 1.00 0.00 C ATOM 744 NE1 TRP A 50 0.860 -0.658 -0.334 1.00 0.00 N ATOM 745 CE2 TRP A 50 -0.500 -0.585 -0.192 1.00 0.00 C ATOM 746 CE3 TRP A 50 -2.239 -1.723 1.040 1.00 0.00 C ATOM 747 CZ2 TRP A 50 -1.422 0.275 -0.784 1.00 0.00 C ATOM 748 CZ3 TRP A 50 -3.151 -0.869 0.452 1.00 0.00 C ATOM 749 CH2 TRP A 50 -2.740 0.119 -0.453 1.00 0.00 C ATOM 0 H TRP A 50 1.173 -4.919 3.920 1.00 0.00 H new ATOM 0 HA TRP A 50 1.293 -2.255 3.659 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.279 -4.013 1.846 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.469 -4.062 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.377 -1.958 0.544 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.427 -0.056 -0.931 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.566 -2.483 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.107 1.038 -1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.199 -0.964 0.694 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -3.478 0.770 -0.898 1.00 0.00 H new ATOM 760 N PHE A 51 -1.924 -3.035 3.846 1.00 0.00 N ATOM 761 CA PHE A 51 -3.234 -2.507 4.209 1.00 0.00 C ATOM 762 C PHE A 51 -3.172 -1.761 5.539 1.00 0.00 C ATOM 763 O PHE A 51 -3.693 -0.653 5.666 1.00 0.00 O ATOM 764 CB PHE A 51 -4.259 -3.640 4.294 1.00 0.00 C ATOM 765 CG PHE A 51 -4.934 -3.938 2.986 1.00 0.00 C ATOM 766 CD1 PHE A 51 -5.602 -2.943 2.294 1.00 0.00 C ATOM 767 CD2 PHE A 51 -4.898 -5.216 2.449 1.00 0.00 C ATOM 768 CE1 PHE A 51 -6.224 -3.214 1.089 1.00 0.00 C ATOM 769 CE2 PHE A 51 -5.517 -5.492 1.244 1.00 0.00 C ATOM 770 CZ PHE A 51 -6.182 -4.491 0.565 1.00 0.00 C ATOM 0 H PHE A 51 -1.936 -3.996 3.503 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.542 -1.805 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.762 -4.542 4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.016 -3.379 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.638 -1.943 2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.381 -6.004 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.742 -2.428 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.480 -6.491 0.834 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.669 -4.706 -0.375 1.00 0.00 H new ATOM 780 N GLU A 52 -2.532 -2.378 6.527 1.00 0.00 N ATOM 781 CA GLU A 52 -2.402 -1.773 7.847 1.00 0.00 C ATOM 782 C GLU A 52 -1.577 -0.492 7.781 1.00 0.00 C ATOM 783 O GLU A 52 -1.904 0.505 8.423 1.00 0.00 O ATOM 784 CB GLU A 52 -1.755 -2.759 8.822 1.00 0.00 C ATOM 785 CG GLU A 52 -2.561 -4.033 9.024 1.00 0.00 C ATOM 786 CD GLU A 52 -3.740 -3.835 9.958 1.00 0.00 C ATOM 787 OE1 GLU A 52 -3.522 -3.759 11.184 1.00 0.00 O ATOM 788 OE2 GLU A 52 -4.883 -3.755 9.459 1.00 0.00 O ATOM 0 H GLU A 52 -2.096 -3.296 6.438 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.401 -1.522 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.763 -3.021 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.619 -2.268 9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.922 -4.387 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.911 -4.810 9.425 1.00 0.00 H new ATOM 795 N LYS A 53 -0.502 -0.528 6.998 1.00 0.00 N ATOM 796 CA LYS A 53 0.371 0.630 6.845 1.00 0.00 C ATOM 797 C LYS A 53 -0.375 1.794 6.202 1.00 0.00 C ATOM 798 O LYS A 53 -0.490 2.870 6.788 1.00 0.00 O ATOM 799 CB LYS A 53 1.593 0.264 6.001 1.00 0.00 C ATOM 800 CG LYS A 53 2.737 -0.326 6.808 1.00 0.00 C ATOM 801 CD LYS A 53 2.593 -1.831 6.963 1.00 0.00 C ATOM 802 CE LYS A 53 3.727 -2.418 7.789 1.00 0.00 C ATOM 803 NZ LYS A 53 4.978 -2.557 6.994 1.00 0.00 N ATOM 0 H LYS A 53 -0.216 -1.346 6.460 1.00 0.00 H new ATOM 0 HA LYS A 53 0.701 0.938 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.294 -0.451 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.947 1.156 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.684 -0.099 6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.767 0.141 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.639 -2.059 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.578 -2.299 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.915 -1.780 8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.430 -3.394 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.727 -2.960 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.806 -3.186 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.276 -1.622 6.650 1.00 0.00 H new ATOM 817 N MET A 54 -0.880 1.572 4.993 1.00 0.00 N ATOM 818 CA MET A 54 -1.618 2.602 4.271 1.00 0.00 C ATOM 819 C MET A 54 -2.810 3.090 5.089 1.00 0.00 C ATOM 820 O MET A 54 -2.979 4.291 5.297 1.00 0.00 O ATOM 821 CB MET A 54 -2.096 2.065 2.921 1.00 0.00 C ATOM 822 CG MET A 54 -2.216 3.137 1.849 1.00 0.00 C ATOM 823 SD MET A 54 -3.847 3.903 1.813 1.00 0.00 S ATOM 824 CE MET A 54 -4.463 3.311 0.238 1.00 0.00 C ATOM 0 H MET A 54 -0.792 0.688 4.492 1.00 0.00 H new ATOM 0 HA MET A 54 -0.947 3.444 4.101 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.403 1.296 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.065 1.584 3.053 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.462 3.905 2.022 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.004 2.696 0.875 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.312 3.920 -0.072 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.674 3.381 -0.511 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.778 2.272 0.338 1.00 0.00 H new ATOM 834 N GLN A 55 -3.632 2.152 5.546 1.00 0.00 N ATOM 835 CA GLN A 55 -4.807 2.489 6.341 1.00 0.00 C ATOM 836 C GLN A 55 -4.439 3.419 7.492 1.00 0.00 C ATOM 837 O GLN A 55 -5.262 4.211 7.950 1.00 0.00 O ATOM 838 CB GLN A 55 -5.462 1.218 6.884 1.00 0.00 C ATOM 839 CG GLN A 55 -6.287 0.468 5.850 1.00 0.00 C ATOM 840 CD GLN A 55 -6.828 -0.846 6.379 1.00 0.00 C ATOM 841 OE1 GLN A 55 -6.662 -1.911 5.601 1.00 0.00 O flip ATOM 842 NE2 GLN A 55 -7.390 -0.905 7.472 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.507 1.153 5.380 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.516 3.007 5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.686 0.555 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.102 1.481 7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.118 1.096 5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.673 0.276 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.496 -0.062 8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.750 -1.796 7.813 1.00 0.00 H new ATOM 851 N ALA A 56 -3.199 3.315 7.956 1.00 0.00 N ATOM 852 CA ALA A 56 -2.721 4.147 9.053 1.00 0.00 C ATOM 853 C ALA A 56 -2.271 5.514 8.549 1.00 0.00 C ATOM 854 O ALA A 56 -2.316 6.503 9.280 1.00 0.00 O ATOM 855 CB ALA A 56 -1.584 3.453 9.787 1.00 0.00 C ATOM 0 H ALA A 56 -2.506 2.662 7.589 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.547 4.298 9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.238 4.087 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.937 2.503 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.762 3.271 9.095 1.00 0.00 H new ATOM 861 N GLY A 57 -1.836 5.564 7.293 1.00 0.00 N ATOM 862 CA GLY A 57 -1.383 6.815 6.714 1.00 0.00 C ATOM 863 C GLY A 57 0.123 6.866 6.549 1.00 0.00 C ATOM 864 O GLY A 57 0.713 7.945 6.504 1.00 0.00 O ATOM 0 H GLY A 57 -1.789 4.760 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.857 6.955 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.704 7.642 7.347 1.00 0.00 H new ATOM 868 N GLN A 58 0.748 5.695 6.461 1.00 0.00 N ATOM 869 CA GLN A 58 2.194 5.612 6.303 1.00 0.00 C ATOM 870 C GLN A 58 2.581 5.591 4.829 1.00 0.00 C ATOM 871 O GLN A 58 3.502 6.293 4.407 1.00 0.00 O ATOM 872 CB GLN A 58 2.733 4.363 7.002 1.00 0.00 C ATOM 873 CG GLN A 58 3.114 4.597 8.456 1.00 0.00 C ATOM 874 CD GLN A 58 3.512 3.318 9.167 1.00 0.00 C ATOM 875 OE1 GLN A 58 4.602 2.785 8.948 1.00 0.00 O ATOM 876 NE2 GLN A 58 2.631 2.818 10.023 1.00 0.00 N ATOM 0 H GLN A 58 0.275 4.792 6.497 1.00 0.00 H new ATOM 0 HA GLN A 58 2.636 6.496 6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.980 3.576 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.607 4.001 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.941 5.306 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.274 5.053 8.979 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.741 3.292 10.174 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.844 1.959 10.531 1.00 0.00 H new ATOM 885 N ILE A 59 1.873 4.781 4.048 1.00 0.00 N ATOM 886 CA ILE A 59 2.142 4.669 2.620 1.00 0.00 C ATOM 887 C ILE A 59 1.546 5.845 1.855 1.00 0.00 C ATOM 888 O ILE A 59 0.436 5.760 1.331 1.00 0.00 O ATOM 889 CB ILE A 59 1.579 3.357 2.043 1.00 0.00 C ATOM 890 CG1 ILE A 59 2.193 2.153 2.761 1.00 0.00 C ATOM 891 CG2 ILE A 59 1.845 3.279 0.546 1.00 0.00 C ATOM 892 CD1 ILE A 59 1.520 0.841 2.424 1.00 0.00 C ATOM 0 H ILE A 59 1.109 4.193 4.381 1.00 0.00 H new ATOM 0 HA ILE A 59 3.225 4.673 2.501 1.00 0.00 H new ATOM 0 HB ILE A 59 0.501 3.341 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.250 2.087 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.137 2.315 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.441 2.346 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.365 4.121 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.919 3.314 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.007 0.032 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.469 0.888 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.599 0.656 1.353 1.00 0.00 H new ATOM 904 N SER A 60 2.294 6.942 1.791 1.00 0.00 N ATOM 905 CA SER A 60 1.838 8.138 1.091 1.00 0.00 C ATOM 906 C SER A 60 2.936 9.197 1.054 1.00 0.00 C ATOM 907 O SER A 60 4.015 9.009 1.616 1.00 0.00 O ATOM 908 CB SER A 60 0.588 8.706 1.764 1.00 0.00 C ATOM 909 OG SER A 60 0.897 9.249 3.037 1.00 0.00 O ATOM 0 H SER A 60 3.218 7.028 2.215 1.00 0.00 H new ATOM 0 HA SER A 60 1.593 7.857 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.150 9.479 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.160 7.920 1.872 1.00 0.00 H new ATOM 0 HG SER A 60 0.082 9.607 3.446 1.00 0.00 H new ATOM 915 N VAL A 61 2.651 10.312 0.389 1.00 0.00 N ATOM 916 CA VAL A 61 3.613 11.404 0.281 1.00 0.00 C ATOM 917 C VAL A 61 3.352 12.473 1.335 1.00 0.00 C ATOM 918 O VAL A 61 2.289 13.094 1.352 1.00 0.00 O ATOM 919 CB VAL A 61 3.568 12.053 -1.115 1.00 0.00 C ATOM 920 CG1 VAL A 61 4.548 13.212 -1.196 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.861 11.020 -2.192 1.00 0.00 C ATOM 0 H VAL A 61 1.763 10.483 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 61 4.601 10.973 0.443 1.00 0.00 H new ATOM 0 HB VAL A 61 2.565 12.444 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.502 13.658 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.287 13.962 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.558 12.848 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.825 11.496 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.852 10.597 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.116 10.226 -2.147 1.00 0.00 H new ATOM 931 N GLN A 62 4.329 12.683 2.211 1.00 0.00 N ATOM 932 CA GLN A 62 4.203 13.678 3.270 1.00 0.00 C ATOM 933 C GLN A 62 3.772 15.027 2.701 1.00 0.00 C ATOM 934 O GLN A 62 4.312 15.489 1.696 1.00 0.00 O ATOM 935 CB GLN A 62 5.530 13.827 4.017 1.00 0.00 C ATOM 936 CG GLN A 62 5.916 12.597 4.822 1.00 0.00 C ATOM 937 CD GLN A 62 6.874 12.917 5.953 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.527 13.634 6.891 1.00 0.00 O ATOM 939 NE2 GLN A 62 8.087 12.384 5.869 1.00 0.00 N ATOM 0 H GLN A 62 5.215 12.178 2.209 1.00 0.00 H new ATOM 0 HA GLN A 62 3.437 13.337 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.320 14.043 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.466 14.684 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.016 12.139 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.374 11.863 4.159 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.331 11.795 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.775 12.563 6.601 1.00 0.00 H new ATOM 948 N SER A 63 2.796 15.654 3.352 1.00 0.00 N ATOM 949 CA SER A 63 2.290 16.946 2.907 1.00 0.00 C ATOM 950 C SER A 63 1.356 17.550 3.951 1.00 0.00 C ATOM 951 O SER A 63 0.583 16.840 4.594 1.00 0.00 O ATOM 952 CB SER A 63 1.557 16.801 1.573 1.00 0.00 C ATOM 953 OG SER A 63 0.288 16.195 1.752 1.00 0.00 O ATOM 0 H SER A 63 2.341 15.288 4.188 1.00 0.00 H new ATOM 0 HA SER A 63 3.140 17.615 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.434 17.782 1.114 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.157 16.201 0.888 1.00 0.00 H new ATOM 0 HG SER A 63 -0.162 16.115 0.885 1.00 0.00 H new ATOM 959 N SER A 64 1.432 18.868 4.113 1.00 0.00 N ATOM 960 CA SER A 64 0.596 19.568 5.081 1.00 0.00 C ATOM 961 C SER A 64 -0.607 20.209 4.396 1.00 0.00 C ATOM 962 O SER A 64 -0.470 21.190 3.666 1.00 0.00 O ATOM 963 CB SER A 64 1.411 20.639 5.811 1.00 0.00 C ATOM 964 OG SER A 64 0.682 21.182 6.897 1.00 0.00 O ATOM 0 H SER A 64 2.064 19.472 3.587 1.00 0.00 H new ATOM 0 HA SER A 64 0.235 18.839 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.343 20.206 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.679 21.434 5.115 1.00 0.00 H new ATOM 0 HG SER A 64 1.225 21.862 7.348 1.00 0.00 H new TER 970 SER A 64