USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 137:sc= 0.209 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.147 USER MOD Set 2.1: A 16 GLN : amide:sc= 0.879 X(o=2.2,f=1.8) USER MOD Set 2.2: A 17 SER OG : rot -67:sc= 1.3 USER MOD Set 3.1: A 10 HIS : no HE2:sc= -3.77! K(o=-4!,f=-1.4) USER MOD Set 3.2: A 45 SER OG : rot -110:sc= -0.219 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -123:sc= 0.909 (180deg=-0.458) USER MOD Set 4.2: A 51 ASN : amide:sc= -0.489 X(o=0.42,f=0.87) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0711 (180deg=0) USER MOD Single : A 3 SER OG : rot -54:sc= 0.672 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -134:sc= -2.74! USER MOD Single : A 9 SER OG : rot 108:sc= 1.39 USER MOD Single : A 14 SER OG : rot -40:sc= 0.103 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0567) USER MOD Single : A 23 MET CE :methyl 160:sc= -0.266 (180deg=-1.04) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -0.365 (180deg=-2.18!) USER MOD Single : A 28 SER OG : rot -110:sc= 0.665 USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= -0.045 (180deg=-0.348) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.792) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.0987 (180deg=-0.482) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 0.387 (180deg=0.0544) USER MOD Single : A 49 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.22) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 144:sc= 0 (180deg=-0.119) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.27 K(o=-0.27,f=0.51) USER MOD Single : A 77 SER OG : rot 120:sc= -0.0863 USER MOD Single : A 82 SER OG : rot -150:sc= -0.531 USER MOD Single : A 87 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-8.7!) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= -0.0784 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.080 1.603 -0.436 1.00 45.34 N ATOM 2 CA GLY A 1 1.002 1.514 -1.883 1.00 50.12 C ATOM 3 C GLY A 1 2.015 2.404 -2.574 1.00 51.12 C ATOM 4 O GLY A 1 2.891 2.993 -1.941 1.00 41.13 O ATOM 0 H1 GLY A 1 1.263 0.659 -0.040 1.00 45.34 H new ATOM 0 H2 GLY A 1 1.852 2.247 -0.169 1.00 45.34 H new ATOM 0 H3 GLY A 1 0.181 1.967 -0.062 1.00 45.34 H new ATOM 0 HA2 GLY A 1 1.162 0.480 -2.189 1.00 50.12 H new ATOM 0 HA3 GLY A 1 -0.001 1.791 -2.207 1.00 50.12 H new ATOM 8 N PRO A 2 1.903 2.511 -3.907 1.00 63.12 N ATOM 9 CA PRO A 2 2.809 3.333 -4.714 1.00 41.24 C ATOM 10 C PRO A 2 2.602 4.825 -4.480 1.00 62.21 C ATOM 11 O PRO A 2 3.475 5.638 -4.784 1.00 21.22 O ATOM 12 CB PRO A 2 2.438 2.961 -6.153 1.00 3.25 C ATOM 13 CG PRO A 2 1.025 2.496 -6.072 1.00 5.32 C ATOM 14 CD PRO A 2 0.883 1.836 -4.728 1.00 3.32 C ATOM 0 HA PRO A 2 3.855 3.149 -4.467 1.00 41.24 H new ATOM 0 HB2 PRO A 2 2.535 3.817 -6.821 1.00 3.25 H new ATOM 0 HB3 PRO A 2 3.091 2.179 -6.540 1.00 3.25 H new ATOM 0 HG2 PRO A 2 0.333 3.332 -6.171 1.00 5.32 H new ATOM 0 HG3 PRO A 2 0.798 1.796 -6.876 1.00 5.32 H new ATOM 0 HD2 PRO A 2 -0.118 1.972 -4.317 1.00 3.32 H new ATOM 0 HD3 PRO A 2 1.061 0.762 -4.787 1.00 3.32 H new ATOM 22 N SER A 3 1.441 5.178 -3.937 1.00 41.31 N ATOM 23 CA SER A 3 1.119 6.575 -3.665 1.00 33.23 C ATOM 24 C SER A 3 1.183 7.406 -4.942 1.00 21.14 C ATOM 25 O SER A 3 1.684 8.530 -4.939 1.00 10.22 O ATOM 26 CB SER A 3 2.078 7.147 -2.620 1.00 2.35 C ATOM 27 OG SER A 3 1.711 8.467 -2.260 1.00 1.42 O ATOM 0 H SER A 3 0.709 4.517 -3.677 1.00 41.31 H new ATOM 0 HA SER A 3 0.102 6.619 -3.276 1.00 33.23 H new ATOM 0 HB2 SER A 3 2.077 6.512 -1.734 1.00 2.35 H new ATOM 0 HB3 SER A 3 3.094 7.143 -3.014 1.00 2.35 H new ATOM 0 HG SER A 3 1.639 9.018 -3.067 1.00 1.42 H new ATOM 33 N ASN A 4 0.673 6.844 -6.033 1.00 12.44 N ATOM 34 CA ASN A 4 0.673 7.533 -7.318 1.00 52.12 C ATOM 35 C ASN A 4 -0.571 8.405 -7.469 1.00 22.12 C ATOM 36 O ASN A 4 -0.476 9.599 -7.756 1.00 31.44 O ATOM 37 CB ASN A 4 0.740 6.520 -8.463 1.00 42.44 C ATOM 38 CG ASN A 4 1.101 7.167 -9.787 1.00 11.32 C ATOM 39 OD1 ASN A 4 0.264 7.280 -10.683 1.00 45.31 O ATOM 40 ND2 ASN A 4 2.352 7.596 -9.915 1.00 33.43 N ATOM 0 H ASN A 4 0.255 5.914 -6.053 1.00 12.44 H new ATOM 0 HA ASN A 4 1.553 8.176 -7.357 1.00 52.12 H new ATOM 0 HB2 ASN A 4 1.477 5.753 -8.224 1.00 42.44 H new ATOM 0 HB3 ASN A 4 -0.223 6.018 -8.557 1.00 42.44 H new ATOM 0 HD21 ASN A 4 2.653 8.040 -10.783 1.00 33.43 H new ATOM 0 HD22 ASN A 4 3.012 7.481 -9.146 1.00 33.43 H new ATOM 47 N LYS A 5 -1.738 7.800 -7.272 1.00 5.12 N ATOM 48 CA LYS A 5 -3.001 8.520 -7.383 1.00 22.25 C ATOM 49 C LYS A 5 -3.989 8.051 -6.318 1.00 52.54 C ATOM 50 O LYS A 5 -3.830 6.975 -5.741 1.00 70.02 O ATOM 51 CB LYS A 5 -3.603 8.321 -8.776 1.00 13.52 C ATOM 52 CG LYS A 5 -3.177 7.026 -9.444 1.00 63.10 C ATOM 53 CD LYS A 5 -3.837 6.856 -10.802 1.00 5.03 C ATOM 54 CE LYS A 5 -3.129 7.672 -11.873 1.00 72.20 C ATOM 55 NZ LYS A 5 -3.753 7.491 -13.212 1.00 54.02 N ATOM 0 H LYS A 5 -1.835 6.813 -7.035 1.00 5.12 H new ATOM 0 HA LYS A 5 -2.802 9.580 -7.228 1.00 22.25 H new ATOM 0 HB2 LYS A 5 -4.690 8.339 -8.699 1.00 13.52 H new ATOM 0 HB3 LYS A 5 -3.314 9.159 -9.410 1.00 13.52 H new ATOM 0 HG2 LYS A 5 -2.093 7.015 -9.561 1.00 63.10 H new ATOM 0 HG3 LYS A 5 -3.437 6.183 -8.804 1.00 63.10 H new ATOM 0 HD2 LYS A 5 -3.830 5.803 -11.082 1.00 5.03 H new ATOM 0 HD3 LYS A 5 -4.881 7.162 -10.741 1.00 5.03 H new ATOM 0 HE2 LYS A 5 -3.153 8.727 -11.601 1.00 72.20 H new ATOM 0 HE3 LYS A 5 -2.080 7.379 -11.919 1.00 72.20 H new ATOM 0 HZ1 LYS A 5 -3.242 8.063 -13.914 1.00 54.02 H new ATOM 0 HZ2 LYS A 5 -3.707 6.488 -13.484 1.00 54.02 H new ATOM 0 HZ3 LYS A 5 -4.747 7.795 -13.176 1.00 54.02 H new ATOM 69 N ILE A 6 -5.008 8.866 -6.065 1.00 61.33 N ATOM 70 CA ILE A 6 -6.023 8.532 -5.073 1.00 2.42 C ATOM 71 C ILE A 6 -7.369 9.153 -5.433 1.00 23.32 C ATOM 72 O ILE A 6 -7.430 10.197 -6.082 1.00 61.02 O ATOM 73 CB ILE A 6 -5.612 9.007 -3.667 1.00 45.41 C ATOM 74 CG1 ILE A 6 -5.387 10.521 -3.661 1.00 23.32 C ATOM 75 CG2 ILE A 6 -4.356 8.278 -3.208 1.00 14.23 C ATOM 76 CD1 ILE A 6 -5.707 11.173 -2.334 1.00 45.52 C ATOM 0 H ILE A 6 -5.152 9.761 -6.532 1.00 61.33 H new ATOM 0 HA ILE A 6 -6.116 7.446 -5.069 1.00 2.42 H new ATOM 0 HB ILE A 6 -6.419 8.776 -2.971 1.00 45.41 H new ATOM 0 HG12 ILE A 6 -4.348 10.727 -3.917 1.00 23.32 H new ATOM 0 HG13 ILE A 6 -6.002 10.975 -4.438 1.00 23.32 H new ATOM 0 HG21 ILE A 6 -4.078 8.624 -2.213 1.00 14.23 H new ATOM 0 HG22 ILE A 6 -4.548 7.205 -3.179 1.00 14.23 H new ATOM 0 HG23 ILE A 6 -3.542 8.482 -3.904 1.00 14.23 H new ATOM 0 HD11 ILE A 6 -5.525 12.245 -2.402 1.00 45.52 H new ATOM 0 HD12 ILE A 6 -6.754 10.998 -2.086 1.00 45.52 H new ATOM 0 HD13 ILE A 6 -5.073 10.746 -1.557 1.00 45.52 H new ATOM 88 N LYS A 7 -8.446 8.503 -5.006 1.00 45.51 N ATOM 89 CA LYS A 7 -9.792 8.992 -5.280 1.00 31.32 C ATOM 90 C LYS A 7 -10.107 10.223 -4.436 1.00 43.14 C ATOM 91 O LYS A 7 -9.649 10.341 -3.300 1.00 3.44 O ATOM 92 CB LYS A 7 -10.822 7.893 -5.001 1.00 63.04 C ATOM 93 CG LYS A 7 -11.680 7.545 -6.205 1.00 42.50 C ATOM 94 CD LYS A 7 -13.062 7.074 -5.786 1.00 54.24 C ATOM 95 CE LYS A 7 -14.135 8.081 -6.173 1.00 41.23 C ATOM 96 NZ LYS A 7 -15.506 7.528 -5.995 1.00 61.34 N ATOM 0 H LYS A 7 -8.413 7.636 -4.469 1.00 45.51 H new ATOM 0 HA LYS A 7 -9.842 9.272 -6.332 1.00 31.32 H new ATOM 0 HB2 LYS A 7 -10.302 6.996 -4.664 1.00 63.04 H new ATOM 0 HB3 LYS A 7 -11.469 8.212 -4.184 1.00 63.04 H new ATOM 0 HG2 LYS A 7 -11.772 8.418 -6.852 1.00 42.50 H new ATOM 0 HG3 LYS A 7 -11.190 6.766 -6.789 1.00 42.50 H new ATOM 0 HD2 LYS A 7 -13.277 6.113 -6.254 1.00 54.24 H new ATOM 0 HD3 LYS A 7 -13.082 6.915 -4.708 1.00 54.24 H new ATOM 0 HE2 LYS A 7 -14.025 8.980 -5.567 1.00 41.23 H new ATOM 0 HE3 LYS A 7 -13.996 8.378 -7.212 1.00 41.23 H new ATOM 0 HZ1 LYS A 7 -16.020 7.577 -6.898 1.00 61.34 H new ATOM 0 HZ2 LYS A 7 -15.443 6.537 -5.686 1.00 61.34 H new ATOM 0 HZ3 LYS A 7 -16.014 8.083 -5.277 1.00 61.34 H new ATOM 110 N CYS A 8 -10.891 11.136 -4.999 1.00 61.41 N ATOM 111 CA CYS A 8 -11.267 12.358 -4.298 1.00 65.13 C ATOM 112 C CYS A 8 -12.193 13.213 -5.156 1.00 4.32 C ATOM 113 O CYS A 8 -12.213 13.088 -6.380 1.00 54.53 O ATOM 114 CB CYS A 8 -10.019 13.157 -3.919 1.00 32.21 C ATOM 115 SG CYS A 8 -8.907 13.492 -5.305 1.00 70.42 S ATOM 0 H CYS A 8 -11.278 11.053 -5.939 1.00 61.41 H new ATOM 0 HA CYS A 8 -11.800 12.078 -3.389 1.00 65.13 H new ATOM 0 HB2 CYS A 8 -10.328 14.105 -3.478 1.00 32.21 H new ATOM 0 HB3 CYS A 8 -9.471 12.611 -3.151 1.00 32.21 H new ATOM 0 HG CYS A 8 -7.683 13.230 -4.953 1.00 70.42 H new ATOM 121 N SER A 9 -12.960 14.083 -4.505 1.00 61.31 N ATOM 122 CA SER A 9 -13.893 14.955 -5.207 1.00 43.44 C ATOM 123 C SER A 9 -13.512 16.421 -5.018 1.00 41.25 C ATOM 124 O SER A 9 -12.418 16.735 -4.547 1.00 13.12 O ATOM 125 CB SER A 9 -15.319 14.720 -4.709 1.00 22.44 C ATOM 126 OG SER A 9 -15.643 13.340 -4.725 1.00 21.24 O ATOM 0 H SER A 9 -12.953 14.202 -3.492 1.00 61.31 H new ATOM 0 HA SER A 9 -13.844 14.717 -6.270 1.00 43.44 H new ATOM 0 HB2 SER A 9 -15.423 15.110 -3.696 1.00 22.44 H new ATOM 0 HB3 SER A 9 -16.022 15.269 -5.336 1.00 22.44 H new ATOM 0 HG SER A 9 -15.673 13.000 -3.806 1.00 21.24 H new ATOM 132 N HIS A 10 -14.423 17.315 -5.390 1.00 70.34 N ATOM 133 CA HIS A 10 -14.185 18.749 -5.262 1.00 24.23 C ATOM 134 C HIS A 10 -15.459 19.538 -5.543 1.00 13.22 C ATOM 135 O HIS A 10 -16.277 19.141 -6.374 1.00 30.23 O ATOM 136 CB HIS A 10 -13.076 19.190 -6.217 1.00 5.34 C ATOM 137 CG HIS A 10 -13.448 19.071 -7.662 1.00 50.25 C ATOM 138 ND1 HIS A 10 -13.626 20.163 -8.486 1.00 44.12 N ATOM 139 CD2 HIS A 10 -13.675 17.981 -8.432 1.00 34.21 C ATOM 140 CE1 HIS A 10 -13.948 19.749 -9.699 1.00 3.13 C ATOM 141 NE2 HIS A 10 -13.984 18.429 -9.693 1.00 31.44 N ATOM 0 H HIS A 10 -15.333 17.072 -5.782 1.00 70.34 H new ATOM 0 HA HIS A 10 -13.873 18.951 -4.237 1.00 24.23 H new ATOM 0 HB2 HIS A 10 -12.813 20.226 -6.002 1.00 5.34 H new ATOM 0 HB3 HIS A 10 -12.186 18.590 -6.029 1.00 5.34 H new ATOM 0 HD1 HIS A 10 -13.525 21.138 -8.203 1.00 44.12 H new ATOM 0 HD2 HIS A 10 -13.623 16.950 -8.114 1.00 34.21 H new ATOM 0 HE1 HIS A 10 -14.148 20.383 -10.551 1.00 3.13 H new ATOM 149 N ILE A 11 -15.623 20.657 -4.845 1.00 5.50 N ATOM 150 CA ILE A 11 -16.797 21.502 -5.021 1.00 11.24 C ATOM 151 C ILE A 11 -16.444 22.976 -4.853 1.00 14.54 C ATOM 152 O ILE A 11 -15.872 23.377 -3.838 1.00 32.34 O ATOM 153 CB ILE A 11 -17.910 21.135 -4.020 1.00 2.10 C ATOM 154 CG1 ILE A 11 -18.405 19.711 -4.276 1.00 71.45 C ATOM 155 CG2 ILE A 11 -19.059 22.127 -4.119 1.00 1.21 C ATOM 156 CD1 ILE A 11 -19.378 19.212 -3.230 1.00 52.23 C ATOM 0 H ILE A 11 -14.957 20.999 -4.152 1.00 5.50 H new ATOM 0 HA ILE A 11 -17.160 21.331 -6.035 1.00 11.24 H new ATOM 0 HB ILE A 11 -17.502 21.182 -3.011 1.00 2.10 H new ATOM 0 HG12 ILE A 11 -18.884 19.672 -5.254 1.00 71.45 H new ATOM 0 HG13 ILE A 11 -17.548 19.038 -4.314 1.00 71.45 H new ATOM 0 HG21 ILE A 11 -19.837 21.855 -3.406 1.00 1.21 H new ATOM 0 HG22 ILE A 11 -18.695 23.129 -3.893 1.00 1.21 H new ATOM 0 HG23 ILE A 11 -19.469 22.109 -5.129 1.00 1.21 H new ATOM 0 HD11 ILE A 11 -19.687 18.196 -3.476 1.00 52.23 H new ATOM 0 HD12 ILE A 11 -18.896 19.218 -2.252 1.00 52.23 H new ATOM 0 HD13 ILE A 11 -20.253 19.862 -3.208 1.00 52.23 H new ATOM 168 N LEU A 12 -16.790 23.779 -5.853 1.00 10.11 N ATOM 169 CA LEU A 12 -16.512 25.211 -5.815 1.00 70.34 C ATOM 170 C LEU A 12 -17.767 26.000 -5.457 1.00 63.24 C ATOM 171 O LEU A 12 -18.883 25.588 -5.772 1.00 21.00 O ATOM 172 CB LEU A 12 -15.969 25.680 -7.167 1.00 63.42 C ATOM 173 CG LEU A 12 -14.447 25.674 -7.318 1.00 32.22 C ATOM 174 CD1 LEU A 12 -13.802 26.561 -6.264 1.00 14.20 C ATOM 175 CD2 LEU A 12 -13.907 24.254 -7.223 1.00 72.11 C ATOM 0 H LEU A 12 -17.263 23.463 -6.700 1.00 10.11 H new ATOM 0 HA LEU A 12 -15.761 25.391 -5.046 1.00 70.34 H new ATOM 0 HB2 LEU A 12 -16.394 25.047 -7.946 1.00 63.42 H new ATOM 0 HB3 LEU A 12 -16.328 26.693 -7.349 1.00 63.42 H new ATOM 0 HG LEU A 12 -14.198 26.072 -8.302 1.00 32.22 H new ATOM 0 HD11 LEU A 12 -12.719 26.544 -6.387 1.00 14.20 H new ATOM 0 HD12 LEU A 12 -14.164 27.583 -6.377 1.00 14.20 H new ATOM 0 HD13 LEU A 12 -14.060 26.193 -5.271 1.00 14.20 H new ATOM 0 HD21 LEU A 12 -12.823 24.269 -7.333 1.00 72.11 H new ATOM 0 HD22 LEU A 12 -14.168 23.830 -6.253 1.00 72.11 H new ATOM 0 HD23 LEU A 12 -14.343 23.645 -8.015 1.00 72.11 H new ATOM 187 N VAL A 13 -17.575 27.139 -4.798 1.00 72.04 N ATOM 188 CA VAL A 13 -18.690 27.989 -4.400 1.00 34.34 C ATOM 189 C VAL A 13 -18.274 29.453 -4.345 1.00 2.52 C ATOM 190 O VAL A 13 -17.146 29.802 -4.696 1.00 41.23 O ATOM 191 CB VAL A 13 -19.250 27.574 -3.026 1.00 24.03 C ATOM 192 CG1 VAL A 13 -19.729 26.130 -3.057 1.00 42.23 C ATOM 193 CG2 VAL A 13 -18.199 27.772 -1.942 1.00 61.45 C ATOM 0 H VAL A 13 -16.657 27.494 -4.529 1.00 72.04 H new ATOM 0 HA VAL A 13 -19.467 27.864 -5.154 1.00 34.34 H new ATOM 0 HB VAL A 13 -20.105 28.210 -2.794 1.00 24.03 H new ATOM 0 HG11 VAL A 13 -20.121 25.856 -2.078 1.00 42.23 H new ATOM 0 HG12 VAL A 13 -20.515 26.023 -3.805 1.00 42.23 H new ATOM 0 HG13 VAL A 13 -18.895 25.475 -3.311 1.00 42.23 H new ATOM 0 HG21 VAL A 13 -18.610 27.474 -0.978 1.00 61.45 H new ATOM 0 HG22 VAL A 13 -17.324 27.162 -2.167 1.00 61.45 H new ATOM 0 HG23 VAL A 13 -17.909 28.822 -1.904 1.00 61.45 H new ATOM 203 N SER A 14 -19.190 30.308 -3.902 1.00 71.21 N ATOM 204 CA SER A 14 -18.918 31.737 -3.804 1.00 14.11 C ATOM 205 C SER A 14 -19.066 32.221 -2.364 1.00 42.43 C ATOM 206 O SER A 14 -18.725 33.360 -2.041 1.00 61.31 O ATOM 207 CB SER A 14 -19.864 32.521 -4.717 1.00 13.30 C ATOM 208 OG SER A 14 -19.432 33.862 -4.868 1.00 63.32 O ATOM 0 H SER A 14 -20.127 30.036 -3.605 1.00 71.21 H new ATOM 0 HA SER A 14 -17.890 31.909 -4.123 1.00 14.11 H new ATOM 0 HB2 SER A 14 -19.914 32.040 -5.694 1.00 13.30 H new ATOM 0 HB3 SER A 14 -20.872 32.505 -4.302 1.00 13.30 H new ATOM 0 HG SER A 14 -19.113 34.202 -4.006 1.00 63.32 H new ATOM 214 N LYS A 15 -19.576 31.348 -1.503 1.00 14.42 N ATOM 215 CA LYS A 15 -19.769 31.683 -0.097 1.00 33.41 C ATOM 216 C LYS A 15 -19.058 30.678 0.803 1.00 2.51 C ATOM 217 O LYS A 15 -19.079 29.476 0.543 1.00 21.22 O ATOM 218 CB LYS A 15 -21.261 31.719 0.241 1.00 63.45 C ATOM 219 CG LYS A 15 -22.045 32.734 -0.574 1.00 44.23 C ATOM 220 CD LYS A 15 -21.483 34.136 -0.406 1.00 10.10 C ATOM 221 CE LYS A 15 -21.577 34.606 1.038 1.00 32.11 C ATOM 222 NZ LYS A 15 -20.239 34.930 1.605 1.00 34.41 N ATOM 0 H LYS A 15 -19.864 30.402 -1.754 1.00 14.42 H new ATOM 0 HA LYS A 15 -19.340 32.670 0.078 1.00 33.41 H new ATOM 0 HB2 LYS A 15 -21.686 30.729 0.078 1.00 63.45 H new ATOM 0 HB3 LYS A 15 -21.380 31.946 1.300 1.00 63.45 H new ATOM 0 HG2 LYS A 15 -22.020 32.454 -1.627 1.00 44.23 H new ATOM 0 HG3 LYS A 15 -23.090 32.720 -0.266 1.00 44.23 H new ATOM 0 HD2 LYS A 15 -20.442 34.153 -0.728 1.00 10.10 H new ATOM 0 HD3 LYS A 15 -22.027 34.827 -1.050 1.00 10.10 H new ATOM 0 HE2 LYS A 15 -22.217 35.487 1.092 1.00 32.11 H new ATOM 0 HE3 LYS A 15 -22.049 33.831 1.642 1.00 32.11 H new ATOM 0 HZ1 LYS A 15 -20.356 35.373 2.539 1.00 34.41 H new ATOM 0 HZ2 LYS A 15 -19.683 34.057 1.703 1.00 34.41 H new ATOM 0 HZ3 LYS A 15 -19.743 35.587 0.970 1.00 34.41 H new ATOM 236 N GLN A 16 -18.431 31.180 1.863 1.00 32.40 N ATOM 237 CA GLN A 16 -17.714 30.325 2.802 1.00 12.23 C ATOM 238 C GLN A 16 -18.663 29.336 3.470 1.00 35.34 C ATOM 239 O GLN A 16 -18.276 28.214 3.801 1.00 41.42 O ATOM 240 CB GLN A 16 -17.012 31.173 3.863 1.00 54.42 C ATOM 241 CG GLN A 16 -17.965 32.015 4.697 1.00 44.25 C ATOM 242 CD GLN A 16 -18.303 31.370 6.026 1.00 73.23 C ATOM 243 OE1 GLN A 16 -19.459 31.039 6.291 1.00 15.33 O ATOM 244 NE2 GLN A 16 -17.295 31.188 6.870 1.00 0.20 N ATOM 0 H GLN A 16 -18.405 32.174 2.093 1.00 32.40 H new ATOM 0 HA GLN A 16 -16.966 29.762 2.244 1.00 12.23 H new ATOM 0 HB2 GLN A 16 -16.446 30.517 4.524 1.00 54.42 H new ATOM 0 HB3 GLN A 16 -16.293 31.830 3.374 1.00 54.42 H new ATOM 0 HG2 GLN A 16 -17.518 32.993 4.875 1.00 44.25 H new ATOM 0 HG3 GLN A 16 -18.884 32.182 4.134 1.00 44.25 H new ATOM 0 HE21 GLN A 16 -16.353 31.478 6.609 1.00 0.20 H new ATOM 0 HE22 GLN A 16 -17.463 30.758 7.780 1.00 0.20 H new ATOM 253 N SER A 17 -19.908 29.758 3.667 1.00 21.23 N ATOM 254 CA SER A 17 -20.911 28.911 4.301 1.00 71.12 C ATOM 255 C SER A 17 -21.375 27.813 3.349 1.00 64.12 C ATOM 256 O SER A 17 -21.847 26.761 3.781 1.00 42.24 O ATOM 257 CB SER A 17 -22.109 29.750 4.751 1.00 52.45 C ATOM 258 OG SER A 17 -21.731 31.097 4.978 1.00 11.22 O ATOM 0 H SER A 17 -20.246 30.682 3.397 1.00 21.23 H new ATOM 0 HA SER A 17 -20.456 28.444 5.174 1.00 71.12 H new ATOM 0 HB2 SER A 17 -22.890 29.711 3.992 1.00 52.45 H new ATOM 0 HB3 SER A 17 -22.530 29.328 5.664 1.00 52.45 H new ATOM 0 HG SER A 17 -21.125 31.142 5.747 1.00 11.22 H new ATOM 264 N GLU A 18 -21.235 28.065 2.051 1.00 12.20 N ATOM 265 CA GLU A 18 -21.640 27.099 1.037 1.00 65.11 C ATOM 266 C GLU A 18 -20.637 25.952 0.947 1.00 45.31 C ATOM 267 O GLU A 18 -21.017 24.785 0.879 1.00 63.31 O ATOM 268 CB GLU A 18 -21.774 27.781 -0.326 1.00 14.14 C ATOM 269 CG GLU A 18 -23.052 28.589 -0.478 1.00 13.22 C ATOM 270 CD GLU A 18 -24.268 27.716 -0.725 1.00 51.55 C ATOM 271 OE1 GLU A 18 -24.582 26.878 0.145 1.00 30.21 O ATOM 272 OE2 GLU A 18 -24.903 27.873 -1.788 1.00 73.45 O ATOM 0 H GLU A 18 -20.844 28.930 1.677 1.00 12.20 H new ATOM 0 HA GLU A 18 -22.608 26.691 1.328 1.00 65.11 H new ATOM 0 HB2 GLU A 18 -20.918 28.438 -0.480 1.00 14.14 H new ATOM 0 HB3 GLU A 18 -21.738 27.022 -1.108 1.00 14.14 H new ATOM 0 HG2 GLU A 18 -23.212 29.182 0.423 1.00 13.22 H new ATOM 0 HG3 GLU A 18 -22.938 29.290 -1.305 1.00 13.22 H new ATOM 279 N ALA A 19 -19.353 26.297 0.947 1.00 70.32 N ATOM 280 CA ALA A 19 -18.295 25.297 0.866 1.00 44.51 C ATOM 281 C ALA A 19 -18.187 24.505 2.166 1.00 40.55 C ATOM 282 O ALA A 19 -18.032 23.284 2.149 1.00 3.21 O ATOM 283 CB ALA A 19 -16.965 25.962 0.540 1.00 70.44 C ATOM 0 H ALA A 19 -19.021 27.260 1.002 1.00 70.32 H new ATOM 0 HA ALA A 19 -18.547 24.601 0.066 1.00 44.51 H new ATOM 0 HB1 ALA A 19 -16.184 25.204 0.482 1.00 70.44 H new ATOM 0 HB2 ALA A 19 -17.041 26.478 -0.417 1.00 70.44 H new ATOM 0 HB3 ALA A 19 -16.716 26.681 1.321 1.00 70.44 H new ATOM 289 N LEU A 20 -18.269 25.208 3.289 1.00 14.40 N ATOM 290 CA LEU A 20 -18.180 24.571 4.599 1.00 51.51 C ATOM 291 C LEU A 20 -19.445 23.777 4.904 1.00 74.11 C ATOM 292 O LEU A 20 -19.466 22.949 5.814 1.00 0.12 O ATOM 293 CB LEU A 20 -17.950 25.623 5.685 1.00 55.23 C ATOM 294 CG LEU A 20 -17.194 25.151 6.927 1.00 23.23 C ATOM 295 CD1 LEU A 20 -16.454 26.312 7.575 1.00 31.33 C ATOM 296 CD2 LEU A 20 -18.149 24.505 7.920 1.00 35.21 C ATOM 0 H LEU A 20 -18.397 26.219 3.320 1.00 14.40 H new ATOM 0 HA LEU A 20 -17.335 23.882 4.585 1.00 51.51 H new ATOM 0 HB2 LEU A 20 -17.402 26.456 5.245 1.00 55.23 H new ATOM 0 HB3 LEU A 20 -18.919 26.010 5.999 1.00 55.23 H new ATOM 0 HG LEU A 20 -16.461 24.405 6.620 1.00 23.23 H new ATOM 0 HD11 LEU A 20 -15.922 25.957 8.457 1.00 31.33 H new ATOM 0 HD12 LEU A 20 -15.741 26.731 6.865 1.00 31.33 H new ATOM 0 HD13 LEU A 20 -17.169 27.081 7.867 1.00 31.33 H new ATOM 0 HD21 LEU A 20 -17.593 24.175 8.798 1.00 35.21 H new ATOM 0 HD22 LEU A 20 -18.906 25.229 8.221 1.00 35.21 H new ATOM 0 HD23 LEU A 20 -18.633 23.647 7.454 1.00 35.21 H new ATOM 308 N ALA A 21 -20.499 24.032 4.135 1.00 72.11 N ATOM 309 CA ALA A 21 -21.767 23.338 4.321 1.00 23.31 C ATOM 310 C ALA A 21 -21.663 21.881 3.884 1.00 34.30 C ATOM 311 O ALA A 21 -22.544 21.071 4.176 1.00 53.42 O ATOM 312 CB ALA A 21 -22.873 24.044 3.551 1.00 20.01 C ATOM 0 H ALA A 21 -20.499 24.715 3.377 1.00 72.11 H new ATOM 0 HA ALA A 21 -22.011 23.356 5.383 1.00 23.31 H new ATOM 0 HB1 ALA A 21 -23.814 23.515 3.699 1.00 20.01 H new ATOM 0 HB2 ALA A 21 -22.972 25.068 3.912 1.00 20.01 H new ATOM 0 HB3 ALA A 21 -22.627 24.056 2.489 1.00 20.01 H new ATOM 318 N ILE A 22 -20.583 21.553 3.183 1.00 1.23 N ATOM 319 CA ILE A 22 -20.366 20.193 2.706 1.00 24.34 C ATOM 320 C ILE A 22 -20.034 19.253 3.860 1.00 35.23 C ATOM 321 O ILE A 22 -20.182 18.036 3.745 1.00 22.03 O ATOM 322 CB ILE A 22 -19.229 20.135 1.669 1.00 64.44 C ATOM 323 CG1 ILE A 22 -19.521 21.086 0.507 1.00 43.22 C ATOM 324 CG2 ILE A 22 -19.047 18.711 1.162 1.00 0.32 C ATOM 325 CD1 ILE A 22 -20.833 20.804 -0.191 1.00 23.04 C ATOM 0 H ILE A 22 -19.845 22.211 2.933 1.00 1.23 H new ATOM 0 HA ILE A 22 -21.294 19.872 2.234 1.00 24.34 H new ATOM 0 HB ILE A 22 -18.303 20.451 2.149 1.00 64.44 H new ATOM 0 HG12 ILE A 22 -19.530 22.110 0.880 1.00 43.22 H new ATOM 0 HG13 ILE A 22 -18.711 21.019 -0.219 1.00 43.22 H new ATOM 0 HG21 ILE A 22 -18.240 18.686 0.430 1.00 0.32 H new ATOM 0 HG22 ILE A 22 -18.799 18.056 1.997 1.00 0.32 H new ATOM 0 HG23 ILE A 22 -19.971 18.370 0.695 1.00 0.32 H new ATOM 0 HD11 ILE A 22 -20.973 21.517 -1.004 1.00 23.04 H new ATOM 0 HD12 ILE A 22 -20.820 19.792 -0.595 1.00 23.04 H new ATOM 0 HD13 ILE A 22 -21.652 20.900 0.522 1.00 23.04 H new ATOM 337 N MET A 23 -19.587 19.825 4.974 1.00 53.22 N ATOM 338 CA MET A 23 -19.238 19.038 6.150 1.00 41.42 C ATOM 339 C MET A 23 -20.398 18.995 7.139 1.00 3.44 C ATOM 340 O MET A 23 -20.499 18.076 7.952 1.00 62.24 O ATOM 341 CB MET A 23 -17.995 19.619 6.828 1.00 75.42 C ATOM 342 CG MET A 23 -16.922 20.066 5.849 1.00 13.20 C ATOM 343 SD MET A 23 -15.503 20.818 6.669 1.00 60.03 S ATOM 344 CE MET A 23 -15.092 19.549 7.864 1.00 1.42 C ATOM 0 H MET A 23 -19.458 20.831 5.086 1.00 53.22 H new ATOM 0 HA MET A 23 -19.023 18.020 5.825 1.00 41.42 H new ATOM 0 HB2 MET A 23 -18.291 20.469 7.443 1.00 75.42 H new ATOM 0 HB3 MET A 23 -17.574 18.870 7.499 1.00 75.42 H new ATOM 0 HG2 MET A 23 -16.587 19.208 5.266 1.00 13.20 H new ATOM 0 HG3 MET A 23 -17.351 20.780 5.147 1.00 13.20 H new ATOM 0 HE1 MET A 23 -14.062 19.682 8.196 1.00 1.42 H new ATOM 0 HE2 MET A 23 -15.762 19.625 8.720 1.00 1.42 H new ATOM 0 HE3 MET A 23 -15.201 18.567 7.404 1.00 1.42 H new ATOM 354 N GLU A 24 -21.270 19.995 7.066 1.00 13.53 N ATOM 355 CA GLU A 24 -22.422 20.071 7.956 1.00 23.24 C ATOM 356 C GLU A 24 -23.631 19.369 7.344 1.00 71.44 C ATOM 357 O GLU A 24 -24.471 18.820 8.056 1.00 75.12 O ATOM 358 CB GLU A 24 -22.765 21.530 8.260 1.00 14.54 C ATOM 359 CG GLU A 24 -23.566 22.208 7.160 1.00 15.42 C ATOM 360 CD GLU A 24 -23.573 23.719 7.292 1.00 52.13 C ATOM 361 OE1 GLU A 24 -22.580 24.276 7.804 1.00 13.44 O ATOM 362 OE2 GLU A 24 -24.574 24.345 6.880 1.00 22.23 O ATOM 0 H GLU A 24 -21.201 20.764 6.399 1.00 13.53 H new ATOM 0 HA GLU A 24 -22.163 19.565 8.886 1.00 23.24 H new ATOM 0 HB2 GLU A 24 -23.331 21.575 9.191 1.00 14.54 H new ATOM 0 HB3 GLU A 24 -21.841 22.086 8.421 1.00 14.54 H new ATOM 0 HG2 GLU A 24 -23.150 21.933 6.191 1.00 15.42 H new ATOM 0 HG3 GLU A 24 -24.592 21.840 7.183 1.00 15.42 H new ATOM 369 N LYS A 25 -23.710 19.392 6.018 1.00 34.40 N ATOM 370 CA LYS A 25 -24.815 18.758 5.307 1.00 61.25 C ATOM 371 C LYS A 25 -24.700 17.237 5.369 1.00 55.43 C ATOM 372 O LYS A 25 -25.596 16.557 5.870 1.00 21.20 O ATOM 373 CB LYS A 25 -24.841 19.219 3.849 1.00 41.25 C ATOM 374 CG LYS A 25 -25.519 20.563 3.648 1.00 71.24 C ATOM 375 CD LYS A 25 -26.063 20.708 2.236 1.00 31.40 C ATOM 376 CE LYS A 25 -27.113 21.805 2.153 1.00 54.22 C ATOM 377 NZ LYS A 25 -27.178 22.410 0.794 1.00 52.11 N ATOM 0 H LYS A 25 -23.023 19.842 5.414 1.00 34.40 H new ATOM 0 HA LYS A 25 -25.745 19.055 5.792 1.00 61.25 H new ATOM 0 HB2 LYS A 25 -23.818 19.278 3.477 1.00 41.25 H new ATOM 0 HB3 LYS A 25 -25.355 18.469 3.249 1.00 41.25 H new ATOM 0 HG2 LYS A 25 -26.333 20.672 4.365 1.00 71.24 H new ATOM 0 HG3 LYS A 25 -24.808 21.364 3.849 1.00 71.24 H new ATOM 0 HD2 LYS A 25 -25.245 20.933 1.551 1.00 31.40 H new ATOM 0 HD3 LYS A 25 -26.498 19.762 1.913 1.00 31.40 H new ATOM 0 HE2 LYS A 25 -28.088 21.395 2.415 1.00 54.22 H new ATOM 0 HE3 LYS A 25 -26.887 22.580 2.885 1.00 54.22 H new ATOM 0 HZ1 LYS A 25 -27.905 23.153 0.779 1.00 52.11 H new ATOM 0 HZ2 LYS A 25 -26.255 22.824 0.554 1.00 52.11 H new ATOM 0 HZ3 LYS A 25 -27.419 21.676 0.098 1.00 52.11 H new ATOM 391 N LEU A 26 -23.593 16.711 4.857 1.00 75.13 N ATOM 392 CA LEU A 26 -23.361 15.271 4.854 1.00 0.53 C ATOM 393 C LEU A 26 -23.420 14.709 6.272 1.00 60.45 C ATOM 394 O LEU A 26 -23.694 13.525 6.470 1.00 72.13 O ATOM 395 CB LEU A 26 -22.004 14.955 4.223 1.00 32.42 C ATOM 396 CG LEU A 26 -21.771 15.511 2.819 1.00 61.25 C ATOM 397 CD1 LEU A 26 -20.317 15.336 2.409 1.00 4.22 C ATOM 398 CD2 LEU A 26 -22.694 14.832 1.816 1.00 14.21 C ATOM 0 H LEU A 26 -22.842 17.260 4.439 1.00 75.13 H new ATOM 0 HA LEU A 26 -24.147 14.801 4.263 1.00 0.53 H new ATOM 0 HB2 LEU A 26 -21.223 15.340 4.879 1.00 32.42 H new ATOM 0 HB3 LEU A 26 -21.886 13.872 4.187 1.00 32.42 H new ATOM 0 HG LEU A 26 -21.999 16.577 2.830 1.00 61.25 H new ATOM 0 HD11 LEU A 26 -20.171 15.738 1.406 1.00 4.22 H new ATOM 0 HD12 LEU A 26 -19.675 15.868 3.111 1.00 4.22 H new ATOM 0 HD13 LEU A 26 -20.062 14.276 2.416 1.00 4.22 H new ATOM 0 HD21 LEU A 26 -22.514 15.240 0.822 1.00 14.21 H new ATOM 0 HD22 LEU A 26 -22.498 13.760 1.809 1.00 14.21 H new ATOM 0 HD23 LEU A 26 -23.732 15.009 2.099 1.00 14.21 H new ATOM 410 N LYS A 27 -23.162 15.565 7.254 1.00 53.15 N ATOM 411 CA LYS A 27 -23.189 15.156 8.653 1.00 64.25 C ATOM 412 C LYS A 27 -24.526 14.514 9.007 1.00 75.03 C ATOM 413 O LYS A 27 -24.605 13.674 9.903 1.00 13.10 O ATOM 414 CB LYS A 27 -22.930 16.359 9.563 1.00 75.03 C ATOM 415 CG LYS A 27 -22.421 15.980 10.943 1.00 42.15 C ATOM 416 CD LYS A 27 -22.035 17.207 11.751 1.00 64.12 C ATOM 417 CE LYS A 27 -23.252 17.862 12.386 1.00 42.55 C ATOM 418 NZ LYS A 27 -23.977 18.737 11.424 1.00 44.24 N ATOM 0 H LYS A 27 -22.932 16.548 7.107 1.00 53.15 H new ATOM 0 HA LYS A 27 -22.401 14.418 8.805 1.00 64.25 H new ATOM 0 HB2 LYS A 27 -22.203 17.016 9.085 1.00 75.03 H new ATOM 0 HB3 LYS A 27 -23.853 16.929 9.669 1.00 75.03 H new ATOM 0 HG2 LYS A 27 -23.191 15.420 11.475 1.00 42.15 H new ATOM 0 HG3 LYS A 27 -21.558 15.321 10.845 1.00 42.15 H new ATOM 0 HD2 LYS A 27 -21.326 16.923 12.529 1.00 64.12 H new ATOM 0 HD3 LYS A 27 -21.530 17.925 11.105 1.00 64.12 H new ATOM 0 HE2 LYS A 27 -23.928 17.091 12.756 1.00 42.55 H new ATOM 0 HE3 LYS A 27 -22.939 18.451 13.248 1.00 42.55 H new ATOM 0 HZ1 LYS A 27 -24.261 19.616 11.901 1.00 44.24 H new ATOM 0 HZ2 LYS A 27 -23.354 18.964 10.623 1.00 44.24 H new ATOM 0 HZ3 LYS A 27 -24.823 18.243 11.075 1.00 44.24 H new ATOM 432 N SER A 28 -25.576 14.916 8.298 1.00 74.12 N ATOM 433 CA SER A 28 -26.912 14.382 8.538 1.00 12.33 C ATOM 434 C SER A 28 -27.086 13.028 7.859 1.00 62.14 C ATOM 435 O SER A 28 -27.890 12.202 8.291 1.00 21.13 O ATOM 436 CB SER A 28 -27.974 15.360 8.033 1.00 40.21 C ATOM 437 OG SER A 28 -29.218 14.707 7.840 1.00 3.51 O ATOM 0 H SER A 28 -25.527 15.610 7.552 1.00 74.12 H new ATOM 0 HA SER A 28 -27.035 14.248 9.613 1.00 12.33 H new ATOM 0 HB2 SER A 28 -28.094 16.173 8.749 1.00 40.21 H new ATOM 0 HB3 SER A 28 -27.645 15.807 7.095 1.00 40.21 H new ATOM 0 HG SER A 28 -29.412 14.650 6.881 1.00 3.51 H new ATOM 443 N GLY A 29 -26.326 12.806 6.791 1.00 42.23 N ATOM 444 CA GLY A 29 -26.411 11.551 6.067 1.00 61.31 C ATOM 445 C GLY A 29 -26.743 11.748 4.601 1.00 13.32 C ATOM 446 O GLY A 29 -27.348 10.879 3.974 1.00 4.21 O ATOM 0 H GLY A 29 -25.653 13.473 6.414 1.00 42.23 H new ATOM 0 HA2 GLY A 29 -25.463 11.020 6.153 1.00 61.31 H new ATOM 0 HA3 GLY A 29 -27.172 10.921 6.527 1.00 61.31 H new ATOM 450 N GLU A 30 -26.349 12.894 4.056 1.00 60.04 N ATOM 451 CA GLU A 30 -26.612 13.202 2.654 1.00 14.32 C ATOM 452 C GLU A 30 -25.506 12.650 1.760 1.00 53.53 C ATOM 453 O GLU A 30 -24.672 11.858 2.199 1.00 15.34 O ATOM 454 CB GLU A 30 -26.736 14.715 2.457 1.00 71.03 C ATOM 455 CG GLU A 30 -27.499 15.413 3.570 1.00 74.12 C ATOM 456 CD GLU A 30 -28.889 14.840 3.773 1.00 42.43 C ATOM 457 OE1 GLU A 30 -29.543 14.502 2.765 1.00 53.44 O ATOM 458 OE2 GLU A 30 -29.322 14.731 4.939 1.00 0.53 O ATOM 0 H GLU A 30 -25.847 13.624 4.562 1.00 60.04 H new ATOM 0 HA GLU A 30 -27.553 12.728 2.373 1.00 14.32 H new ATOM 0 HB2 GLU A 30 -25.738 15.147 2.386 1.00 71.03 H new ATOM 0 HB3 GLU A 30 -27.236 14.910 1.508 1.00 71.03 H new ATOM 0 HG2 GLU A 30 -26.936 15.329 4.500 1.00 74.12 H new ATOM 0 HG3 GLU A 30 -27.578 16.476 3.340 1.00 74.12 H new ATOM 465 N LYS A 31 -25.506 13.075 0.501 1.00 41.55 N ATOM 466 CA LYS A 31 -24.503 12.626 -0.458 1.00 73.44 C ATOM 467 C LYS A 31 -23.660 13.796 -0.952 1.00 45.22 C ATOM 468 O LYS A 31 -24.188 14.853 -1.298 1.00 44.32 O ATOM 469 CB LYS A 31 -25.178 11.933 -1.645 1.00 3.32 C ATOM 470 CG LYS A 31 -24.282 10.930 -2.353 1.00 43.43 C ATOM 471 CD LYS A 31 -25.005 9.618 -2.605 1.00 70.12 C ATOM 472 CE LYS A 31 -24.765 8.625 -1.477 1.00 54.32 C ATOM 473 NZ LYS A 31 -23.353 8.158 -1.440 1.00 45.11 N ATOM 0 H LYS A 31 -26.189 13.730 0.121 1.00 41.55 H new ATOM 0 HA LYS A 31 -23.847 11.916 0.046 1.00 73.44 H new ATOM 0 HB2 LYS A 31 -26.075 11.423 -1.295 1.00 3.32 H new ATOM 0 HB3 LYS A 31 -25.500 12.689 -2.361 1.00 3.32 H new ATOM 0 HG2 LYS A 31 -23.944 11.348 -3.301 1.00 43.43 H new ATOM 0 HG3 LYS A 31 -23.392 10.746 -1.750 1.00 43.43 H new ATOM 0 HD2 LYS A 31 -26.074 9.804 -2.706 1.00 70.12 H new ATOM 0 HD3 LYS A 31 -24.665 9.189 -3.548 1.00 70.12 H new ATOM 0 HE2 LYS A 31 -25.019 9.090 -0.524 1.00 54.32 H new ATOM 0 HE3 LYS A 31 -25.428 7.768 -1.600 1.00 54.32 H new ATOM 0 HZ1 LYS A 31 -23.304 7.239 -0.955 1.00 45.11 H new ATOM 0 HZ2 LYS A 31 -22.995 8.056 -2.411 1.00 45.11 H new ATOM 0 HZ3 LYS A 31 -22.771 8.852 -0.928 1.00 45.11 H new ATOM 487 N PHE A 32 -22.346 13.600 -0.984 1.00 44.22 N ATOM 488 CA PHE A 32 -21.429 14.640 -1.436 1.00 4.10 C ATOM 489 C PHE A 32 -21.843 15.174 -2.804 1.00 52.35 C ATOM 490 O PHE A 32 -21.814 16.380 -3.047 1.00 72.03 O ATOM 491 CB PHE A 32 -19.999 14.097 -1.500 1.00 73.25 C ATOM 492 CG PHE A 32 -18.988 15.118 -1.936 1.00 14.44 C ATOM 493 CD1 PHE A 32 -18.801 15.399 -3.279 1.00 70.15 C ATOM 494 CD2 PHE A 32 -18.226 15.800 -1.000 1.00 41.42 C ATOM 495 CE1 PHE A 32 -17.871 16.339 -3.682 1.00 22.40 C ATOM 496 CE2 PHE A 32 -17.294 16.741 -1.398 1.00 34.43 C ATOM 497 CZ PHE A 32 -17.117 17.011 -2.740 1.00 54.14 C ATOM 0 H PHE A 32 -21.892 12.731 -0.702 1.00 44.22 H new ATOM 0 HA PHE A 32 -21.468 15.460 -0.718 1.00 4.10 H new ATOM 0 HB2 PHE A 32 -19.719 13.717 -0.517 1.00 73.25 H new ATOM 0 HB3 PHE A 32 -19.970 13.252 -2.188 1.00 73.25 H new ATOM 0 HD1 PHE A 32 -19.389 14.878 -4.020 1.00 70.15 H new ATOM 0 HD2 PHE A 32 -18.362 15.594 0.051 1.00 41.42 H new ATOM 0 HE1 PHE A 32 -17.734 16.548 -4.733 1.00 22.40 H new ATOM 0 HE2 PHE A 32 -16.705 17.264 -0.659 1.00 34.43 H new ATOM 0 HZ PHE A 32 -16.390 17.746 -3.053 1.00 54.14 H new ATOM 507 N GLY A 33 -22.228 14.265 -3.696 1.00 13.51 N ATOM 508 CA GLY A 33 -22.643 14.663 -5.028 1.00 13.50 C ATOM 509 C GLY A 33 -23.914 15.489 -5.017 1.00 73.12 C ATOM 510 O GLY A 33 -24.135 16.314 -5.904 1.00 71.25 O ATOM 0 H GLY A 33 -22.260 13.261 -3.519 1.00 13.51 H new ATOM 0 HA2 GLY A 33 -21.844 15.237 -5.498 1.00 13.50 H new ATOM 0 HA3 GLY A 33 -22.797 13.773 -5.638 1.00 13.50 H new ATOM 514 N LYS A 34 -24.754 15.267 -4.013 1.00 32.14 N ATOM 515 CA LYS A 34 -26.010 15.996 -3.889 1.00 11.51 C ATOM 516 C LYS A 34 -25.764 17.501 -3.837 1.00 31.23 C ATOM 517 O LYS A 34 -26.648 18.296 -4.157 1.00 11.40 O ATOM 518 CB LYS A 34 -26.763 15.548 -2.634 1.00 51.21 C ATOM 519 CG LYS A 34 -28.273 15.635 -2.767 1.00 72.31 C ATOM 520 CD LYS A 34 -28.972 15.173 -1.499 1.00 3.40 C ATOM 521 CE LYS A 34 -29.095 16.304 -0.488 1.00 63.11 C ATOM 522 NZ LYS A 34 -30.169 16.041 0.510 1.00 73.05 N ATOM 0 H LYS A 34 -24.587 14.587 -3.272 1.00 32.14 H new ATOM 0 HA LYS A 34 -26.617 15.775 -4.767 1.00 11.51 H new ATOM 0 HB2 LYS A 34 -26.486 14.520 -2.402 1.00 51.21 H new ATOM 0 HB3 LYS A 34 -26.445 16.162 -1.791 1.00 51.21 H new ATOM 0 HG2 LYS A 34 -28.561 16.663 -2.989 1.00 72.31 H new ATOM 0 HG3 LYS A 34 -28.601 15.024 -3.608 1.00 72.31 H new ATOM 0 HD2 LYS A 34 -29.964 14.795 -1.746 1.00 3.40 H new ATOM 0 HD3 LYS A 34 -28.416 14.346 -1.056 1.00 3.40 H new ATOM 0 HE2 LYS A 34 -28.144 16.435 0.028 1.00 63.11 H new ATOM 0 HE3 LYS A 34 -29.305 17.237 -1.011 1.00 63.11 H new ATOM 0 HZ1 LYS A 34 -30.503 16.943 0.907 1.00 73.05 H new ATOM 0 HZ2 LYS A 34 -30.961 15.552 0.047 1.00 73.05 H new ATOM 0 HZ3 LYS A 34 -29.794 15.444 1.275 1.00 73.05 H new ATOM 536 N LEU A 35 -24.558 17.885 -3.433 1.00 63.43 N ATOM 537 CA LEU A 35 -24.194 19.294 -3.341 1.00 64.42 C ATOM 538 C LEU A 35 -23.204 19.674 -4.439 1.00 14.14 C ATOM 539 O LEU A 35 -23.094 20.841 -4.811 1.00 44.13 O ATOM 540 CB LEU A 35 -23.591 19.597 -1.969 1.00 32.22 C ATOM 541 CG LEU A 35 -24.211 18.853 -0.784 1.00 53.45 C ATOM 542 CD1 LEU A 35 -23.547 19.275 0.517 1.00 5.40 C ATOM 543 CD2 LEU A 35 -25.711 19.102 -0.725 1.00 24.41 C ATOM 0 H LEU A 35 -23.815 17.240 -3.164 1.00 63.43 H new ATOM 0 HA LEU A 35 -25.099 19.887 -3.472 1.00 64.42 H new ATOM 0 HB2 LEU A 35 -22.527 19.363 -2.002 1.00 32.22 H new ATOM 0 HB3 LEU A 35 -23.677 20.668 -1.785 1.00 32.22 H new ATOM 0 HG LEU A 35 -24.045 17.785 -0.922 1.00 53.45 H new ATOM 0 HD11 LEU A 35 -24.001 18.736 1.349 1.00 5.40 H new ATOM 0 HD12 LEU A 35 -22.482 19.045 0.473 1.00 5.40 H new ATOM 0 HD13 LEU A 35 -23.681 20.347 0.663 1.00 5.40 H new ATOM 0 HD21 LEU A 35 -26.136 18.566 0.123 1.00 24.41 H new ATOM 0 HD22 LEU A 35 -25.898 20.170 -0.610 1.00 24.41 H new ATOM 0 HD23 LEU A 35 -26.175 18.749 -1.646 1.00 24.41 H new ATOM 555 N ALA A 36 -22.490 18.679 -4.954 1.00 64.05 N ATOM 556 CA ALA A 36 -21.513 18.909 -6.011 1.00 63.43 C ATOM 557 C ALA A 36 -22.201 19.192 -7.342 1.00 13.20 C ATOM 558 O ALA A 36 -21.616 19.800 -8.239 1.00 50.31 O ATOM 559 CB ALA A 36 -20.584 17.711 -6.141 1.00 63.11 C ATOM 0 H ALA A 36 -22.570 17.707 -4.657 1.00 64.05 H new ATOM 0 HA ALA A 36 -20.923 19.785 -5.742 1.00 63.43 H new ATOM 0 HB1 ALA A 36 -19.860 17.897 -6.934 1.00 63.11 H new ATOM 0 HB2 ALA A 36 -20.059 17.554 -5.199 1.00 63.11 H new ATOM 0 HB3 ALA A 36 -21.167 16.823 -6.383 1.00 63.11 H new ATOM 565 N LYS A 37 -23.448 18.748 -7.465 1.00 51.32 N ATOM 566 CA LYS A 37 -24.217 18.955 -8.686 1.00 31.01 C ATOM 567 C LYS A 37 -25.066 20.219 -8.587 1.00 63.32 C ATOM 568 O LYS A 37 -26.008 20.405 -9.357 1.00 10.12 O ATOM 569 CB LYS A 37 -25.115 17.745 -8.959 1.00 5.34 C ATOM 570 CG LYS A 37 -25.683 17.714 -10.367 1.00 54.51 C ATOM 571 CD LYS A 37 -25.858 16.291 -10.867 1.00 64.41 C ATOM 572 CE LYS A 37 -26.692 16.244 -12.137 1.00 52.13 C ATOM 573 NZ LYS A 37 -27.216 14.876 -12.407 1.00 43.44 N ATOM 0 H LYS A 37 -23.947 18.242 -6.733 1.00 51.32 H new ATOM 0 HA LYS A 37 -23.515 19.073 -9.512 1.00 31.01 H new ATOM 0 HB2 LYS A 37 -24.544 16.833 -8.787 1.00 5.34 H new ATOM 0 HB3 LYS A 37 -25.938 17.745 -8.244 1.00 5.34 H new ATOM 0 HG2 LYS A 37 -26.645 18.227 -10.384 1.00 54.51 H new ATOM 0 HG3 LYS A 37 -25.020 18.258 -11.040 1.00 54.51 H new ATOM 0 HD2 LYS A 37 -24.880 15.848 -11.056 1.00 64.41 H new ATOM 0 HD3 LYS A 37 -26.336 15.689 -10.094 1.00 64.41 H new ATOM 0 HE2 LYS A 37 -27.525 16.941 -12.050 1.00 52.13 H new ATOM 0 HE3 LYS A 37 -26.087 16.574 -12.981 1.00 52.13 H new ATOM 0 HZ1 LYS A 37 -27.779 14.886 -13.281 1.00 43.44 H new ATOM 0 HZ2 LYS A 37 -26.421 14.215 -12.515 1.00 43.44 H new ATOM 0 HZ3 LYS A 37 -27.815 14.571 -11.613 1.00 43.44 H new ATOM 587 N GLU A 38 -24.723 21.082 -7.637 1.00 13.30 N ATOM 588 CA GLU A 38 -25.455 22.329 -7.440 1.00 61.11 C ATOM 589 C GLU A 38 -24.518 23.443 -6.981 1.00 45.15 C ATOM 590 O GLU A 38 -24.347 24.449 -7.671 1.00 2.20 O ATOM 591 CB GLU A 38 -26.572 22.133 -6.413 1.00 41.41 C ATOM 592 CG GLU A 38 -27.626 21.127 -6.845 1.00 12.23 C ATOM 593 CD GLU A 38 -28.500 21.644 -7.971 1.00 2.23 C ATOM 594 OE1 GLU A 38 -28.222 22.751 -8.477 1.00 73.11 O ATOM 595 OE2 GLU A 38 -29.462 20.941 -8.344 1.00 51.53 O ATOM 0 H GLU A 38 -23.945 20.942 -6.993 1.00 13.30 H new ATOM 0 HA GLU A 38 -25.895 22.617 -8.395 1.00 61.11 H new ATOM 0 HB2 GLU A 38 -26.134 21.805 -5.470 1.00 41.41 H new ATOM 0 HB3 GLU A 38 -27.053 23.093 -6.224 1.00 41.41 H new ATOM 0 HG2 GLU A 38 -27.136 20.207 -7.164 1.00 12.23 H new ATOM 0 HG3 GLU A 38 -28.253 20.874 -5.990 1.00 12.23 H new ATOM 602 N LEU A 39 -23.913 23.255 -5.814 1.00 43.23 N ATOM 603 CA LEU A 39 -22.993 24.244 -5.262 1.00 25.01 C ATOM 604 C LEU A 39 -21.818 24.482 -6.206 1.00 33.32 C ATOM 605 O LEU A 39 -21.397 25.620 -6.414 1.00 25.33 O ATOM 606 CB LEU A 39 -22.479 23.785 -3.896 1.00 25.10 C ATOM 607 CG LEU A 39 -23.521 23.705 -2.780 1.00 3.12 C ATOM 608 CD1 LEU A 39 -22.907 23.119 -1.518 1.00 10.11 C ATOM 609 CD2 LEU A 39 -24.110 25.080 -2.500 1.00 13.10 C ATOM 0 H LEU A 39 -24.042 22.428 -5.232 1.00 43.23 H new ATOM 0 HA LEU A 39 -23.536 25.182 -5.143 1.00 25.01 H new ATOM 0 HB2 LEU A 39 -22.025 22.801 -4.013 1.00 25.10 H new ATOM 0 HB3 LEU A 39 -21.689 24.466 -3.580 1.00 25.10 H new ATOM 0 HG LEU A 39 -24.326 23.047 -3.107 1.00 3.12 H new ATOM 0 HD11 LEU A 39 -23.663 23.070 -0.735 1.00 10.11 H new ATOM 0 HD12 LEU A 39 -22.535 22.116 -1.726 1.00 10.11 H new ATOM 0 HD13 LEU A 39 -22.083 23.751 -1.187 1.00 10.11 H new ATOM 0 HD21 LEU A 39 -24.850 25.004 -1.703 1.00 13.10 H new ATOM 0 HD22 LEU A 39 -23.316 25.761 -2.194 1.00 13.10 H new ATOM 0 HD23 LEU A 39 -24.587 25.462 -3.402 1.00 13.10 H new ATOM 621 N SER A 40 -21.296 23.400 -6.775 1.00 45.45 N ATOM 622 CA SER A 40 -20.168 23.491 -7.697 1.00 34.22 C ATOM 623 C SER A 40 -20.450 24.504 -8.802 1.00 73.41 C ATOM 624 O SER A 40 -21.184 24.218 -9.749 1.00 24.22 O ATOM 625 CB SER A 40 -19.871 22.120 -8.309 1.00 3.52 C ATOM 626 OG SER A 40 -18.520 22.030 -8.727 1.00 1.44 O ATOM 0 H SER A 40 -21.635 22.451 -6.615 1.00 45.45 H new ATOM 0 HA SER A 40 -19.297 23.827 -7.135 1.00 34.22 H new ATOM 0 HB2 SER A 40 -20.082 21.339 -7.579 1.00 3.52 H new ATOM 0 HB3 SER A 40 -20.530 21.947 -9.160 1.00 3.52 H new ATOM 0 HG SER A 40 -18.355 21.144 -9.113 1.00 1.44 H new ATOM 632 N ILE A 41 -19.862 25.688 -8.674 1.00 41.21 N ATOM 633 CA ILE A 41 -20.048 26.744 -9.662 1.00 72.23 C ATOM 634 C ILE A 41 -19.262 26.449 -10.936 1.00 52.21 C ATOM 635 O ILE A 41 -19.593 26.951 -12.011 1.00 70.11 O ATOM 636 CB ILE A 41 -19.615 28.114 -9.111 1.00 3.21 C ATOM 637 CG1 ILE A 41 -18.178 28.047 -8.589 1.00 45.44 C ATOM 638 CG2 ILE A 41 -20.563 28.566 -8.010 1.00 3.54 C ATOM 639 CD1 ILE A 41 -17.315 29.205 -9.042 1.00 54.24 C ATOM 0 H ILE A 41 -19.253 25.941 -7.896 1.00 41.21 H new ATOM 0 HA ILE A 41 -21.113 26.775 -9.893 1.00 72.23 H new ATOM 0 HB ILE A 41 -19.655 28.843 -9.920 1.00 3.21 H new ATOM 0 HG12 ILE A 41 -18.197 28.023 -7.499 1.00 45.44 H new ATOM 0 HG13 ILE A 41 -17.723 27.114 -8.921 1.00 45.44 H new ATOM 0 HG21 ILE A 41 -20.243 29.537 -7.630 1.00 3.54 H new ATOM 0 HG22 ILE A 41 -21.573 28.648 -8.411 1.00 3.54 H new ATOM 0 HG23 ILE A 41 -20.552 27.838 -7.199 1.00 3.54 H new ATOM 0 HD11 ILE A 41 -16.310 29.091 -8.634 1.00 54.24 H new ATOM 0 HD12 ILE A 41 -17.265 29.218 -10.131 1.00 54.24 H new ATOM 0 HD13 ILE A 41 -17.747 30.141 -8.687 1.00 54.24 H new ATOM 651 N ASP A 42 -18.223 25.633 -10.808 1.00 13.24 N ATOM 652 CA ASP A 42 -17.392 25.269 -11.949 1.00 23.11 C ATOM 653 C ASP A 42 -18.213 24.544 -13.010 1.00 52.12 C ATOM 654 O ASP A 42 -18.885 23.554 -12.721 1.00 50.34 O ATOM 655 CB ASP A 42 -16.226 24.386 -11.497 1.00 72.03 C ATOM 656 CG ASP A 42 -15.419 23.852 -12.664 1.00 2.41 C ATOM 657 OD1 ASP A 42 -15.776 22.778 -13.190 1.00 34.42 O ATOM 658 OD2 ASP A 42 -14.429 24.508 -13.051 1.00 23.14 O ATOM 0 H ASP A 42 -17.936 25.211 -9.925 1.00 13.24 H new ATOM 0 HA ASP A 42 -16.996 26.186 -12.386 1.00 23.11 H new ATOM 0 HB2 ASP A 42 -15.573 24.960 -10.840 1.00 72.03 H new ATOM 0 HB3 ASP A 42 -16.612 23.550 -10.913 1.00 72.03 H new ATOM 663 N SER A 43 -18.154 25.044 -14.241 1.00 42.21 N ATOM 664 CA SER A 43 -18.896 24.447 -15.344 1.00 74.45 C ATOM 665 C SER A 43 -18.068 23.368 -16.036 1.00 30.23 C ATOM 666 O SER A 43 -17.554 23.573 -17.136 1.00 11.11 O ATOM 667 CB SER A 43 -19.300 25.522 -16.356 1.00 11.01 C ATOM 668 OG SER A 43 -20.412 25.104 -17.127 1.00 74.14 O ATOM 0 H SER A 43 -17.600 25.861 -14.498 1.00 42.21 H new ATOM 0 HA SER A 43 -19.795 23.985 -14.936 1.00 74.45 H new ATOM 0 HB2 SER A 43 -19.544 26.446 -15.832 1.00 11.01 H new ATOM 0 HB3 SER A 43 -18.459 25.741 -17.014 1.00 11.01 H new ATOM 0 HG SER A 43 -20.651 25.809 -17.765 1.00 74.14 H new ATOM 674 N GLY A 44 -17.942 22.217 -15.382 1.00 10.41 N ATOM 675 CA GLY A 44 -17.175 21.123 -15.948 1.00 21.53 C ATOM 676 C GLY A 44 -17.197 19.886 -15.071 1.00 64.25 C ATOM 677 O GLY A 44 -17.068 18.766 -15.564 1.00 71.45 O ATOM 0 H GLY A 44 -18.357 22.023 -14.471 1.00 10.41 H new ATOM 0 HA2 GLY A 44 -17.573 20.875 -16.932 1.00 21.53 H new ATOM 0 HA3 GLY A 44 -16.143 21.443 -16.093 1.00 21.53 H new ATOM 681 N SER A 45 -17.359 20.089 -13.768 1.00 2.41 N ATOM 682 CA SER A 45 -17.391 18.982 -12.820 1.00 70.31 C ATOM 683 C SER A 45 -18.735 18.921 -12.100 1.00 42.41 C ATOM 684 O SER A 45 -19.046 17.942 -11.422 1.00 51.24 O ATOM 685 CB SER A 45 -16.260 19.122 -11.801 1.00 24.12 C ATOM 686 OG SER A 45 -15.026 19.392 -12.442 1.00 62.45 O ATOM 0 H SER A 45 -17.470 21.010 -13.344 1.00 2.41 H new ATOM 0 HA SER A 45 -17.255 18.055 -13.378 1.00 70.31 H new ATOM 0 HB2 SER A 45 -16.494 19.925 -11.102 1.00 24.12 H new ATOM 0 HB3 SER A 45 -16.177 18.205 -11.217 1.00 24.12 H new ATOM 0 HG SER A 45 -14.439 18.611 -12.365 1.00 62.45 H new ATOM 692 N ALA A 46 -19.528 19.977 -12.252 1.00 44.22 N ATOM 693 CA ALA A 46 -20.839 20.046 -11.619 1.00 23.32 C ATOM 694 C ALA A 46 -21.797 19.027 -12.229 1.00 11.11 C ATOM 695 O ALA A 46 -22.884 18.789 -11.702 1.00 34.22 O ATOM 696 CB ALA A 46 -21.411 21.450 -11.741 1.00 14.21 C ATOM 0 H ALA A 46 -19.285 20.797 -12.808 1.00 44.22 H new ATOM 0 HA ALA A 46 -20.718 19.806 -10.563 1.00 23.32 H new ATOM 0 HB1 ALA A 46 -22.390 21.487 -11.264 1.00 14.21 H new ATOM 0 HB2 ALA A 46 -20.743 22.159 -11.252 1.00 14.21 H new ATOM 0 HB3 ALA A 46 -21.511 21.712 -12.794 1.00 14.21 H new ATOM 702 N LYS A 47 -21.388 18.430 -13.342 1.00 25.40 N ATOM 703 CA LYS A 47 -22.208 17.436 -14.025 1.00 3.11 C ATOM 704 C LYS A 47 -21.823 16.025 -13.595 1.00 23.41 C ATOM 705 O LYS A 47 -22.556 15.067 -13.842 1.00 72.53 O ATOM 706 CB LYS A 47 -22.061 17.578 -15.541 1.00 21.33 C ATOM 707 CG LYS A 47 -23.245 17.034 -16.320 1.00 33.20 C ATOM 708 CD LYS A 47 -22.935 16.928 -17.804 1.00 34.10 C ATOM 709 CE LYS A 47 -24.208 16.861 -18.636 1.00 10.20 C ATOM 710 NZ LYS A 47 -24.986 18.128 -18.563 1.00 3.31 N ATOM 0 H LYS A 47 -20.492 18.617 -13.792 1.00 25.40 H new ATOM 0 HA LYS A 47 -23.249 17.609 -13.750 1.00 3.11 H new ATOM 0 HB2 LYS A 47 -21.928 18.631 -15.788 1.00 21.33 H new ATOM 0 HB3 LYS A 47 -21.157 17.059 -15.860 1.00 21.33 H new ATOM 0 HG2 LYS A 47 -23.516 16.052 -15.933 1.00 33.20 H new ATOM 0 HG3 LYS A 47 -24.108 17.684 -16.173 1.00 33.20 H new ATOM 0 HD2 LYS A 47 -22.341 17.787 -18.115 1.00 34.10 H new ATOM 0 HD3 LYS A 47 -22.331 16.039 -17.988 1.00 34.10 H new ATOM 0 HE2 LYS A 47 -23.952 16.651 -19.675 1.00 10.20 H new ATOM 0 HE3 LYS A 47 -24.827 16.034 -18.287 1.00 10.20 H new ATOM 0 HZ1 LYS A 47 -25.588 18.215 -19.407 1.00 3.31 H new ATOM 0 HZ2 LYS A 47 -25.583 18.120 -17.712 1.00 3.31 H new ATOM 0 HZ3 LYS A 47 -24.332 18.935 -18.520 1.00 3.31 H new ATOM 724 N LYS A 48 -20.667 15.901 -12.949 1.00 54.32 N ATOM 725 CA LYS A 48 -20.185 14.608 -12.482 1.00 71.11 C ATOM 726 C LYS A 48 -20.079 14.583 -10.960 1.00 43.11 C ATOM 727 O LYS A 48 -19.310 13.807 -10.395 1.00 71.01 O ATOM 728 CB LYS A 48 -18.823 14.293 -13.104 1.00 41.31 C ATOM 729 CG LYS A 48 -18.001 15.530 -13.425 1.00 64.55 C ATOM 730 CD LYS A 48 -18.293 16.045 -14.825 1.00 24.33 C ATOM 731 CE LYS A 48 -17.177 15.686 -15.795 1.00 31.43 C ATOM 732 NZ LYS A 48 -15.868 16.254 -15.368 1.00 64.45 N ATOM 0 H LYS A 48 -20.047 16.683 -12.737 1.00 54.32 H new ATOM 0 HA LYS A 48 -20.903 13.848 -12.791 1.00 71.11 H new ATOM 0 HB2 LYS A 48 -18.258 13.659 -12.420 1.00 41.31 H new ATOM 0 HB3 LYS A 48 -18.974 13.720 -14.019 1.00 41.31 H new ATOM 0 HG2 LYS A 48 -18.218 16.311 -12.696 1.00 64.55 H new ATOM 0 HG3 LYS A 48 -16.940 15.296 -13.336 1.00 64.55 H new ATOM 0 HD2 LYS A 48 -19.234 15.625 -15.180 1.00 24.33 H new ATOM 0 HD3 LYS A 48 -18.418 17.127 -14.797 1.00 24.33 H new ATOM 0 HE2 LYS A 48 -17.095 14.602 -15.870 1.00 31.43 H new ATOM 0 HE3 LYS A 48 -17.427 16.056 -16.789 1.00 31.43 H new ATOM 0 HZ1 LYS A 48 -15.206 16.243 -16.170 1.00 64.45 H new ATOM 0 HZ2 LYS A 48 -16.003 17.233 -15.044 1.00 64.45 H new ATOM 0 HZ3 LYS A 48 -15.479 15.683 -14.591 1.00 64.45 H new ATOM 746 N ASN A 49 -20.857 15.437 -10.304 1.00 11.30 N ATOM 747 CA ASN A 49 -20.851 15.513 -8.848 1.00 25.24 C ATOM 748 C ASN A 49 -19.456 15.844 -8.326 1.00 2.30 C ATOM 749 O ASN A 49 -19.056 15.386 -7.256 1.00 14.44 O ATOM 750 CB ASN A 49 -21.331 14.190 -8.245 1.00 52.33 C ATOM 751 CG ASN A 49 -22.774 13.885 -8.600 1.00 71.32 C ATOM 752 OD1 ASN A 49 -23.056 12.946 -9.346 1.00 43.23 O ATOM 753 ND2 ASN A 49 -23.696 14.677 -8.067 1.00 50.41 N ATOM 0 H ASN A 49 -21.500 16.086 -10.758 1.00 11.30 H new ATOM 0 HA ASN A 49 -21.531 16.310 -8.548 1.00 25.24 H new ATOM 0 HB2 ASN A 49 -20.693 13.380 -8.598 1.00 52.33 H new ATOM 0 HB3 ASN A 49 -21.226 14.228 -7.161 1.00 52.33 H new ATOM 0 HD21 ASN A 49 -24.683 14.519 -8.270 1.00 50.41 H new ATOM 0 HD22 ASN A 49 -23.418 15.443 -7.454 1.00 50.41 H new ATOM 760 N GLY A 50 -18.719 16.644 -9.090 1.00 61.34 N ATOM 761 CA GLY A 50 -17.377 17.023 -8.689 1.00 43.34 C ATOM 762 C GLY A 50 -16.518 15.826 -8.332 1.00 43.51 C ATOM 763 O GLY A 50 -15.594 15.936 -7.527 1.00 73.33 O ATOM 0 H GLY A 50 -19.027 17.036 -9.980 1.00 61.34 H new ATOM 0 HA2 GLY A 50 -16.903 17.578 -9.498 1.00 43.34 H new ATOM 0 HA3 GLY A 50 -17.433 17.694 -7.832 1.00 43.34 H new ATOM 767 N ASN A 51 -16.824 14.680 -8.932 1.00 41.44 N ATOM 768 CA ASN A 51 -16.074 13.458 -8.671 1.00 33.24 C ATOM 769 C ASN A 51 -14.989 13.249 -9.723 1.00 45.35 C ATOM 770 O ASN A 51 -15.158 12.464 -10.658 1.00 25.34 O ATOM 771 CB ASN A 51 -17.016 12.252 -8.648 1.00 52.11 C ATOM 772 CG ASN A 51 -16.411 11.059 -7.933 1.00 14.32 C ATOM 773 OD1 ASN A 51 -16.656 10.842 -6.746 1.00 71.14 O ATOM 774 ND2 ASN A 51 -15.615 10.278 -8.654 1.00 54.55 N ATOM 0 H ASN A 51 -17.586 14.573 -9.602 1.00 41.44 H new ATOM 0 HA ASN A 51 -15.596 13.557 -7.697 1.00 33.24 H new ATOM 0 HB2 ASN A 51 -17.948 12.532 -8.157 1.00 52.11 H new ATOM 0 HB3 ASN A 51 -17.266 11.970 -9.671 1.00 52.11 H new ATOM 0 HD21 ASN A 51 -15.179 9.461 -8.227 1.00 54.55 H new ATOM 0 HD22 ASN A 51 -15.440 10.495 -9.635 1.00 54.55 H new ATOM 781 N LEU A 52 -13.876 13.957 -9.565 1.00 23.41 N ATOM 782 CA LEU A 52 -12.762 13.849 -10.501 1.00 41.21 C ATOM 783 C LEU A 52 -12.154 12.451 -10.466 1.00 61.01 C ATOM 784 O LEU A 52 -11.397 12.069 -11.358 1.00 32.34 O ATOM 785 CB LEU A 52 -11.691 14.891 -10.172 1.00 54.52 C ATOM 786 CG LEU A 52 -11.191 14.906 -8.728 1.00 3.13 C ATOM 787 CD1 LEU A 52 -10.064 13.901 -8.544 1.00 2.13 C ATOM 788 CD2 LEU A 52 -10.730 16.303 -8.337 1.00 71.34 C ATOM 0 H LEU A 52 -13.721 14.612 -8.798 1.00 23.41 H new ATOM 0 HA LEU A 52 -13.145 14.034 -11.505 1.00 41.21 H new ATOM 0 HB2 LEU A 52 -10.837 14.725 -10.829 1.00 54.52 H new ATOM 0 HB3 LEU A 52 -12.088 15.878 -10.408 1.00 54.52 H new ATOM 0 HG LEU A 52 -12.016 14.621 -8.075 1.00 3.13 H new ATOM 0 HD11 LEU A 52 -9.720 13.925 -7.510 1.00 2.13 H new ATOM 0 HD12 LEU A 52 -10.426 12.901 -8.783 1.00 2.13 H new ATOM 0 HD13 LEU A 52 -9.237 14.156 -9.207 1.00 2.13 H new ATOM 0 HD21 LEU A 52 -10.377 16.294 -7.306 1.00 71.34 H new ATOM 0 HD22 LEU A 52 -9.919 16.616 -8.995 1.00 71.34 H new ATOM 0 HD23 LEU A 52 -11.563 17.000 -8.430 1.00 71.34 H new ATOM 800 N GLY A 53 -12.491 11.690 -9.429 1.00 50.11 N ATOM 801 CA GLY A 53 -11.971 10.341 -9.298 1.00 10.53 C ATOM 802 C GLY A 53 -10.528 10.319 -8.835 1.00 14.25 C ATOM 803 O GLY A 53 -10.179 10.946 -7.834 1.00 73.00 O ATOM 0 H GLY A 53 -13.115 11.984 -8.677 1.00 50.11 H new ATOM 0 HA2 GLY A 53 -12.585 9.785 -8.590 1.00 10.53 H new ATOM 0 HA3 GLY A 53 -12.049 9.830 -10.257 1.00 10.53 H new ATOM 807 N TYR A 54 -9.686 9.594 -9.562 1.00 70.33 N ATOM 808 CA TYR A 54 -8.274 9.489 -9.219 1.00 64.40 C ATOM 809 C TYR A 54 -7.472 10.621 -9.854 1.00 21.14 C ATOM 810 O TYR A 54 -7.673 10.961 -11.020 1.00 65.31 O ATOM 811 CB TYR A 54 -7.716 8.138 -9.672 1.00 4.14 C ATOM 812 CG TYR A 54 -7.666 7.102 -8.571 1.00 50.50 C ATOM 813 CD1 TYR A 54 -8.758 6.894 -7.737 1.00 12.31 C ATOM 814 CD2 TYR A 54 -6.528 6.334 -8.363 1.00 41.14 C ATOM 815 CE1 TYR A 54 -8.718 5.951 -6.730 1.00 32.44 C ATOM 816 CE2 TYR A 54 -6.478 5.387 -7.359 1.00 14.34 C ATOM 817 CZ TYR A 54 -7.576 5.199 -6.544 1.00 2.42 C ATOM 818 OH TYR A 54 -7.531 4.258 -5.542 1.00 1.22 O ATOM 0 H TYR A 54 -9.958 9.070 -10.394 1.00 70.33 H new ATOM 0 HA TYR A 54 -8.184 9.568 -8.136 1.00 64.40 H new ATOM 0 HB2 TYR A 54 -8.328 7.757 -10.490 1.00 4.14 H new ATOM 0 HB3 TYR A 54 -6.711 8.284 -10.068 1.00 4.14 H new ATOM 0 HD1 TYR A 54 -9.654 7.481 -7.879 1.00 12.31 H new ATOM 0 HD2 TYR A 54 -5.666 6.480 -8.998 1.00 41.14 H new ATOM 0 HE1 TYR A 54 -9.576 5.802 -6.091 1.00 32.44 H new ATOM 0 HE2 TYR A 54 -5.585 4.797 -7.212 1.00 14.34 H new ATOM 0 HH TYR A 54 -6.656 3.816 -5.547 1.00 1.22 H new ATOM 828 N PHE A 55 -6.564 11.202 -9.078 1.00 64.20 N ATOM 829 CA PHE A 55 -5.731 12.297 -9.563 1.00 73.41 C ATOM 830 C PHE A 55 -4.290 12.135 -9.087 1.00 4.32 C ATOM 831 O PHE A 55 -3.954 11.170 -8.400 1.00 12.32 O ATOM 832 CB PHE A 55 -6.290 13.639 -9.088 1.00 11.41 C ATOM 833 CG PHE A 55 -5.761 14.070 -7.750 1.00 42.20 C ATOM 834 CD1 PHE A 55 -5.823 13.219 -6.659 1.00 34.03 C ATOM 835 CD2 PHE A 55 -5.199 15.326 -7.584 1.00 65.10 C ATOM 836 CE1 PHE A 55 -5.337 13.613 -5.427 1.00 11.23 C ATOM 837 CE2 PHE A 55 -4.710 15.725 -6.354 1.00 51.53 C ATOM 838 CZ PHE A 55 -4.779 14.867 -5.275 1.00 11.45 C ATOM 0 H PHE A 55 -6.386 10.933 -8.110 1.00 64.20 H new ATOM 0 HA PHE A 55 -5.740 12.273 -10.653 1.00 73.41 H new ATOM 0 HB2 PHE A 55 -6.053 14.404 -9.827 1.00 11.41 H new ATOM 0 HB3 PHE A 55 -7.377 13.573 -9.036 1.00 11.41 H new ATOM 0 HD1 PHE A 55 -6.256 12.236 -6.773 1.00 34.03 H new ATOM 0 HD2 PHE A 55 -5.142 16.001 -8.425 1.00 65.10 H new ATOM 0 HE1 PHE A 55 -5.393 12.941 -4.584 1.00 11.23 H new ATOM 0 HE2 PHE A 55 -4.275 16.706 -6.238 1.00 51.53 H new ATOM 0 HZ PHE A 55 -4.397 15.176 -4.313 1.00 11.45 H new ATOM 848 N THR A 56 -3.441 13.089 -9.458 1.00 22.23 N ATOM 849 CA THR A 56 -2.036 13.054 -9.071 1.00 72.21 C ATOM 850 C THR A 56 -1.488 14.461 -8.866 1.00 65.12 C ATOM 851 O THR A 56 -2.173 15.451 -9.125 1.00 62.20 O ATOM 852 CB THR A 56 -1.181 12.331 -10.129 1.00 62.14 C ATOM 853 OG1 THR A 56 -1.110 13.118 -11.323 1.00 43.03 O ATOM 854 CG2 THR A 56 -1.762 10.962 -10.451 1.00 5.11 C ATOM 0 H THR A 56 -3.702 13.895 -10.026 1.00 22.23 H new ATOM 0 HA THR A 56 -1.979 12.505 -8.131 1.00 72.21 H new ATOM 0 HB THR A 56 -0.178 12.196 -9.724 1.00 62.14 H new ATOM 0 HG1 THR A 56 -0.564 12.652 -11.990 1.00 43.03 H new ATOM 0 HG21 THR A 56 -1.141 10.470 -11.200 1.00 5.11 H new ATOM 0 HG22 THR A 56 -1.787 10.355 -9.546 1.00 5.11 H new ATOM 0 HG23 THR A 56 -2.774 11.078 -10.838 1.00 5.11 H new ATOM 862 N LYS A 57 -0.247 14.545 -8.398 1.00 63.22 N ATOM 863 CA LYS A 57 0.396 15.832 -8.159 1.00 64.33 C ATOM 864 C LYS A 57 0.860 16.460 -9.469 1.00 14.21 C ATOM 865 O LYS A 57 1.769 15.955 -10.125 1.00 25.34 O ATOM 866 CB LYS A 57 1.588 15.661 -7.214 1.00 71.21 C ATOM 867 CG LYS A 57 1.255 14.891 -5.948 1.00 30.02 C ATOM 868 CD LYS A 57 2.007 15.441 -4.747 1.00 22.12 C ATOM 869 CE LYS A 57 3.423 14.887 -4.675 1.00 33.35 C ATOM 870 NZ LYS A 57 4.223 15.550 -3.609 1.00 64.31 N ATOM 0 H LYS A 57 0.334 13.736 -8.177 1.00 63.22 H new ATOM 0 HA LYS A 57 -0.335 16.495 -7.697 1.00 64.33 H new ATOM 0 HB2 LYS A 57 2.389 15.145 -7.743 1.00 71.21 H new ATOM 0 HB3 LYS A 57 1.969 16.645 -6.941 1.00 71.21 H new ATOM 0 HG2 LYS A 57 0.182 14.942 -5.761 1.00 30.02 H new ATOM 0 HG3 LYS A 57 1.505 13.839 -6.084 1.00 30.02 H new ATOM 0 HD2 LYS A 57 2.043 16.529 -4.806 1.00 22.12 H new ATOM 0 HD3 LYS A 57 1.469 15.189 -3.833 1.00 22.12 H new ATOM 0 HE2 LYS A 57 3.384 13.814 -4.486 1.00 33.35 H new ATOM 0 HE3 LYS A 57 3.916 15.024 -5.637 1.00 33.35 H new ATOM 0 HZ1 LYS A 57 5.181 15.145 -3.592 1.00 64.31 H new ATOM 0 HZ2 LYS A 57 4.281 16.570 -3.803 1.00 64.31 H new ATOM 0 HZ3 LYS A 57 3.766 15.398 -2.687 1.00 64.31 H new ATOM 884 N GLY A 58 0.227 17.567 -9.845 1.00 2.45 N ATOM 885 CA GLY A 58 0.589 18.248 -11.074 1.00 62.11 C ATOM 886 C GLY A 58 -0.580 18.379 -12.031 1.00 64.51 C ATOM 887 O GLY A 58 -0.427 18.883 -13.142 1.00 51.42 O ATOM 0 H GLY A 58 -0.530 18.004 -9.320 1.00 2.45 H new ATOM 0 HA2 GLY A 58 0.973 19.240 -10.836 1.00 62.11 H new ATOM 0 HA3 GLY A 58 1.396 17.703 -11.564 1.00 62.11 H new ATOM 891 N MET A 59 -1.751 17.922 -11.598 1.00 41.21 N ATOM 892 CA MET A 59 -2.950 17.990 -12.425 1.00 2.24 C ATOM 893 C MET A 59 -3.946 18.995 -11.855 1.00 61.30 C ATOM 894 O MET A 59 -5.038 19.174 -12.393 1.00 72.43 O ATOM 895 CB MET A 59 -3.603 16.610 -12.528 1.00 50.14 C ATOM 896 CG MET A 59 -2.633 15.507 -12.920 1.00 50.40 C ATOM 897 SD MET A 59 -3.411 14.219 -13.913 1.00 12.32 S ATOM 898 CE MET A 59 -2.912 14.714 -15.560 1.00 62.12 C ATOM 0 H MET A 59 -1.895 17.501 -10.680 1.00 41.21 H new ATOM 0 HA MET A 59 -2.656 18.320 -13.421 1.00 2.24 H new ATOM 0 HB2 MET A 59 -4.057 16.359 -11.569 1.00 50.14 H new ATOM 0 HB3 MET A 59 -4.408 16.652 -13.261 1.00 50.14 H new ATOM 0 HG2 MET A 59 -1.803 15.940 -13.479 1.00 50.40 H new ATOM 0 HG3 MET A 59 -2.212 15.061 -12.019 1.00 50.40 H new ATOM 0 HE1 MET A 59 -3.317 14.012 -16.289 1.00 62.12 H new ATOM 0 HE2 MET A 59 -3.291 15.714 -15.770 1.00 62.12 H new ATOM 0 HE3 MET A 59 -1.824 14.717 -15.625 1.00 62.12 H new ATOM 908 N MET A 60 -3.562 19.648 -10.763 1.00 30.13 N ATOM 909 CA MET A 60 -4.423 20.635 -10.121 1.00 5.55 C ATOM 910 C MET A 60 -3.639 21.898 -9.777 1.00 22.42 C ATOM 911 O MET A 60 -2.497 22.068 -10.206 1.00 65.40 O ATOM 912 CB MET A 60 -5.051 20.050 -8.855 1.00 54.20 C ATOM 913 CG MET A 60 -5.759 18.725 -9.085 1.00 14.42 C ATOM 914 SD MET A 60 -7.354 18.922 -9.901 1.00 73.14 S ATOM 915 CE MET A 60 -7.409 17.436 -10.900 1.00 14.35 C ATOM 0 H MET A 60 -2.661 19.512 -10.304 1.00 30.13 H new ATOM 0 HA MET A 60 -5.215 20.899 -10.821 1.00 5.55 H new ATOM 0 HB2 MET A 60 -4.273 19.912 -8.104 1.00 54.20 H new ATOM 0 HB3 MET A 60 -5.763 20.767 -8.448 1.00 54.20 H new ATOM 0 HG2 MET A 60 -5.123 18.078 -9.690 1.00 14.42 H new ATOM 0 HG3 MET A 60 -5.904 18.224 -8.128 1.00 14.42 H new ATOM 0 HE1 MET A 60 -8.433 17.064 -10.943 1.00 14.35 H new ATOM 0 HE2 MET A 60 -7.062 17.662 -11.908 1.00 14.35 H new ATOM 0 HE3 MET A 60 -6.766 16.676 -10.457 1.00 14.35 H new ATOM 925 N VAL A 61 -4.258 22.781 -9.000 1.00 72.41 N ATOM 926 CA VAL A 61 -3.618 24.027 -8.598 1.00 45.42 C ATOM 927 C VAL A 61 -3.026 23.915 -7.197 1.00 71.40 C ATOM 928 O VAL A 61 -3.277 22.945 -6.482 1.00 21.04 O ATOM 929 CB VAL A 61 -4.610 25.205 -8.631 1.00 51.10 C ATOM 930 CG1 VAL A 61 -5.266 25.313 -9.999 1.00 61.42 C ATOM 931 CG2 VAL A 61 -5.658 25.048 -7.540 1.00 30.32 C ATOM 0 H VAL A 61 -5.203 22.656 -8.636 1.00 72.41 H new ATOM 0 HA VAL A 61 -2.818 24.216 -9.314 1.00 45.42 H new ATOM 0 HB VAL A 61 -4.059 26.127 -8.445 1.00 51.10 H new ATOM 0 HG11 VAL A 61 -5.963 26.151 -10.003 1.00 61.42 H new ATOM 0 HG12 VAL A 61 -4.500 25.475 -10.758 1.00 61.42 H new ATOM 0 HG13 VAL A 61 -5.805 24.391 -10.218 1.00 61.42 H new ATOM 0 HG21 VAL A 61 -6.351 25.889 -7.577 1.00 30.32 H new ATOM 0 HG22 VAL A 61 -6.206 24.119 -7.693 1.00 30.32 H new ATOM 0 HG23 VAL A 61 -5.169 25.024 -6.566 1.00 30.32 H new ATOM 941 N LYS A 62 -2.239 24.913 -6.811 1.00 70.22 N ATOM 942 CA LYS A 62 -1.612 24.929 -5.495 1.00 61.42 C ATOM 943 C LYS A 62 -2.662 24.847 -4.391 1.00 22.32 C ATOM 944 O LYS A 62 -2.664 23.930 -3.569 1.00 63.43 O ATOM 945 CB LYS A 62 -0.773 26.196 -5.322 1.00 5.13 C ATOM 946 CG LYS A 62 -0.705 26.690 -3.888 1.00 25.23 C ATOM 947 CD LYS A 62 0.385 27.733 -3.708 1.00 33.15 C ATOM 948 CE LYS A 62 1.743 27.086 -3.481 1.00 13.51 C ATOM 949 NZ LYS A 62 1.915 26.637 -2.072 1.00 32.31 N ATOM 0 H LYS A 62 -2.020 25.722 -7.392 1.00 70.22 H new ATOM 0 HA LYS A 62 -0.962 24.057 -5.420 1.00 61.42 H new ATOM 0 HB2 LYS A 62 0.239 26.003 -5.679 1.00 5.13 H new ATOM 0 HB3 LYS A 62 -1.188 26.985 -5.950 1.00 5.13 H new ATOM 0 HG2 LYS A 62 -1.667 27.115 -3.603 1.00 25.23 H new ATOM 0 HG3 LYS A 62 -0.518 25.848 -3.221 1.00 25.23 H new ATOM 0 HD2 LYS A 62 0.428 28.372 -4.590 1.00 33.15 H new ATOM 0 HD3 LYS A 62 0.140 28.374 -2.861 1.00 33.15 H new ATOM 0 HE2 LYS A 62 1.855 26.233 -4.150 1.00 13.51 H new ATOM 0 HE3 LYS A 62 2.530 27.796 -3.735 1.00 13.51 H new ATOM 0 HZ1 LYS A 62 2.853 26.202 -1.958 1.00 32.31 H new ATOM 0 HZ2 LYS A 62 1.833 27.455 -1.435 1.00 32.31 H new ATOM 0 HZ3 LYS A 62 1.179 25.940 -1.837 1.00 32.31 H new ATOM 963 N PRO A 63 -3.577 25.828 -4.371 1.00 24.25 N ATOM 964 CA PRO A 63 -4.650 25.887 -3.373 1.00 41.22 C ATOM 965 C PRO A 63 -5.688 24.789 -3.573 1.00 32.24 C ATOM 966 O PRO A 63 -6.892 25.046 -3.549 1.00 1.52 O ATOM 967 CB PRO A 63 -5.277 27.265 -3.610 1.00 25.35 C ATOM 968 CG PRO A 63 -4.970 27.581 -5.032 1.00 14.51 C ATOM 969 CD PRO A 63 -3.635 26.953 -5.318 1.00 62.42 C ATOM 0 HA PRO A 63 -4.274 25.742 -2.360 1.00 41.22 H new ATOM 0 HB2 PRO A 63 -6.352 27.247 -3.432 1.00 25.35 H new ATOM 0 HB3 PRO A 63 -4.855 28.013 -2.938 1.00 25.35 H new ATOM 0 HG2 PRO A 63 -5.738 27.183 -5.695 1.00 14.51 H new ATOM 0 HG3 PRO A 63 -4.937 28.658 -5.194 1.00 14.51 H new ATOM 0 HD2 PRO A 63 -3.564 26.613 -6.351 1.00 62.42 H new ATOM 0 HD3 PRO A 63 -2.818 27.656 -5.157 1.00 62.42 H new ATOM 977 N PHE A 64 -5.216 23.562 -3.769 1.00 2.22 N ATOM 978 CA PHE A 64 -6.104 22.425 -3.973 1.00 63.30 C ATOM 979 C PHE A 64 -5.333 21.111 -3.890 1.00 62.34 C ATOM 980 O PHE A 64 -5.646 20.246 -3.073 1.00 30.12 O ATOM 981 CB PHE A 64 -6.804 22.533 -5.330 1.00 22.25 C ATOM 982 CG PHE A 64 -7.695 21.364 -5.640 1.00 65.31 C ATOM 983 CD1 PHE A 64 -7.175 20.211 -6.203 1.00 61.43 C ATOM 984 CD2 PHE A 64 -9.052 21.419 -5.369 1.00 10.50 C ATOM 985 CE1 PHE A 64 -7.991 19.132 -6.490 1.00 32.05 C ATOM 986 CE2 PHE A 64 -9.874 20.345 -5.653 1.00 30.04 C ATOM 987 CZ PHE A 64 -9.343 19.200 -6.215 1.00 2.43 C ATOM 0 H PHE A 64 -4.223 23.330 -3.791 1.00 2.22 H new ATOM 0 HA PHE A 64 -6.855 22.437 -3.183 1.00 63.30 H new ATOM 0 HB2 PHE A 64 -7.397 23.447 -5.352 1.00 22.25 H new ATOM 0 HB3 PHE A 64 -6.050 22.623 -6.112 1.00 22.25 H new ATOM 0 HD1 PHE A 64 -6.119 20.153 -6.421 1.00 61.43 H new ATOM 0 HD2 PHE A 64 -9.473 22.312 -4.931 1.00 10.50 H new ATOM 0 HE1 PHE A 64 -7.572 18.238 -6.928 1.00 32.05 H new ATOM 0 HE2 PHE A 64 -10.930 20.401 -5.436 1.00 30.04 H new ATOM 0 HZ PHE A 64 -9.984 18.360 -6.439 1.00 2.43 H new ATOM 997 N GLU A 65 -4.322 20.969 -4.743 1.00 54.23 N ATOM 998 CA GLU A 65 -3.507 19.760 -4.767 1.00 54.54 C ATOM 999 C GLU A 65 -2.995 19.421 -3.370 1.00 52.22 C ATOM 1000 O GLU A 65 -3.080 18.276 -2.928 1.00 63.04 O ATOM 1001 CB GLU A 65 -2.328 19.934 -5.726 1.00 65.21 C ATOM 1002 CG GLU A 65 -1.371 18.754 -5.734 1.00 22.32 C ATOM 1003 CD GLU A 65 -0.208 18.951 -6.687 1.00 72.02 C ATOM 1004 OE1 GLU A 65 -0.442 19.431 -7.816 1.00 34.04 O ATOM 1005 OE2 GLU A 65 0.935 18.624 -6.304 1.00 51.51 O ATOM 0 H GLU A 65 -4.049 21.676 -5.426 1.00 54.23 H new ATOM 0 HA GLU A 65 -4.132 18.937 -5.115 1.00 54.54 H new ATOM 0 HB2 GLU A 65 -2.711 20.087 -6.735 1.00 65.21 H new ATOM 0 HB3 GLU A 65 -1.778 20.835 -5.453 1.00 65.21 H new ATOM 0 HG2 GLU A 65 -0.987 18.596 -4.726 1.00 22.32 H new ATOM 0 HG3 GLU A 65 -1.915 17.852 -6.013 1.00 22.32 H new ATOM 1012 N ASP A 66 -2.466 20.425 -2.681 1.00 4.41 N ATOM 1013 CA ASP A 66 -1.940 20.235 -1.334 1.00 30.04 C ATOM 1014 C ASP A 66 -2.983 19.583 -0.431 1.00 50.52 C ATOM 1015 O ASP A 66 -2.704 18.591 0.240 1.00 1.25 O ATOM 1016 CB ASP A 66 -1.500 21.575 -0.741 1.00 74.02 C ATOM 1017 CG ASP A 66 -0.811 21.416 0.600 1.00 72.43 C ATOM 1018 OD1 ASP A 66 -0.685 20.266 1.070 1.00 74.00 O ATOM 1019 OD2 ASP A 66 -0.398 22.442 1.180 1.00 22.03 O ATOM 0 H ASP A 66 -2.390 21.379 -3.033 1.00 4.41 H new ATOM 0 HA ASP A 66 -1.076 19.574 -1.398 1.00 30.04 H new ATOM 0 HB2 ASP A 66 -0.824 22.073 -1.437 1.00 74.02 H new ATOM 0 HB3 ASP A 66 -2.370 22.221 -0.625 1.00 74.02 H new ATOM 1024 N ALA A 67 -4.186 20.149 -0.421 1.00 24.21 N ATOM 1025 CA ALA A 67 -5.270 19.622 0.399 1.00 53.54 C ATOM 1026 C ALA A 67 -6.160 18.681 -0.407 1.00 53.12 C ATOM 1027 O ALA A 67 -7.370 18.618 -0.190 1.00 61.22 O ATOM 1028 CB ALA A 67 -6.095 20.762 0.979 1.00 2.32 C ATOM 0 H ALA A 67 -4.434 20.971 -0.971 1.00 24.21 H new ATOM 0 HA ALA A 67 -4.830 19.053 1.218 1.00 53.54 H new ATOM 0 HB1 ALA A 67 -6.901 20.354 1.589 1.00 2.32 H new ATOM 0 HB2 ALA A 67 -5.458 21.395 1.596 1.00 2.32 H new ATOM 0 HB3 ALA A 67 -6.518 21.354 0.168 1.00 2.32 H new ATOM 1034 N ALA A 68 -5.553 17.953 -1.339 1.00 24.05 N ATOM 1035 CA ALA A 68 -6.289 17.015 -2.176 1.00 31.31 C ATOM 1036 C ALA A 68 -5.914 15.574 -1.846 1.00 42.21 C ATOM 1037 O ALA A 68 -6.644 14.640 -2.180 1.00 34.25 O ATOM 1038 CB ALA A 68 -6.033 17.306 -3.647 1.00 22.44 C ATOM 0 H ALA A 68 -4.552 17.995 -1.533 1.00 24.05 H new ATOM 0 HA ALA A 68 -7.352 17.142 -1.972 1.00 31.31 H new ATOM 0 HB1 ALA A 68 -6.589 16.597 -4.260 1.00 22.44 H new ATOM 0 HB2 ALA A 68 -6.358 18.320 -3.879 1.00 22.44 H new ATOM 0 HB3 ALA A 68 -4.968 17.209 -3.857 1.00 22.44 H new ATOM 1044 N PHE A 69 -4.771 15.399 -1.191 1.00 12.52 N ATOM 1045 CA PHE A 69 -4.299 14.072 -0.818 1.00 3.22 C ATOM 1046 C PHE A 69 -3.841 14.046 0.638 1.00 11.44 C ATOM 1047 O PHE A 69 -3.303 13.047 1.114 1.00 32.14 O ATOM 1048 CB PHE A 69 -3.150 13.641 -1.733 1.00 5.14 C ATOM 1049 CG PHE A 69 -2.161 14.736 -2.009 1.00 43.34 C ATOM 1050 CD1 PHE A 69 -1.468 15.342 -0.973 1.00 73.31 C ATOM 1051 CD2 PHE A 69 -1.924 15.161 -3.307 1.00 41.53 C ATOM 1052 CE1 PHE A 69 -0.557 16.349 -1.226 1.00 12.34 C ATOM 1053 CE2 PHE A 69 -1.014 16.169 -3.565 1.00 43.20 C ATOM 1054 CZ PHE A 69 -0.331 16.765 -2.523 1.00 5.21 C ATOM 0 H PHE A 69 -4.155 16.161 -0.908 1.00 12.52 H new ATOM 0 HA PHE A 69 -5.128 13.374 -0.932 1.00 3.22 H new ATOM 0 HB2 PHE A 69 -2.630 12.799 -1.277 1.00 5.14 H new ATOM 0 HB3 PHE A 69 -3.562 13.288 -2.678 1.00 5.14 H new ATOM 0 HD1 PHE A 69 -1.642 15.023 0.044 1.00 73.31 H new ATOM 0 HD2 PHE A 69 -2.456 14.699 -4.126 1.00 41.53 H new ATOM 0 HE1 PHE A 69 -0.022 16.811 -0.410 1.00 12.34 H new ATOM 0 HE2 PHE A 69 -0.837 16.490 -4.581 1.00 43.20 H new ATOM 0 HZ PHE A 69 0.378 17.555 -2.722 1.00 5.21 H new ATOM 1064 N LYS A 70 -4.059 15.154 1.340 1.00 62.13 N ATOM 1065 CA LYS A 70 -3.670 15.260 2.741 1.00 15.34 C ATOM 1066 C LYS A 70 -4.849 14.944 3.658 1.00 44.23 C ATOM 1067 O LYS A 70 -4.732 15.016 4.882 1.00 61.44 O ATOM 1068 CB LYS A 70 -3.141 16.665 3.040 1.00 62.34 C ATOM 1069 CG LYS A 70 -4.230 17.662 3.395 1.00 52.40 C ATOM 1070 CD LYS A 70 -3.679 19.074 3.502 1.00 51.52 C ATOM 1071 CE LYS A 70 -2.544 19.155 4.510 1.00 0.35 C ATOM 1072 NZ LYS A 70 -2.757 20.249 5.499 1.00 22.15 N ATOM 0 H LYS A 70 -4.503 15.991 0.961 1.00 62.13 H new ATOM 0 HA LYS A 70 -2.880 14.533 2.929 1.00 15.34 H new ATOM 0 HB2 LYS A 70 -2.429 16.608 3.864 1.00 62.34 H new ATOM 0 HB3 LYS A 70 -2.594 17.031 2.171 1.00 62.34 H new ATOM 0 HG2 LYS A 70 -5.013 17.632 2.637 1.00 52.40 H new ATOM 0 HG3 LYS A 70 -4.691 17.378 4.341 1.00 52.40 H new ATOM 0 HD2 LYS A 70 -3.323 19.402 2.525 1.00 51.52 H new ATOM 0 HD3 LYS A 70 -4.477 19.756 3.796 1.00 51.52 H new ATOM 0 HE2 LYS A 70 -2.455 18.204 5.034 1.00 0.35 H new ATOM 0 HE3 LYS A 70 -1.603 19.318 3.985 1.00 0.35 H new ATOM 0 HZ1 LYS A 70 -1.962 20.271 6.169 1.00 22.15 H new ATOM 0 HZ2 LYS A 70 -2.816 21.160 5.001 1.00 22.15 H new ATOM 0 HZ3 LYS A 70 -3.642 20.080 6.018 1.00 22.15 H new ATOM 1086 N LEU A 71 -5.981 14.594 3.057 1.00 14.25 N ATOM 1087 CA LEU A 71 -7.180 14.266 3.820 1.00 51.20 C ATOM 1088 C LEU A 71 -7.210 12.783 4.176 1.00 14.31 C ATOM 1089 O LEU A 71 -6.334 12.021 3.769 1.00 35.42 O ATOM 1090 CB LEU A 71 -8.433 14.635 3.024 1.00 41.53 C ATOM 1091 CG LEU A 71 -8.325 15.882 2.143 1.00 20.41 C ATOM 1092 CD1 LEU A 71 -9.524 15.984 1.214 1.00 15.20 C ATOM 1093 CD2 LEU A 71 -8.204 17.132 3.002 1.00 23.33 C ATOM 0 H LEU A 71 -6.094 14.530 2.045 1.00 14.25 H new ATOM 0 HA LEU A 71 -7.161 14.843 4.744 1.00 51.20 H new ATOM 0 HB2 LEU A 71 -8.699 13.789 2.391 1.00 41.53 H new ATOM 0 HB3 LEU A 71 -9.255 14.780 3.725 1.00 41.53 H new ATOM 0 HG LEU A 71 -7.426 15.797 1.533 1.00 20.41 H new ATOM 0 HD11 LEU A 71 -9.430 16.876 0.595 1.00 15.20 H new ATOM 0 HD12 LEU A 71 -9.565 15.102 0.575 1.00 15.20 H new ATOM 0 HD13 LEU A 71 -10.438 16.047 1.805 1.00 15.20 H new ATOM 0 HD21 LEU A 71 -8.128 18.009 2.359 1.00 23.33 H new ATOM 0 HD22 LEU A 71 -9.085 17.223 3.638 1.00 23.33 H new ATOM 0 HD23 LEU A 71 -7.312 17.060 3.625 1.00 23.33 H new ATOM 1105 N GLN A 72 -8.224 12.382 4.936 1.00 34.03 N ATOM 1106 CA GLN A 72 -8.368 10.990 5.346 1.00 44.44 C ATOM 1107 C GLN A 72 -9.413 10.278 4.493 1.00 23.11 C ATOM 1108 O GLN A 72 -10.174 10.914 3.766 1.00 75.23 O ATOM 1109 CB GLN A 72 -8.756 10.908 6.823 1.00 42.12 C ATOM 1110 CG GLN A 72 -7.908 9.930 7.621 1.00 42.41 C ATOM 1111 CD GLN A 72 -8.109 10.071 9.118 1.00 64.22 C ATOM 1112 OE1 GLN A 72 -9.081 10.673 9.571 1.00 53.31 O ATOM 1113 NE2 GLN A 72 -7.186 9.512 9.893 1.00 12.21 N ATOM 0 H GLN A 72 -8.958 13.001 5.280 1.00 34.03 H new ATOM 0 HA GLN A 72 -7.408 10.494 5.203 1.00 44.44 H new ATOM 0 HB2 GLN A 72 -8.669 11.899 7.269 1.00 42.12 H new ATOM 0 HB3 GLN A 72 -9.803 10.615 6.899 1.00 42.12 H new ATOM 0 HG2 GLN A 72 -8.153 8.912 7.319 1.00 42.41 H new ATOM 0 HG3 GLN A 72 -6.856 10.088 7.383 1.00 42.41 H new ATOM 0 HE21 GLN A 72 -6.396 9.022 9.473 1.00 12.21 H new ATOM 0 HE22 GLN A 72 -7.267 9.573 10.908 1.00 12.21 H new ATOM 1122 N VAL A 73 -9.442 8.952 4.588 1.00 55.20 N ATOM 1123 CA VAL A 73 -10.394 8.152 3.827 1.00 41.14 C ATOM 1124 C VAL A 73 -11.829 8.567 4.131 1.00 20.02 C ATOM 1125 O VAL A 73 -12.409 8.147 5.133 1.00 44.52 O ATOM 1126 CB VAL A 73 -10.231 6.651 4.126 1.00 73.42 C ATOM 1127 CG1 VAL A 73 -10.196 6.405 5.626 1.00 74.32 C ATOM 1128 CG2 VAL A 73 -11.351 5.853 3.472 1.00 3.34 C ATOM 0 H VAL A 73 -8.817 8.410 5.184 1.00 55.20 H new ATOM 0 HA VAL A 73 -10.184 8.330 2.772 1.00 41.14 H new ATOM 0 HB VAL A 73 -9.283 6.316 3.706 1.00 73.42 H new ATOM 0 HG11 VAL A 73 -10.080 5.338 5.817 1.00 74.32 H new ATOM 0 HG12 VAL A 73 -9.357 6.945 6.064 1.00 74.32 H new ATOM 0 HG13 VAL A 73 -11.126 6.755 6.074 1.00 74.32 H new ATOM 0 HG21 VAL A 73 -11.220 4.794 3.694 1.00 3.34 H new ATOM 0 HG22 VAL A 73 -12.312 6.189 3.861 1.00 3.34 H new ATOM 0 HG23 VAL A 73 -11.323 6.004 2.393 1.00 3.34 H new ATOM 1138 N GLY A 74 -12.398 9.395 3.260 1.00 21.44 N ATOM 1139 CA GLY A 74 -13.762 9.853 3.454 1.00 61.11 C ATOM 1140 C GLY A 74 -13.837 11.102 4.310 1.00 73.23 C ATOM 1141 O GLY A 74 -14.864 11.376 4.929 1.00 33.20 O ATOM 0 H GLY A 74 -11.939 9.757 2.424 1.00 21.44 H new ATOM 0 HA2 GLY A 74 -14.216 10.053 2.484 1.00 61.11 H new ATOM 0 HA3 GLY A 74 -14.345 9.060 3.922 1.00 61.11 H new ATOM 1145 N GLU A 75 -12.746 11.861 4.345 1.00 40.14 N ATOM 1146 CA GLU A 75 -12.693 13.086 5.133 1.00 35.23 C ATOM 1147 C GLU A 75 -12.759 14.316 4.232 1.00 54.41 C ATOM 1148 O GLU A 75 -12.041 14.409 3.237 1.00 43.34 O ATOM 1149 CB GLU A 75 -11.416 13.124 5.973 1.00 4.13 C ATOM 1150 CG GLU A 75 -11.647 13.546 7.415 1.00 61.31 C ATOM 1151 CD GLU A 75 -12.213 12.426 8.267 1.00 42.41 C ATOM 1152 OE1 GLU A 75 -13.453 12.291 8.318 1.00 31.43 O ATOM 1153 OE2 GLU A 75 -11.416 11.687 8.882 1.00 52.32 O ATOM 0 H GLU A 75 -11.887 11.649 3.837 1.00 40.14 H new ATOM 0 HA GLU A 75 -13.557 13.097 5.798 1.00 35.23 H new ATOM 0 HB2 GLU A 75 -10.955 12.137 5.962 1.00 4.13 H new ATOM 0 HB3 GLU A 75 -10.708 13.812 5.511 1.00 4.13 H new ATOM 0 HG2 GLU A 75 -10.705 13.885 7.846 1.00 61.31 H new ATOM 0 HG3 GLU A 75 -12.331 14.395 7.436 1.00 61.31 H new ATOM 1160 N VAL A 76 -13.626 15.258 4.589 1.00 15.14 N ATOM 1161 CA VAL A 76 -13.788 16.482 3.815 1.00 43.24 C ATOM 1162 C VAL A 76 -12.718 17.506 4.178 1.00 13.13 C ATOM 1163 O VAL A 76 -12.427 17.724 5.354 1.00 40.41 O ATOM 1164 CB VAL A 76 -15.177 17.108 4.035 1.00 75.45 C ATOM 1165 CG1 VAL A 76 -15.348 18.349 3.171 1.00 31.33 C ATOM 1166 CG2 VAL A 76 -16.271 16.091 3.742 1.00 34.04 C ATOM 0 H VAL A 76 -14.228 15.196 5.410 1.00 15.14 H new ATOM 0 HA VAL A 76 -13.685 16.208 2.765 1.00 43.24 H new ATOM 0 HB VAL A 76 -15.259 17.408 5.080 1.00 75.45 H new ATOM 0 HG11 VAL A 76 -16.336 18.777 3.341 1.00 31.33 H new ATOM 0 HG12 VAL A 76 -14.585 19.082 3.432 1.00 31.33 H new ATOM 0 HG13 VAL A 76 -15.246 18.078 2.120 1.00 31.33 H new ATOM 0 HG21 VAL A 76 -17.247 16.550 3.902 1.00 34.04 H new ATOM 0 HG22 VAL A 76 -16.192 15.759 2.707 1.00 34.04 H new ATOM 0 HG23 VAL A 76 -16.159 15.235 4.407 1.00 34.04 H new ATOM 1176 N SER A 77 -12.137 18.133 3.160 1.00 62.41 N ATOM 1177 CA SER A 77 -11.096 19.133 3.372 1.00 54.13 C ATOM 1178 C SER A 77 -11.699 20.455 3.838 1.00 74.35 C ATOM 1179 O SER A 77 -12.871 20.516 4.211 1.00 43.54 O ATOM 1180 CB SER A 77 -10.298 19.349 2.085 1.00 41.14 C ATOM 1181 OG SER A 77 -10.858 20.391 1.306 1.00 3.50 O ATOM 0 H SER A 77 -12.369 17.967 2.181 1.00 62.41 H new ATOM 0 HA SER A 77 -10.426 18.765 4.149 1.00 54.13 H new ATOM 0 HB2 SER A 77 -9.264 19.590 2.331 1.00 41.14 H new ATOM 0 HB3 SER A 77 -10.281 18.426 1.505 1.00 41.14 H new ATOM 0 HG SER A 77 -10.195 21.102 1.186 1.00 3.50 H new ATOM 1187 N GLU A 78 -10.891 21.509 3.812 1.00 62.11 N ATOM 1188 CA GLU A 78 -11.344 22.830 4.232 1.00 24.13 C ATOM 1189 C GLU A 78 -11.614 23.722 3.025 1.00 43.34 C ATOM 1190 O GLU A 78 -11.143 23.468 1.916 1.00 73.14 O ATOM 1191 CB GLU A 78 -10.303 23.485 5.142 1.00 14.42 C ATOM 1192 CG GLU A 78 -8.869 23.194 4.735 1.00 64.45 C ATOM 1193 CD GLU A 78 -7.856 23.871 5.637 1.00 11.51 C ATOM 1194 OE1 GLU A 78 -7.873 25.118 5.717 1.00 75.25 O ATOM 1195 OE2 GLU A 78 -7.047 23.157 6.265 1.00 31.31 O ATOM 0 H GLU A 78 -9.919 21.474 3.505 1.00 62.11 H new ATOM 0 HA GLU A 78 -12.275 22.707 4.786 1.00 24.13 H new ATOM 0 HB2 GLU A 78 -10.460 24.564 5.142 1.00 14.42 H new ATOM 0 HB3 GLU A 78 -10.459 23.141 6.164 1.00 14.42 H new ATOM 0 HG2 GLU A 78 -8.702 22.117 4.752 1.00 64.45 H new ATOM 0 HG3 GLU A 78 -8.713 23.524 3.708 1.00 64.45 H new ATOM 1202 N PRO A 79 -12.391 24.793 3.242 1.00 31.41 N ATOM 1203 CA PRO A 79 -12.742 25.745 2.185 1.00 11.40 C ATOM 1204 C PRO A 79 -11.548 26.581 1.738 1.00 51.33 C ATOM 1205 O PRO A 79 -11.339 27.693 2.224 1.00 73.32 O ATOM 1206 CB PRO A 79 -13.800 26.634 2.844 1.00 41.42 C ATOM 1207 CG PRO A 79 -13.512 26.546 4.303 1.00 55.24 C ATOM 1208 CD PRO A 79 -12.987 25.157 4.539 1.00 61.11 C ATOM 0 HA PRO A 79 -13.090 25.242 1.283 1.00 11.40 H new ATOM 0 HB2 PRO A 79 -13.731 27.662 2.488 1.00 41.42 H new ATOM 0 HB3 PRO A 79 -14.807 26.285 2.617 1.00 41.42 H new ATOM 0 HG2 PRO A 79 -12.780 27.296 4.602 1.00 55.24 H new ATOM 0 HG3 PRO A 79 -14.412 26.728 4.890 1.00 55.24 H new ATOM 0 HD2 PRO A 79 -12.248 25.137 5.340 1.00 61.11 H new ATOM 0 HD3 PRO A 79 -13.783 24.469 4.823 1.00 61.11 H new ATOM 1216 N ILE A 80 -10.767 26.040 0.808 1.00 33.43 N ATOM 1217 CA ILE A 80 -9.595 26.737 0.295 1.00 53.12 C ATOM 1218 C ILE A 80 -9.993 27.824 -0.697 1.00 52.54 C ATOM 1219 O ILE A 80 -10.427 27.536 -1.812 1.00 21.30 O ATOM 1220 CB ILE A 80 -8.617 25.764 -0.392 1.00 13.41 C ATOM 1221 CG1 ILE A 80 -8.337 24.564 0.514 1.00 5.34 C ATOM 1222 CG2 ILE A 80 -7.323 26.480 -0.750 1.00 33.01 C ATOM 1223 CD1 ILE A 80 -7.571 24.921 1.770 1.00 32.11 C ATOM 0 H ILE A 80 -10.926 25.121 0.395 1.00 33.43 H new ATOM 0 HA ILE A 80 -9.099 27.194 1.152 1.00 53.12 H new ATOM 0 HB ILE A 80 -9.074 25.400 -1.312 1.00 13.41 H new ATOM 0 HG12 ILE A 80 -9.284 24.102 0.794 1.00 5.34 H new ATOM 0 HG13 ILE A 80 -7.772 23.819 -0.047 1.00 5.34 H new ATOM 0 HG21 ILE A 80 -6.642 25.780 -1.234 1.00 33.01 H new ATOM 0 HG22 ILE A 80 -7.539 27.305 -1.429 1.00 33.01 H new ATOM 0 HG23 ILE A 80 -6.859 26.869 0.157 1.00 33.01 H new ATOM 0 HD11 ILE A 80 -7.408 24.022 2.365 1.00 32.11 H new ATOM 0 HD12 ILE A 80 -6.609 25.356 1.498 1.00 32.11 H new ATOM 0 HD13 ILE A 80 -8.144 25.643 2.353 1.00 32.11 H new ATOM 1235 N LYS A 81 -9.840 29.079 -0.284 1.00 33.22 N ATOM 1236 CA LYS A 81 -10.180 30.212 -1.136 1.00 32.11 C ATOM 1237 C LYS A 81 -9.150 30.385 -2.247 1.00 72.35 C ATOM 1238 O LYS A 81 -7.989 30.702 -1.987 1.00 73.14 O ATOM 1239 CB LYS A 81 -10.268 31.493 -0.305 1.00 31.04 C ATOM 1240 CG LYS A 81 -10.890 32.660 -1.050 1.00 41.53 C ATOM 1241 CD LYS A 81 -12.242 33.038 -0.468 1.00 13.23 C ATOM 1242 CE LYS A 81 -12.765 34.335 -1.066 1.00 1.24 C ATOM 1243 NZ LYS A 81 -14.148 34.640 -0.607 1.00 73.03 N ATOM 0 H LYS A 81 -9.483 29.336 0.636 1.00 33.22 H new ATOM 0 HA LYS A 81 -11.150 30.014 -1.591 1.00 32.11 H new ATOM 0 HB2 LYS A 81 -10.852 31.294 0.593 1.00 31.04 H new ATOM 0 HB3 LYS A 81 -9.267 31.774 0.022 1.00 31.04 H new ATOM 0 HG2 LYS A 81 -10.221 33.519 -1.005 1.00 41.53 H new ATOM 0 HG3 LYS A 81 -11.006 32.401 -2.102 1.00 41.53 H new ATOM 0 HD2 LYS A 81 -12.956 32.236 -0.655 1.00 13.23 H new ATOM 0 HD3 LYS A 81 -12.157 33.143 0.614 1.00 13.23 H new ATOM 0 HE2 LYS A 81 -12.102 35.155 -0.791 1.00 1.24 H new ATOM 0 HE3 LYS A 81 -12.751 34.265 -2.154 1.00 1.24 H new ATOM 0 HZ1 LYS A 81 -14.221 35.651 -0.373 1.00 73.03 H new ATOM 0 HZ2 LYS A 81 -14.823 34.410 -1.364 1.00 73.03 H new ATOM 0 HZ3 LYS A 81 -14.367 34.072 0.236 1.00 73.03 H new ATOM 1257 N SER A 82 -9.583 30.176 -3.487 1.00 42.13 N ATOM 1258 CA SER A 82 -8.697 30.307 -4.638 1.00 42.11 C ATOM 1259 C SER A 82 -9.352 31.141 -5.735 1.00 2.11 C ATOM 1260 O SER A 82 -10.428 31.706 -5.541 1.00 4.30 O ATOM 1261 CB SER A 82 -8.327 28.927 -5.183 1.00 73.34 C ATOM 1262 OG SER A 82 -7.248 29.011 -6.098 1.00 44.41 O ATOM 0 H SER A 82 -10.541 29.915 -3.720 1.00 42.13 H new ATOM 0 HA SER A 82 -7.790 30.816 -4.311 1.00 42.11 H new ATOM 0 HB2 SER A 82 -8.058 28.267 -4.358 1.00 73.34 H new ATOM 0 HB3 SER A 82 -9.192 28.484 -5.676 1.00 73.34 H new ATOM 0 HG SER A 82 -7.325 28.294 -6.761 1.00 44.41 H new ATOM 1268 N GLU A 83 -8.693 31.213 -6.888 1.00 30.12 N ATOM 1269 CA GLU A 83 -9.210 31.979 -8.016 1.00 33.12 C ATOM 1270 C GLU A 83 -10.581 31.461 -8.442 1.00 74.05 C ATOM 1271 O GLU A 83 -11.385 32.198 -9.013 1.00 32.02 O ATOM 1272 CB GLU A 83 -8.238 31.912 -9.195 1.00 44.25 C ATOM 1273 CG GLU A 83 -7.910 30.495 -9.634 1.00 53.12 C ATOM 1274 CD GLU A 83 -6.560 30.393 -10.317 1.00 22.00 C ATOM 1275 OE1 GLU A 83 -6.454 30.812 -11.487 1.00 41.15 O ATOM 1276 OE2 GLU A 83 -5.609 29.893 -9.678 1.00 73.25 O ATOM 0 H GLU A 83 -7.801 30.751 -7.065 1.00 30.12 H new ATOM 0 HA GLU A 83 -9.315 33.017 -7.700 1.00 33.12 H new ATOM 0 HB2 GLU A 83 -8.665 32.455 -10.038 1.00 44.25 H new ATOM 0 HB3 GLU A 83 -7.314 32.422 -8.923 1.00 44.25 H new ATOM 0 HG2 GLU A 83 -7.924 29.837 -8.765 1.00 53.12 H new ATOM 0 HG3 GLU A 83 -8.685 30.141 -10.314 1.00 53.12 H new ATOM 1283 N PHE A 84 -10.839 30.188 -8.162 1.00 2.14 N ATOM 1284 CA PHE A 84 -12.112 29.569 -8.518 1.00 5.33 C ATOM 1285 C PHE A 84 -13.085 29.615 -7.343 1.00 72.04 C ATOM 1286 O PHE A 84 -14.289 29.430 -7.514 1.00 42.32 O ATOM 1287 CB PHE A 84 -11.893 28.121 -8.958 1.00 12.11 C ATOM 1288 CG PHE A 84 -10.769 27.956 -9.941 1.00 2.33 C ATOM 1289 CD1 PHE A 84 -10.759 28.669 -11.129 1.00 74.31 C ATOM 1290 CD2 PHE A 84 -9.721 27.089 -9.675 1.00 54.35 C ATOM 1291 CE1 PHE A 84 -9.727 28.518 -12.035 1.00 21.10 C ATOM 1292 CE2 PHE A 84 -8.685 26.935 -10.579 1.00 22.44 C ATOM 1293 CZ PHE A 84 -8.688 27.651 -11.759 1.00 72.24 C ATOM 0 H PHE A 84 -10.184 29.564 -7.690 1.00 2.14 H new ATOM 0 HA PHE A 84 -12.543 30.131 -9.346 1.00 5.33 H new ATOM 0 HB2 PHE A 84 -11.689 27.510 -8.079 1.00 12.11 H new ATOM 0 HB3 PHE A 84 -12.813 27.742 -9.403 1.00 12.11 H new ATOM 0 HD1 PHE A 84 -11.567 29.351 -11.349 1.00 74.31 H new ATOM 0 HD2 PHE A 84 -9.713 26.528 -8.752 1.00 54.35 H new ATOM 0 HE1 PHE A 84 -9.733 29.078 -12.959 1.00 21.10 H new ATOM 0 HE2 PHE A 84 -7.875 26.255 -10.362 1.00 22.44 H new ATOM 0 HZ PHE A 84 -7.879 27.533 -12.465 1.00 72.24 H new ATOM 1303 N GLY A 85 -12.553 29.861 -6.150 1.00 11.31 N ATOM 1304 CA GLY A 85 -13.388 29.926 -4.964 1.00 70.45 C ATOM 1305 C GLY A 85 -13.001 28.890 -3.927 1.00 50.31 C ATOM 1306 O GLY A 85 -11.893 28.354 -3.957 1.00 1.34 O ATOM 0 H GLY A 85 -11.559 30.016 -5.983 1.00 11.31 H new ATOM 0 HA2 GLY A 85 -13.314 30.921 -4.525 1.00 70.45 H new ATOM 0 HA3 GLY A 85 -14.430 29.780 -5.248 1.00 70.45 H new ATOM 1310 N TYR A 86 -13.916 28.609 -3.005 1.00 3.44 N ATOM 1311 CA TYR A 86 -13.663 27.635 -1.950 1.00 71.12 C ATOM 1312 C TYR A 86 -13.673 26.215 -2.507 1.00 5.41 C ATOM 1313 O TYR A 86 -14.672 25.761 -3.065 1.00 41.13 O ATOM 1314 CB TYR A 86 -14.710 27.768 -0.843 1.00 51.13 C ATOM 1315 CG TYR A 86 -14.652 29.089 -0.110 1.00 3.41 C ATOM 1316 CD1 TYR A 86 -13.534 29.444 0.636 1.00 31.04 C ATOM 1317 CD2 TYR A 86 -15.714 29.984 -0.163 1.00 61.21 C ATOM 1318 CE1 TYR A 86 -13.477 30.650 1.308 1.00 72.34 C ATOM 1319 CE2 TYR A 86 -15.665 31.191 0.504 1.00 51.52 C ATOM 1320 CZ TYR A 86 -14.544 31.520 1.239 1.00 34.41 C ATOM 1321 OH TYR A 86 -14.491 32.722 1.906 1.00 0.32 O ATOM 0 H TYR A 86 -14.839 29.042 -2.967 1.00 3.44 H new ATOM 0 HA TYR A 86 -12.676 27.836 -1.533 1.00 71.12 H new ATOM 0 HB2 TYR A 86 -15.703 27.646 -1.277 1.00 51.13 H new ATOM 0 HB3 TYR A 86 -14.574 26.958 -0.126 1.00 51.13 H new ATOM 0 HD1 TYR A 86 -12.696 28.766 0.691 1.00 31.04 H new ATOM 0 HD2 TYR A 86 -16.593 29.730 -0.736 1.00 61.21 H new ATOM 0 HE1 TYR A 86 -12.601 30.910 1.884 1.00 72.34 H new ATOM 0 HE2 TYR A 86 -16.499 31.875 0.451 1.00 51.52 H new ATOM 0 HH TYR A 86 -15.323 33.218 1.754 1.00 0.32 H new ATOM 1331 N HIS A 87 -12.553 25.517 -2.350 1.00 65.42 N ATOM 1332 CA HIS A 87 -12.431 24.147 -2.836 1.00 31.13 C ATOM 1333 C HIS A 87 -12.673 23.148 -1.708 1.00 31.10 C ATOM 1334 O HIS A 87 -12.003 23.187 -0.676 1.00 34.04 O ATOM 1335 CB HIS A 87 -11.047 23.920 -3.444 1.00 43.13 C ATOM 1336 CG HIS A 87 -10.852 24.607 -4.761 1.00 64.33 C ATOM 1337 ND1 HIS A 87 -11.037 23.975 -5.973 1.00 71.32 N ATOM 1338 CD2 HIS A 87 -10.488 25.877 -5.052 1.00 65.23 C ATOM 1339 CE1 HIS A 87 -10.793 24.828 -6.952 1.00 61.13 C ATOM 1340 NE2 HIS A 87 -10.459 25.989 -6.420 1.00 64.24 N ATOM 0 H HIS A 87 -11.717 25.877 -1.890 1.00 65.42 H new ATOM 0 HA HIS A 87 -13.187 23.992 -3.605 1.00 31.13 H new ATOM 0 HB2 HIS A 87 -10.289 24.272 -2.744 1.00 43.13 H new ATOM 0 HB3 HIS A 87 -10.887 22.850 -3.575 1.00 43.13 H new ATOM 0 HD1 HIS A 87 -11.318 23.002 -6.094 1.00 71.32 H new ATOM 0 HD2 HIS A 87 -10.262 26.658 -4.341 1.00 65.23 H new ATOM 0 HE1 HIS A 87 -10.856 24.612 -8.008 1.00 61.13 H new ATOM 1348 N ILE A 88 -13.635 22.254 -1.914 1.00 34.13 N ATOM 1349 CA ILE A 88 -13.966 21.245 -0.915 1.00 30.22 C ATOM 1350 C ILE A 88 -13.626 19.845 -1.414 1.00 71.03 C ATOM 1351 O ILE A 88 -14.474 19.152 -1.976 1.00 14.21 O ATOM 1352 CB ILE A 88 -15.458 21.295 -0.536 1.00 45.14 C ATOM 1353 CG1 ILE A 88 -15.822 22.676 0.012 1.00 25.00 C ATOM 1354 CG2 ILE A 88 -15.782 20.212 0.482 1.00 12.20 C ATOM 1355 CD1 ILE A 88 -15.104 23.023 1.298 1.00 52.11 C ATOM 0 H ILE A 88 -14.198 22.208 -2.763 1.00 34.13 H new ATOM 0 HA ILE A 88 -13.368 21.468 -0.031 1.00 30.22 H new ATOM 0 HB ILE A 88 -16.052 21.113 -1.432 1.00 45.14 H new ATOM 0 HG12 ILE A 88 -15.589 23.430 -0.740 1.00 25.00 H new ATOM 0 HG13 ILE A 88 -16.898 22.719 0.183 1.00 25.00 H new ATOM 0 HG21 ILE A 88 -16.840 20.260 0.740 1.00 12.20 H new ATOM 0 HG22 ILE A 88 -15.556 19.234 0.057 1.00 12.20 H new ATOM 0 HG23 ILE A 88 -15.182 20.365 1.379 1.00 12.20 H new ATOM 0 HD11 ILE A 88 -15.410 24.015 1.629 1.00 52.11 H new ATOM 0 HD12 ILE A 88 -15.357 22.291 2.065 1.00 52.11 H new ATOM 0 HD13 ILE A 88 -14.027 23.013 1.128 1.00 52.11 H new ATOM 1367 N ILE A 89 -12.380 19.435 -1.204 1.00 63.12 N ATOM 1368 CA ILE A 89 -11.928 18.116 -1.631 1.00 33.31 C ATOM 1369 C ILE A 89 -12.311 17.047 -0.612 1.00 41.41 C ATOM 1370 O ILE A 89 -12.117 17.224 0.591 1.00 23.01 O ATOM 1371 CB ILE A 89 -10.403 18.084 -1.843 1.00 42.42 C ATOM 1372 CG1 ILE A 89 -9.951 19.314 -2.633 1.00 1.34 C ATOM 1373 CG2 ILE A 89 -9.995 16.807 -2.563 1.00 21.10 C ATOM 1374 CD1 ILE A 89 -9.252 20.354 -1.783 1.00 73.25 C ATOM 0 H ILE A 89 -11.665 19.997 -0.741 1.00 63.12 H new ATOM 0 HA ILE A 89 -12.423 17.905 -2.579 1.00 33.31 H new ATOM 0 HB ILE A 89 -9.915 18.101 -0.869 1.00 42.42 H new ATOM 0 HG12 ILE A 89 -9.279 18.997 -3.431 1.00 1.34 H new ATOM 0 HG13 ILE A 89 -10.819 19.769 -3.109 1.00 1.34 H new ATOM 0 HG21 ILE A 89 -8.914 16.799 -2.706 1.00 21.10 H new ATOM 0 HG22 ILE A 89 -10.289 15.943 -1.966 1.00 21.10 H new ATOM 0 HG23 ILE A 89 -10.489 16.763 -3.533 1.00 21.10 H new ATOM 0 HD11 ILE A 89 -8.959 21.198 -2.408 1.00 73.25 H new ATOM 0 HD12 ILE A 89 -9.928 20.699 -1.001 1.00 73.25 H new ATOM 0 HD13 ILE A 89 -8.365 19.915 -1.327 1.00 73.25 H new ATOM 1386 N LYS A 90 -12.854 15.938 -1.102 1.00 32.03 N ATOM 1387 CA LYS A 90 -13.262 14.839 -0.236 1.00 21.04 C ATOM 1388 C LYS A 90 -12.773 13.503 -0.786 1.00 22.33 C ATOM 1389 O LYS A 90 -13.128 13.111 -1.897 1.00 74.43 O ATOM 1390 CB LYS A 90 -14.785 14.815 -0.089 1.00 62.12 C ATOM 1391 CG LYS A 90 -15.293 13.692 0.798 1.00 14.12 C ATOM 1392 CD LYS A 90 -16.776 13.438 0.582 1.00 24.30 C ATOM 1393 CE LYS A 90 -17.198 12.091 1.146 1.00 21.33 C ATOM 1394 NZ LYS A 90 -18.538 11.675 0.646 1.00 0.40 N ATOM 0 H LYS A 90 -13.022 15.777 -2.095 1.00 32.03 H new ATOM 0 HA LYS A 90 -12.811 14.996 0.744 1.00 21.04 H new ATOM 0 HB2 LYS A 90 -15.117 15.769 0.321 1.00 62.12 H new ATOM 0 HB3 LYS A 90 -15.235 14.718 -1.077 1.00 62.12 H new ATOM 0 HG2 LYS A 90 -14.733 12.781 0.589 1.00 14.12 H new ATOM 0 HG3 LYS A 90 -15.115 13.944 1.843 1.00 14.12 H new ATOM 0 HD2 LYS A 90 -17.355 14.230 1.057 1.00 24.30 H new ATOM 0 HD3 LYS A 90 -17.001 13.474 -0.484 1.00 24.30 H new ATOM 0 HE2 LYS A 90 -16.459 11.337 0.875 1.00 21.33 H new ATOM 0 HE3 LYS A 90 -17.217 12.143 2.235 1.00 21.33 H new ATOM 0 HZ1 LYS A 90 -18.717 10.686 0.914 1.00 0.40 H new ATOM 0 HZ2 LYS A 90 -19.269 12.285 1.065 1.00 0.40 H new ATOM 0 HZ3 LYS A 90 -18.565 11.764 -0.390 1.00 0.40 H new ATOM 1408 N ARG A 91 -11.956 12.807 0.000 1.00 52.31 N ATOM 1409 CA ARG A 91 -11.419 11.515 -0.409 1.00 11.13 C ATOM 1410 C ARG A 91 -12.519 10.458 -0.452 1.00 2.33 C ATOM 1411 O ARG A 91 -13.442 10.473 0.363 1.00 53.21 O ATOM 1412 CB ARG A 91 -10.311 11.074 0.549 1.00 24.42 C ATOM 1413 CG ARG A 91 -9.693 9.733 0.188 1.00 25.02 C ATOM 1414 CD ARG A 91 -8.472 9.433 1.044 1.00 3.43 C ATOM 1415 NE ARG A 91 -7.329 10.266 0.678 1.00 52.50 N ATOM 1416 CZ ARG A 91 -6.130 10.158 1.240 1.00 73.13 C ATOM 1417 NH1 ARG A 91 -5.918 9.255 2.187 1.00 55.40 N ATOM 1418 NH2 ARG A 91 -5.141 10.953 0.852 1.00 20.25 N ATOM 0 H ARG A 91 -11.652 13.117 0.923 1.00 52.31 H new ATOM 0 HA ARG A 91 -11.003 11.623 -1.411 1.00 11.13 H new ATOM 0 HB2 ARG A 91 -9.529 11.833 0.561 1.00 24.42 H new ATOM 0 HB3 ARG A 91 -10.717 11.018 1.559 1.00 24.42 H new ATOM 0 HG2 ARG A 91 -10.433 8.943 0.318 1.00 25.02 H new ATOM 0 HG3 ARG A 91 -9.410 9.733 -0.864 1.00 25.02 H new ATOM 0 HD2 ARG A 91 -8.717 9.594 2.094 1.00 3.43 H new ATOM 0 HD3 ARG A 91 -8.204 8.382 0.937 1.00 3.43 H new ATOM 0 HE ARG A 91 -7.459 10.969 -0.049 1.00 52.50 H new ATOM 0 HH11 ARG A 91 -6.676 8.641 2.486 1.00 55.40 H new ATOM 0 HH12 ARG A 91 -4.997 9.174 2.617 1.00 55.40 H new ATOM 0 HH21 ARG A 91 -5.301 11.647 0.122 1.00 20.25 H new ATOM 0 HH22 ARG A 91 -4.221 10.870 1.284 1.00 20.25 H new ATOM 1432 N PHE A 92 -12.414 9.542 -1.409 1.00 14.51 N ATOM 1433 CA PHE A 92 -13.401 8.478 -1.560 1.00 1.51 C ATOM 1434 C PHE A 92 -12.750 7.107 -1.404 1.00 13.52 C ATOM 1435 O PHE A 92 -13.379 6.160 -0.934 1.00 22.12 O ATOM 1436 CB PHE A 92 -14.085 8.579 -2.925 1.00 31.01 C ATOM 1437 CG PHE A 92 -15.288 9.479 -2.929 1.00 21.44 C ATOM 1438 CD1 PHE A 92 -15.193 10.784 -2.474 1.00 54.44 C ATOM 1439 CD2 PHE A 92 -16.512 9.019 -3.386 1.00 41.43 C ATOM 1440 CE1 PHE A 92 -16.298 11.615 -2.476 1.00 50.32 C ATOM 1441 CE2 PHE A 92 -17.620 9.846 -3.391 1.00 24.22 C ATOM 1442 CZ PHE A 92 -17.513 11.144 -2.935 1.00 14.44 C ATOM 0 H PHE A 92 -11.656 9.515 -2.091 1.00 14.51 H new ATOM 0 HA PHE A 92 -14.150 8.596 -0.777 1.00 1.51 H new ATOM 0 HB2 PHE A 92 -13.365 8.945 -3.657 1.00 31.01 H new ATOM 0 HB3 PHE A 92 -14.386 7.582 -3.246 1.00 31.01 H new ATOM 0 HD1 PHE A 92 -14.245 11.156 -2.114 1.00 54.44 H new ATOM 0 HD2 PHE A 92 -16.602 8.003 -3.742 1.00 41.43 H new ATOM 0 HE1 PHE A 92 -16.212 12.631 -2.119 1.00 50.32 H new ATOM 0 HE2 PHE A 92 -18.569 9.476 -3.752 1.00 24.22 H new ATOM 0 HZ PHE A 92 -18.378 11.791 -2.937 1.00 14.44 H new ATOM 1452 N GLY A 93 -11.486 7.010 -1.804 1.00 11.41 N ATOM 1453 CA GLY A 93 -10.771 5.751 -1.701 1.00 41.50 C ATOM 1454 C GLY A 93 -10.845 5.154 -0.310 1.00 45.40 C ATOM 1455 O GLY A 93 -9.826 5.017 0.368 1.00 20.41 O ATOM 0 H GLY A 93 -10.945 7.780 -2.197 1.00 11.41 H new ATOM 0 HA2 GLY A 93 -11.184 5.043 -2.419 1.00 41.50 H new ATOM 0 HA3 GLY A 93 -9.727 5.907 -1.971 1.00 41.50 H new TER 1459 GLY A 93