USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1105 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 113 GLN : amide:sc= -1.4! C(o=-1.3!,f=-5.1!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 153:sc= 0.0551 (180deg=0) USER MOD Set 2.1: A 112 MET CE :methyl -156:sc= -0.214 (180deg=-0.926) USER MOD Set 2.2: A 134 HIS : no HD1:sc= -0.0224 X(o=-0.24,f=-0.21) USER MOD Set 3.1: A 111 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=-0.012) USER MOD Set 3.2: A 115 ASN : amide:sc= 0 K(o=-0.061,f=-0.69) USER MOD Set 4.1: A 85 THR OG1 : rot -143:sc= 2.15 USER MOD Set 4.2: A 98 GLN : amide:sc= -2.02! C(o=0.13!,f=-6.4!) USER MOD Set 5.1: A 84 SER OG : rot 180:sc= -1.15 USER MOD Set 5.2: A 99 SER OG : rot 180:sc=-0.00803 USER MOD Set 6.1: A 66 SER OG : rot -137:sc= 2.41 USER MOD Set 6.2: A 69 SER OG : rot -91:sc= 1.18 USER MOD Set 7.1: A 47 THR OG1 : rot -170:sc= 0 USER MOD Set 7.2: A 61 GLN : amide:sc= -1! C(o=-1!,f=-4.8!) USER MOD Set 8.1: A 14 GLN : amide:sc= 0.535 K(o=1.1,f=-2.1) USER MOD Set 8.2: A 55 TYR OH : rot 21:sc= 0.526 USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0347 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.53) USER MOD Single : A 12 HIS : no HE2:sc= -0.155 X(o=-0.15,f=-0.52) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.0322 (180deg=-0.236) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 177:sc= -0.372 (180deg=-0.417) USER MOD Single : A 43 TYR OH : rot 0:sc= 1.19 USER MOD Single : A 51 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.54) USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= 0.621 (180deg=-0.16) USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= -0.19! (180deg=-0.742!) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.016 (180deg=-0.323) USER MOD Single : A 62 MET CE :methyl 154:sc=-0.00801 (180deg=-0.631) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= 0.0556 (180deg=-0.563!) USER MOD Single : A 72 ASN : amide:sc= -1.32 K(o=-1.3,f=-8.2!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= -0.725 K(o=-0.73,f=-1.6) USER MOD Single : A 94 SER OG : rot -11:sc= 1.67 USER MOD Single : A 102 GLN : amide:sc= -0.823 K(o=-0.82,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0277) USER MOD Single : A 124 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.09) USER MOD Single : A 135 MET CE :methyl 136:sc= -0.426 (180deg=-2.42!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 TYR OH : rot 165:sc= -0.307 USER MOD Single : A 139 SER OG : rot 8:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 36.662 14.768 5.692 1.00 0.00 N ATOM 2 CA ALA A 1 35.765 14.422 4.595 1.00 0.00 C ATOM 3 C ALA A 1 35.319 12.997 4.754 1.00 0.00 C ATOM 4 O ALA A 1 36.119 12.133 5.131 1.00 0.00 O ATOM 5 CB ALA A 1 36.464 14.601 3.259 1.00 0.00 C ATOM 0 H1 ALA A 1 37.511 15.233 5.312 1.00 0.00 H new ATOM 0 H2 ALA A 1 36.177 15.414 6.346 1.00 0.00 H new ATOM 0 H3 ALA A 1 36.938 13.904 6.200 1.00 0.00 H new ATOM 0 HA ALA A 1 34.899 15.083 4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 1 35.780 14.338 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 1 36.775 15.640 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 1 37.340 13.954 3.217 1.00 0.00 H new ATOM 13 N GLU A 2 34.063 12.735 4.494 1.00 0.00 N ATOM 14 CA GLU A 2 33.559 11.403 4.607 1.00 0.00 C ATOM 15 C GLU A 2 33.904 10.632 3.360 1.00 0.00 C ATOM 16 O GLU A 2 33.719 11.114 2.240 1.00 0.00 O ATOM 17 CB GLU A 2 32.070 11.405 4.862 1.00 0.00 C ATOM 18 CG GLU A 2 31.490 10.034 5.102 1.00 0.00 C ATOM 19 CD GLU A 2 30.065 10.095 5.533 1.00 0.00 C ATOM 20 OE1 GLU A 2 29.816 10.352 6.714 1.00 0.00 O ATOM 21 OE2 GLU A 2 29.164 9.820 4.721 1.00 0.00 O ATOM 0 H GLU A 2 33.376 13.431 4.203 1.00 0.00 H new ATOM 0 HA GLU A 2 34.027 10.915 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.860 12.034 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 2 31.566 11.858 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.567 9.444 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.077 9.521 5.864 1.00 0.00 H new ATOM 28 N VAL A 3 34.426 9.463 3.559 1.00 0.00 N ATOM 29 CA VAL A 3 34.889 8.619 2.489 1.00 0.00 C ATOM 30 C VAL A 3 34.381 7.210 2.685 1.00 0.00 C ATOM 31 O VAL A 3 33.723 6.914 3.691 1.00 0.00 O ATOM 32 CB VAL A 3 36.449 8.590 2.414 1.00 0.00 C ATOM 33 CG1 VAL A 3 37.013 9.943 2.002 1.00 0.00 C ATOM 34 CG2 VAL A 3 37.050 8.152 3.751 1.00 0.00 C ATOM 0 H VAL A 3 34.547 9.055 4.486 1.00 0.00 H new ATOM 0 HA VAL A 3 34.504 9.031 1.556 1.00 0.00 H new ATOM 0 HB VAL A 3 36.725 7.862 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 3 38.101 9.886 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 3 36.626 10.215 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 3 36.717 10.698 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 3 38.137 8.139 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 3 36.749 8.851 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 3 36.692 7.153 4.001 1.00 0.00 H new ATOM 44 N GLU A 4 34.672 6.362 1.737 1.00 0.00 N ATOM 45 CA GLU A 4 34.332 4.965 1.814 1.00 0.00 C ATOM 46 C GLU A 4 35.382 4.264 2.663 1.00 0.00 C ATOM 47 O GLU A 4 36.586 4.560 2.555 1.00 0.00 O ATOM 48 CB GLU A 4 34.272 4.377 0.412 1.00 0.00 C ATOM 49 CG GLU A 4 33.164 4.979 -0.444 1.00 0.00 C ATOM 50 CD GLU A 4 33.273 4.593 -1.891 1.00 0.00 C ATOM 51 OE1 GLU A 4 32.844 3.492 -2.264 1.00 0.00 O ATOM 52 OE2 GLU A 4 33.796 5.398 -2.696 1.00 0.00 O ATOM 0 H GLU A 4 35.157 6.623 0.879 1.00 0.00 H new ATOM 0 HA GLU A 4 33.353 4.829 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 4 35.231 4.534 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 4 34.123 3.300 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 4 32.197 4.656 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 4 33.195 6.065 -0.359 1.00 0.00 H new ATOM 59 N HIS A 5 34.948 3.376 3.510 1.00 0.00 N ATOM 60 CA HIS A 5 35.848 2.729 4.443 1.00 0.00 C ATOM 61 C HIS A 5 36.267 1.363 3.926 1.00 0.00 C ATOM 62 O HIS A 5 35.979 1.010 2.788 1.00 0.00 O ATOM 63 CB HIS A 5 35.206 2.603 5.833 1.00 0.00 C ATOM 64 CG HIS A 5 34.698 3.899 6.402 1.00 0.00 C ATOM 65 ND1 HIS A 5 35.501 4.861 6.971 1.00 0.00 N ATOM 66 CD2 HIS A 5 33.437 4.383 6.468 1.00 0.00 C ATOM 67 CE1 HIS A 5 34.729 5.874 7.355 1.00 0.00 C ATOM 68 NE2 HIS A 5 33.458 5.638 7.075 1.00 0.00 N ATOM 0 H HIS A 5 33.975 3.077 3.580 1.00 0.00 H new ATOM 0 HA HIS A 5 36.738 3.352 4.536 1.00 0.00 H new ATOM 0 HB2 HIS A 5 34.378 1.896 5.775 1.00 0.00 H new ATOM 0 HB3 HIS A 5 35.938 2.180 6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.553 3.877 6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 5 35.092 6.772 7.833 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.661 6.246 7.263 1.00 0.00 H new ATOM 76 N TYR A 6 36.953 0.606 4.760 1.00 0.00 N ATOM 77 CA TYR A 6 37.448 -0.712 4.399 1.00 0.00 C ATOM 78 C TYR A 6 36.322 -1.709 4.461 1.00 0.00 C ATOM 79 O TYR A 6 36.276 -2.686 3.698 1.00 0.00 O ATOM 80 CB TYR A 6 38.535 -1.136 5.370 1.00 0.00 C ATOM 81 CG TYR A 6 39.688 -0.179 5.464 1.00 0.00 C ATOM 82 CD1 TYR A 6 39.652 0.877 6.357 1.00 0.00 C ATOM 83 CD2 TYR A 6 40.816 -0.335 4.675 1.00 0.00 C ATOM 84 CE1 TYR A 6 40.701 1.751 6.464 1.00 0.00 C ATOM 85 CE2 TYR A 6 41.876 0.536 4.781 1.00 0.00 C ATOM 86 CZ TYR A 6 41.810 1.578 5.680 1.00 0.00 C ATOM 87 OH TYR A 6 42.870 2.447 5.802 1.00 0.00 O ATOM 0 H TYR A 6 37.185 0.888 5.713 1.00 0.00 H new ATOM 0 HA TYR A 6 37.853 -0.674 3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 6 38.095 -1.255 6.360 1.00 0.00 H new ATOM 0 HB3 TYR A 6 38.913 -2.113 5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 6 38.781 1.015 6.981 1.00 0.00 H new ATOM 0 HD2 TYR A 6 40.864 -1.150 3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 6 40.654 2.573 7.163 1.00 0.00 H new ATOM 0 HE2 TYR A 6 42.753 0.404 4.164 1.00 0.00 H new ATOM 0 HH TYR A 6 43.579 2.188 5.177 1.00 0.00 H new ATOM 97 N GLU A 7 35.432 -1.483 5.384 1.00 0.00 N ATOM 98 CA GLU A 7 34.282 -2.308 5.525 1.00 0.00 C ATOM 99 C GLU A 7 33.213 -1.831 4.562 1.00 0.00 C ATOM 100 O GLU A 7 33.028 -0.615 4.407 1.00 0.00 O ATOM 101 CB GLU A 7 33.750 -2.258 6.959 1.00 0.00 C ATOM 102 CG GLU A 7 34.706 -2.808 8.000 1.00 0.00 C ATOM 103 CD GLU A 7 35.017 -4.262 7.785 1.00 0.00 C ATOM 104 OE1 GLU A 7 34.160 -5.115 8.087 1.00 0.00 O ATOM 105 OE2 GLU A 7 36.110 -4.581 7.303 1.00 0.00 O ATOM 0 H GLU A 7 35.489 -0.719 6.057 1.00 0.00 H new ATOM 0 HA GLU A 7 34.554 -3.339 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 7 33.514 -1.224 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 7 32.817 -2.819 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 7 35.633 -2.234 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 7 34.274 -2.675 8.992 1.00 0.00 H new ATOM 112 N PRO A 8 32.545 -2.765 3.848 1.00 0.00 N ATOM 113 CA PRO A 8 31.398 -2.455 2.990 1.00 0.00 C ATOM 114 C PRO A 8 30.310 -1.672 3.749 1.00 0.00 C ATOM 115 O PRO A 8 30.345 -1.551 4.980 1.00 0.00 O ATOM 116 CB PRO A 8 30.855 -3.829 2.597 1.00 0.00 C ATOM 117 CG PRO A 8 31.583 -4.803 3.454 1.00 0.00 C ATOM 118 CD PRO A 8 32.889 -4.183 3.771 1.00 0.00 C ATOM 0 HA PRO A 8 31.686 -1.833 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 8 29.779 -3.888 2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 8 31.027 -4.031 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.022 -5.015 4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.719 -5.752 2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 8 33.299 -4.554 4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 8 33.632 -4.381 2.998 1.00 0.00 H new ATOM 126 N LEU A 9 29.312 -1.234 3.052 1.00 0.00 N ATOM 127 CA LEU A 9 28.359 -0.331 3.634 1.00 0.00 C ATOM 128 C LEU A 9 27.171 -1.134 4.062 1.00 0.00 C ATOM 129 O LEU A 9 26.578 -1.824 3.246 1.00 0.00 O ATOM 130 CB LEU A 9 27.940 0.739 2.589 1.00 0.00 C ATOM 131 CG LEU A 9 27.534 2.148 3.114 1.00 0.00 C ATOM 132 CD1 LEU A 9 26.318 2.111 4.028 1.00 0.00 C ATOM 133 CD2 LEU A 9 28.709 2.825 3.812 1.00 0.00 C ATOM 0 H LEU A 9 29.131 -1.483 2.080 1.00 0.00 H new ATOM 0 HA LEU A 9 28.792 0.185 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.767 0.867 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.101 0.340 2.019 1.00 0.00 H new ATOM 0 HG LEU A 9 27.253 2.736 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.083 3.122 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 9 25.467 1.701 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 9 26.532 1.483 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.402 3.808 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.031 2.215 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.535 2.937 3.109 1.00 0.00 H new ATOM 145 N GLN A 10 26.869 -1.098 5.331 1.00 0.00 N ATOM 146 CA GLN A 10 25.712 -1.749 5.849 1.00 0.00 C ATOM 147 C GLN A 10 24.509 -0.891 5.614 1.00 0.00 C ATOM 148 O GLN A 10 24.285 0.114 6.304 1.00 0.00 O ATOM 149 CB GLN A 10 25.837 -2.063 7.325 1.00 0.00 C ATOM 150 CG GLN A 10 26.739 -3.217 7.644 1.00 0.00 C ATOM 151 CD GLN A 10 26.815 -3.492 9.129 1.00 0.00 C ATOM 152 OE1 GLN A 10 26.719 -2.590 9.950 1.00 0.00 O ATOM 153 NE2 GLN A 10 26.929 -4.730 9.486 1.00 0.00 N ATOM 0 H GLN A 10 27.426 -0.612 6.033 1.00 0.00 H new ATOM 0 HA GLN A 10 25.608 -2.699 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.206 -1.177 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 10 24.845 -2.274 7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.381 -4.109 7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 10 27.739 -3.010 7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 10 27.007 -5.460 8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 10 26.941 -4.976 10.476 1.00 0.00 H new ATOM 162 N VAL A 11 23.777 -1.250 4.632 1.00 0.00 N ATOM 163 CA VAL A 11 22.606 -0.529 4.256 1.00 0.00 C ATOM 164 C VAL A 11 21.410 -1.226 4.800 1.00 0.00 C ATOM 165 O VAL A 11 21.216 -2.409 4.556 1.00 0.00 O ATOM 166 CB VAL A 11 22.421 -0.489 2.736 1.00 0.00 C ATOM 167 CG1 VAL A 11 21.345 0.496 2.334 1.00 0.00 C ATOM 168 CG2 VAL A 11 23.713 -0.240 2.017 1.00 0.00 C ATOM 0 H VAL A 11 23.970 -2.066 4.051 1.00 0.00 H new ATOM 0 HA VAL A 11 22.717 0.484 4.644 1.00 0.00 H new ATOM 0 HB VAL A 11 22.082 -1.478 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.241 0.498 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.398 0.206 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.620 1.494 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.533 -0.220 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.127 0.717 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.419 -1.036 2.252 1.00 0.00 H new ATOM 178 N HIS A 12 20.641 -0.537 5.541 1.00 0.00 N ATOM 179 CA HIS A 12 19.397 -1.049 5.968 1.00 0.00 C ATOM 180 C HIS A 12 18.367 -0.470 5.047 1.00 0.00 C ATOM 181 O HIS A 12 17.997 0.685 5.159 1.00 0.00 O ATOM 182 CB HIS A 12 19.112 -0.684 7.420 1.00 0.00 C ATOM 183 CG HIS A 12 20.106 -1.244 8.391 1.00 0.00 C ATOM 184 ND1 HIS A 12 21.276 -0.610 8.751 1.00 0.00 N ATOM 185 CD2 HIS A 12 20.091 -2.412 9.068 1.00 0.00 C ATOM 186 CE1 HIS A 12 21.922 -1.391 9.613 1.00 0.00 C ATOM 187 NE2 HIS A 12 21.243 -2.509 9.845 1.00 0.00 N ATOM 0 H HIS A 12 20.853 0.404 5.873 1.00 0.00 H new ATOM 0 HA HIS A 12 19.389 -2.138 5.929 1.00 0.00 H new ATOM 0 HB2 HIS A 12 19.097 0.402 7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 12 18.117 -1.041 7.686 1.00 0.00 H new ATOM 0 HD1 HIS A 12 21.592 0.300 8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 12 19.309 -3.155 9.015 1.00 0.00 H new ATOM 0 HE1 HIS A 12 22.873 -1.148 10.064 1.00 0.00 H new ATOM 195 N VAL A 13 17.994 -1.228 4.089 1.00 0.00 N ATOM 196 CA VAL A 13 17.068 -0.794 3.115 1.00 0.00 C ATOM 197 C VAL A 13 15.698 -1.367 3.390 1.00 0.00 C ATOM 198 O VAL A 13 15.508 -2.590 3.504 1.00 0.00 O ATOM 199 CB VAL A 13 17.571 -1.049 1.652 1.00 0.00 C ATOM 200 CG1 VAL A 13 17.866 -2.507 1.358 1.00 0.00 C ATOM 201 CG2 VAL A 13 16.617 -0.466 0.625 1.00 0.00 C ATOM 0 H VAL A 13 18.328 -2.183 3.956 1.00 0.00 H new ATOM 0 HA VAL A 13 16.980 0.290 3.193 1.00 0.00 H new ATOM 0 HB VAL A 13 18.524 -0.525 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.209 -2.608 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.641 -2.865 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 13 16.960 -3.097 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.998 -0.662 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.636 -0.927 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.532 0.610 0.777 1.00 0.00 H new ATOM 211 N GLN A 14 14.782 -0.477 3.597 1.00 0.00 N ATOM 212 CA GLN A 14 13.423 -0.814 3.824 1.00 0.00 C ATOM 213 C GLN A 14 12.777 -0.973 2.480 1.00 0.00 C ATOM 214 O GLN A 14 12.737 -0.030 1.686 1.00 0.00 O ATOM 215 CB GLN A 14 12.742 0.279 4.651 1.00 0.00 C ATOM 216 CG GLN A 14 11.263 0.055 4.916 1.00 0.00 C ATOM 217 CD GLN A 14 10.652 1.155 5.768 1.00 0.00 C ATOM 218 OE1 GLN A 14 11.320 1.757 6.621 1.00 0.00 O ATOM 219 NE2 GLN A 14 9.397 1.441 5.537 1.00 0.00 N ATOM 0 H GLN A 14 14.967 0.526 3.612 1.00 0.00 H new ATOM 0 HA GLN A 14 13.333 -1.741 4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.258 0.365 5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.863 1.232 4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.731 -0.002 3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.128 -0.904 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.878 0.924 4.827 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.937 2.181 6.067 1.00 0.00 H new ATOM 228 N LEU A 15 12.354 -2.157 2.201 1.00 0.00 N ATOM 229 CA LEU A 15 11.756 -2.457 0.953 1.00 0.00 C ATOM 230 C LEU A 15 10.256 -2.526 1.125 1.00 0.00 C ATOM 231 O LEU A 15 9.737 -3.447 1.765 1.00 0.00 O ATOM 232 CB LEU A 15 12.310 -3.787 0.415 1.00 0.00 C ATOM 233 CG LEU A 15 13.828 -3.865 0.207 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.224 -5.222 -0.353 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.314 -2.750 -0.702 1.00 0.00 C ATOM 0 H LEU A 15 12.415 -2.949 2.840 1.00 0.00 H new ATOM 0 HA LEU A 15 11.991 -1.675 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.019 -4.580 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.824 -3.998 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 15 14.306 -3.740 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.304 -5.257 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.923 -6.005 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.729 -5.379 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.393 -2.830 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.825 -2.833 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.073 -1.785 -0.255 1.00 0.00 H new ATOM 247 N GLU A 16 9.569 -1.542 0.615 1.00 0.00 N ATOM 248 CA GLU A 16 8.135 -1.513 0.692 1.00 0.00 C ATOM 249 C GLU A 16 7.601 -2.165 -0.543 1.00 0.00 C ATOM 250 O GLU A 16 8.134 -1.979 -1.613 1.00 0.00 O ATOM 251 CB GLU A 16 7.576 -0.080 0.733 1.00 0.00 C ATOM 252 CG GLU A 16 8.083 0.817 1.846 1.00 0.00 C ATOM 253 CD GLU A 16 7.367 2.162 1.855 1.00 0.00 C ATOM 254 OE1 GLU A 16 7.726 3.063 1.057 1.00 0.00 O ATOM 255 OE2 GLU A 16 6.423 2.341 2.660 1.00 0.00 O ATOM 0 H GLU A 16 9.984 -0.742 0.137 1.00 0.00 H new ATOM 0 HA GLU A 16 7.837 -2.023 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.800 0.400 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.491 -0.140 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.940 0.322 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.155 0.976 1.726 1.00 0.00 H new ATOM 262 N LYS A 17 6.612 -2.944 -0.401 1.00 0.00 N ATOM 263 CA LYS A 17 5.935 -3.513 -1.527 1.00 0.00 C ATOM 264 C LYS A 17 4.620 -2.793 -1.598 1.00 0.00 C ATOM 265 O LYS A 17 3.778 -3.029 -0.749 1.00 0.00 O ATOM 266 CB LYS A 17 5.697 -5.013 -1.309 1.00 0.00 C ATOM 267 CG LYS A 17 6.951 -5.854 -1.080 1.00 0.00 C ATOM 268 CD LYS A 17 7.826 -5.933 -2.319 1.00 0.00 C ATOM 269 CE LYS A 17 9.066 -6.790 -2.073 1.00 0.00 C ATOM 270 NZ LYS A 17 8.728 -8.184 -1.695 1.00 0.00 N ATOM 0 H LYS A 17 6.230 -3.220 0.504 1.00 0.00 H new ATOM 0 HA LYS A 17 6.516 -3.408 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.037 -5.137 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.169 -5.409 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.526 -5.428 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.661 -6.860 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.251 -6.351 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.129 -4.929 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.681 -6.800 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.665 -6.338 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.581 -8.776 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.361 -8.201 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.004 -8.554 -2.344 1.00 0.00 H new ATOM 284 N VAL A 18 4.425 -1.900 -2.561 1.00 0.00 N ATOM 285 CA VAL A 18 3.252 -1.086 -2.520 1.00 0.00 C ATOM 286 C VAL A 18 2.117 -1.723 -3.289 1.00 0.00 C ATOM 287 O VAL A 18 2.100 -1.772 -4.514 1.00 0.00 O ATOM 288 CB VAL A 18 3.544 0.409 -2.889 1.00 0.00 C ATOM 289 CG1 VAL A 18 2.270 1.204 -3.122 1.00 0.00 C ATOM 290 CG2 VAL A 18 4.321 1.046 -1.749 1.00 0.00 C ATOM 0 H VAL A 18 5.051 -1.735 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 18 2.909 -1.036 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 18 4.116 0.422 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.525 2.233 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.707 0.758 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.663 1.192 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.532 2.088 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.730 0.998 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.259 0.510 -1.603 1.00 0.00 H new ATOM 300 N TYR A 19 1.218 -2.284 -2.557 1.00 0.00 N ATOM 301 CA TYR A 19 0.110 -2.957 -3.131 1.00 0.00 C ATOM 302 C TYR A 19 -1.061 -2.031 -3.295 1.00 0.00 C ATOM 303 O TYR A 19 -1.284 -1.151 -2.466 1.00 0.00 O ATOM 304 CB TYR A 19 -0.246 -4.172 -2.317 1.00 0.00 C ATOM 305 CG TYR A 19 0.796 -5.266 -2.389 1.00 0.00 C ATOM 306 CD1 TYR A 19 0.799 -6.136 -3.450 1.00 0.00 C ATOM 307 CD2 TYR A 19 1.748 -5.445 -1.391 1.00 0.00 C ATOM 308 CE1 TYR A 19 1.709 -7.161 -3.541 1.00 0.00 C ATOM 309 CE2 TYR A 19 2.661 -6.479 -1.468 1.00 0.00 C ATOM 310 CZ TYR A 19 2.636 -7.332 -2.548 1.00 0.00 C ATOM 311 OH TYR A 19 3.532 -8.378 -2.623 1.00 0.00 O ATOM 0 H TYR A 19 1.233 -2.288 -1.537 1.00 0.00 H new ATOM 0 HA TYR A 19 0.390 -3.296 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.382 -3.877 -1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.201 -4.566 -2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.067 -6.012 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.774 -4.770 -0.548 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.693 -7.828 -4.390 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.391 -6.617 -0.684 1.00 0.00 H new ATOM 0 HH TYR A 19 4.123 -8.359 -1.842 1.00 0.00 H new ATOM 321 N LEU A 20 -1.793 -2.251 -4.370 1.00 0.00 N ATOM 322 CA LEU A 20 -2.920 -1.416 -4.791 1.00 0.00 C ATOM 323 C LEU A 20 -3.977 -1.316 -3.721 1.00 0.00 C ATOM 324 O LEU A 20 -4.498 -0.249 -3.456 1.00 0.00 O ATOM 325 CB LEU A 20 -3.561 -2.028 -6.027 1.00 0.00 C ATOM 326 CG LEU A 20 -2.655 -2.247 -7.227 1.00 0.00 C ATOM 327 CD1 LEU A 20 -3.412 -2.991 -8.295 1.00 0.00 C ATOM 328 CD2 LEU A 20 -2.150 -0.920 -7.762 1.00 0.00 C ATOM 0 H LEU A 20 -1.621 -3.036 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.531 -0.418 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.993 -2.989 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.386 -1.386 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.792 -2.838 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.764 -3.149 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.739 -3.955 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.282 -2.408 -8.597 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.503 -1.097 -8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.997 -0.304 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.587 -0.404 -6.984 1.00 0.00 H new ATOM 340 N ASP A 21 -4.260 -2.440 -3.109 1.00 0.00 N ATOM 341 CA ASP A 21 -5.321 -2.575 -2.102 1.00 0.00 C ATOM 342 C ASP A 21 -5.049 -1.782 -0.835 1.00 0.00 C ATOM 343 O ASP A 21 -5.971 -1.509 -0.058 1.00 0.00 O ATOM 344 CB ASP A 21 -5.500 -4.024 -1.742 1.00 0.00 C ATOM 345 CG ASP A 21 -4.225 -4.621 -1.285 1.00 0.00 C ATOM 346 OD1 ASP A 21 -3.427 -5.027 -2.145 1.00 0.00 O ATOM 347 OD2 ASP A 21 -3.982 -4.676 -0.075 1.00 0.00 O ATOM 0 H ASP A 21 -3.759 -3.310 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.228 -2.170 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.251 -4.117 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.873 -4.573 -2.606 1.00 0.00 H new ATOM 352 N GLY A 22 -3.812 -1.439 -0.607 1.00 0.00 N ATOM 353 CA GLY A 22 -3.503 -0.664 0.540 1.00 0.00 C ATOM 354 C GLY A 22 -2.655 -1.385 1.538 1.00 0.00 C ATOM 355 O GLY A 22 -2.051 -0.741 2.408 1.00 0.00 O ATOM 0 H GLY A 22 -3.017 -1.685 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.988 0.244 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.431 -0.355 1.020 1.00 0.00 H new ATOM 359 N ASP A 23 -2.607 -2.703 1.479 1.00 0.00 N ATOM 360 CA ASP A 23 -1.746 -3.415 2.396 1.00 0.00 C ATOM 361 C ASP A 23 -0.405 -3.589 1.767 1.00 0.00 C ATOM 362 O ASP A 23 -0.218 -4.411 0.880 1.00 0.00 O ATOM 363 CB ASP A 23 -2.317 -4.779 2.825 1.00 0.00 C ATOM 364 CG ASP A 23 -1.438 -5.462 3.864 1.00 0.00 C ATOM 365 OD1 ASP A 23 -1.244 -4.888 4.975 1.00 0.00 O ATOM 366 OD2 ASP A 23 -0.954 -6.580 3.624 1.00 0.00 O ATOM 0 H ASP A 23 -3.136 -3.284 0.828 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.667 -2.819 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.319 -4.641 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.413 -5.423 1.951 1.00 0.00 H new ATOM 371 N VAL A 24 0.532 -2.793 2.188 1.00 0.00 N ATOM 372 CA VAL A 24 1.835 -2.888 1.638 1.00 0.00 C ATOM 373 C VAL A 24 2.645 -3.819 2.515 1.00 0.00 C ATOM 374 O VAL A 24 2.255 -4.103 3.654 1.00 0.00 O ATOM 375 CB VAL A 24 2.548 -1.501 1.499 1.00 0.00 C ATOM 376 CG1 VAL A 24 1.630 -0.438 0.913 1.00 0.00 C ATOM 377 CG2 VAL A 24 3.205 -1.051 2.782 1.00 0.00 C ATOM 0 H VAL A 24 0.412 -2.078 2.906 1.00 0.00 H new ATOM 0 HA VAL A 24 1.753 -3.278 0.624 1.00 0.00 H new ATOM 0 HB VAL A 24 3.356 -1.644 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.169 0.506 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.299 -0.749 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.763 -0.309 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.683 -0.084 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.452 -0.961 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.955 -1.782 3.083 1.00 0.00 H new ATOM 387 N SER A 25 3.722 -4.303 2.027 1.00 0.00 N ATOM 388 CA SER A 25 4.531 -5.162 2.823 1.00 0.00 C ATOM 389 C SER A 25 5.864 -4.490 3.051 1.00 0.00 C ATOM 390 O SER A 25 6.442 -3.931 2.124 1.00 0.00 O ATOM 391 CB SER A 25 4.676 -6.521 2.154 1.00 0.00 C ATOM 392 OG SER A 25 5.174 -7.478 3.058 1.00 0.00 O ATOM 0 H SER A 25 4.069 -4.125 1.085 1.00 0.00 H new ATOM 0 HA SER A 25 4.063 -5.339 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.709 -6.846 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.347 -6.440 1.299 1.00 0.00 H new ATOM 0 HG SER A 25 5.257 -8.343 2.606 1.00 0.00 H new ATOM 398 N ILE A 26 6.310 -4.486 4.276 1.00 0.00 N ATOM 399 CA ILE A 26 7.543 -3.848 4.639 1.00 0.00 C ATOM 400 C ILE A 26 8.600 -4.899 4.922 1.00 0.00 C ATOM 401 O ILE A 26 8.420 -5.765 5.779 1.00 0.00 O ATOM 402 CB ILE A 26 7.361 -2.961 5.899 1.00 0.00 C ATOM 403 CG1 ILE A 26 6.270 -1.901 5.689 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.667 -2.299 6.308 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.534 -0.935 4.560 1.00 0.00 C ATOM 0 H ILE A 26 5.824 -4.929 5.056 1.00 0.00 H new ATOM 0 HA ILE A 26 7.855 -3.217 3.807 1.00 0.00 H new ATOM 0 HB ILE A 26 7.045 -3.620 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.323 -2.407 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.151 -1.335 6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.502 -1.686 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.409 -3.065 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.027 -1.671 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.710 -0.225 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.462 -0.396 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.621 -1.485 3.623 1.00 0.00 H new ATOM 417 N GLU A 27 9.661 -4.836 4.193 1.00 0.00 N ATOM 418 CA GLU A 27 10.776 -5.714 4.367 1.00 0.00 C ATOM 419 C GLU A 27 11.979 -4.903 4.843 1.00 0.00 C ATOM 420 O GLU A 27 12.117 -3.728 4.492 1.00 0.00 O ATOM 421 CB GLU A 27 11.078 -6.414 3.036 1.00 0.00 C ATOM 422 CG GLU A 27 12.346 -7.244 3.021 1.00 0.00 C ATOM 423 CD GLU A 27 12.278 -8.429 3.946 1.00 0.00 C ATOM 424 OE1 GLU A 27 12.497 -8.257 5.158 1.00 0.00 O ATOM 425 OE2 GLU A 27 12.021 -9.556 3.475 1.00 0.00 O ATOM 0 H GLU A 27 9.784 -4.158 3.441 1.00 0.00 H new ATOM 0 HA GLU A 27 10.550 -6.474 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.237 -7.059 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.147 -5.659 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.535 -7.592 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.190 -6.615 3.305 1.00 0.00 H new ATOM 432 N HIS A 28 12.826 -5.520 5.627 1.00 0.00 N ATOM 433 CA HIS A 28 14.007 -4.879 6.158 1.00 0.00 C ATOM 434 C HIS A 28 15.224 -5.668 5.739 1.00 0.00 C ATOM 435 O HIS A 28 15.477 -6.776 6.235 1.00 0.00 O ATOM 436 CB HIS A 28 13.966 -4.778 7.691 1.00 0.00 C ATOM 437 CG HIS A 28 12.823 -3.969 8.233 1.00 0.00 C ATOM 438 ND1 HIS A 28 12.142 -4.273 9.390 1.00 0.00 N ATOM 439 CD2 HIS A 28 12.280 -2.828 7.771 1.00 0.00 C ATOM 440 CE1 HIS A 28 11.227 -3.328 9.591 1.00 0.00 C ATOM 441 NE2 HIS A 28 11.268 -2.417 8.635 1.00 0.00 N ATOM 0 H HIS A 28 12.716 -6.491 5.919 1.00 0.00 H new ATOM 0 HA HIS A 28 14.050 -3.865 5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.912 -5.784 8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.901 -4.339 8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.582 -2.312 6.871 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.541 -3.308 10.425 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.682 -1.587 8.548 1.00 0.00 H new ATOM 449 N LYS A 29 15.955 -5.110 4.852 1.00 0.00 N ATOM 450 CA LYS A 29 17.128 -5.723 4.296 1.00 0.00 C ATOM 451 C LYS A 29 18.363 -5.050 4.803 1.00 0.00 C ATOM 452 O LYS A 29 18.524 -3.863 4.633 1.00 0.00 O ATOM 453 CB LYS A 29 17.081 -5.594 2.782 1.00 0.00 C ATOM 454 CG LYS A 29 16.298 -6.663 2.057 1.00 0.00 C ATOM 455 CD LYS A 29 17.089 -7.954 1.899 1.00 0.00 C ATOM 456 CE LYS A 29 18.354 -7.737 1.053 1.00 0.00 C ATOM 457 NZ LYS A 29 19.068 -9.003 0.759 1.00 0.00 N ATOM 0 H LYS A 29 15.759 -4.184 4.471 1.00 0.00 H new ATOM 0 HA LYS A 29 17.152 -6.772 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.653 -4.623 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.103 -5.599 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.377 -6.869 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.009 -6.294 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.368 -8.334 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.461 -8.712 1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.081 -7.252 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.026 -7.059 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.912 -8.800 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.354 -9.455 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.439 -9.642 0.233 1.00 0.00 H new ATOM 471 N HIS A 30 19.214 -5.784 5.445 1.00 0.00 N ATOM 472 CA HIS A 30 20.477 -5.222 5.835 1.00 0.00 C ATOM 473 C HIS A 30 21.550 -5.803 4.947 1.00 0.00 C ATOM 474 O HIS A 30 21.896 -6.982 5.047 1.00 0.00 O ATOM 475 CB HIS A 30 20.795 -5.406 7.350 1.00 0.00 C ATOM 476 CG HIS A 30 20.841 -6.828 7.871 1.00 0.00 C ATOM 477 ND1 HIS A 30 21.996 -7.572 7.973 1.00 0.00 N ATOM 478 CD2 HIS A 30 19.854 -7.617 8.357 1.00 0.00 C ATOM 479 CE1 HIS A 30 21.693 -8.749 8.494 1.00 0.00 C ATOM 480 NE2 HIS A 30 20.399 -8.837 8.755 1.00 0.00 N ATOM 0 H HIS A 30 19.067 -6.758 5.709 1.00 0.00 H new ATOM 0 HA HIS A 30 20.434 -4.141 5.700 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.758 -4.938 7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.047 -4.858 7.923 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.811 -7.345 8.425 1.00 0.00 H new ATOM 0 HE1 HIS A 30 22.409 -9.536 8.682 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.904 -9.631 9.162 1.00 0.00 H new ATOM 488 N GLU A 31 22.069 -5.010 4.072 1.00 0.00 N ATOM 489 CA GLU A 31 23.034 -5.532 3.157 1.00 0.00 C ATOM 490 C GLU A 31 24.250 -4.707 3.055 1.00 0.00 C ATOM 491 O GLU A 31 24.199 -3.487 3.054 1.00 0.00 O ATOM 492 CB GLU A 31 22.452 -5.800 1.777 1.00 0.00 C ATOM 493 CG GLU A 31 21.949 -4.614 1.006 1.00 0.00 C ATOM 494 CD GLU A 31 21.288 -5.076 -0.261 1.00 0.00 C ATOM 495 OE1 GLU A 31 22.002 -5.499 -1.211 1.00 0.00 O ATOM 496 OE2 GLU A 31 20.066 -5.086 -0.316 1.00 0.00 O ATOM 0 H GLU A 31 21.850 -4.019 3.968 1.00 0.00 H new ATOM 0 HA GLU A 31 23.331 -6.489 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.216 -6.294 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.629 -6.506 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.241 -4.048 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.776 -3.943 0.772 1.00 0.00 H new ATOM 503 N LYS A 32 25.342 -5.379 3.045 1.00 0.00 N ATOM 504 CA LYS A 32 26.582 -4.789 2.798 1.00 0.00 C ATOM 505 C LYS A 32 26.827 -4.636 1.339 1.00 0.00 C ATOM 506 O LYS A 32 26.595 -5.552 0.544 1.00 0.00 O ATOM 507 CB LYS A 32 27.665 -5.585 3.418 1.00 0.00 C ATOM 508 CG LYS A 32 27.730 -5.399 4.882 1.00 0.00 C ATOM 509 CD LYS A 32 28.814 -6.242 5.482 1.00 0.00 C ATOM 510 CE LYS A 32 29.067 -5.780 6.870 1.00 0.00 C ATOM 511 NZ LYS A 32 29.965 -6.669 7.642 1.00 0.00 N ATOM 0 H LYS A 32 25.387 -6.384 3.215 1.00 0.00 H new ATOM 0 HA LYS A 32 26.573 -3.795 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 32 27.510 -6.641 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 32 28.620 -5.302 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.912 -4.349 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.771 -5.661 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 32 28.520 -7.292 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 32 29.724 -6.166 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 32 29.501 -4.781 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.115 -5.697 7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 30.096 -6.284 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 29.544 -7.618 7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 30.887 -6.730 7.165 1.00 0.00 H new ATOM 525 N VAL A 33 27.247 -3.483 0.988 1.00 0.00 N ATOM 526 CA VAL A 33 27.593 -3.171 -0.355 1.00 0.00 C ATOM 527 C VAL A 33 28.826 -2.302 -0.399 1.00 0.00 C ATOM 528 O VAL A 33 28.975 -1.410 0.403 1.00 0.00 O ATOM 529 CB VAL A 33 26.390 -2.577 -1.140 1.00 0.00 C ATOM 530 CG1 VAL A 33 25.498 -1.749 -0.281 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.828 -1.793 -2.319 1.00 0.00 C ATOM 0 H VAL A 33 27.365 -2.706 1.638 1.00 0.00 H new ATOM 0 HA VAL A 33 27.844 -4.098 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 33 25.815 -3.435 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.675 -1.359 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.100 -2.362 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 33 26.066 -0.919 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.955 -1.397 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 33 27.461 -0.968 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.391 -2.437 -2.995 1.00 0.00 H new ATOM 541 N PHE A 34 29.715 -2.605 -1.301 1.00 0.00 N ATOM 542 CA PHE A 34 30.971 -1.910 -1.408 1.00 0.00 C ATOM 543 C PHE A 34 30.799 -0.636 -2.214 1.00 0.00 C ATOM 544 O PHE A 34 31.407 0.385 -1.909 1.00 0.00 O ATOM 545 CB PHE A 34 32.024 -2.799 -2.079 1.00 0.00 C ATOM 546 CG PHE A 34 32.409 -4.064 -1.336 1.00 0.00 C ATOM 547 CD1 PHE A 34 31.453 -4.993 -0.946 1.00 0.00 C ATOM 548 CD2 PHE A 34 33.738 -4.341 -1.081 1.00 0.00 C ATOM 549 CE1 PHE A 34 31.814 -6.161 -0.318 1.00 0.00 C ATOM 550 CE2 PHE A 34 34.105 -5.507 -0.444 1.00 0.00 C ATOM 551 CZ PHE A 34 33.140 -6.418 -0.064 1.00 0.00 C ATOM 0 H PHE A 34 29.590 -3.347 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 34 31.307 -1.659 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.655 -3.081 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.925 -2.205 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 34 30.409 -4.794 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 34 34.498 -3.636 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 34 31.058 -6.875 -0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 34 35.147 -5.708 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 34 33.427 -7.333 0.433 1.00 0.00 H new ATOM 561 N SER A 35 29.977 -0.686 -3.233 1.00 0.00 N ATOM 562 CA SER A 35 29.767 0.456 -4.072 1.00 0.00 C ATOM 563 C SER A 35 28.307 0.805 -4.091 1.00 0.00 C ATOM 564 O SER A 35 27.497 0.013 -4.529 1.00 0.00 O ATOM 565 CB SER A 35 30.259 0.175 -5.495 1.00 0.00 C ATOM 566 OG SER A 35 30.101 1.310 -6.330 1.00 0.00 O ATOM 0 H SER A 35 29.442 -1.513 -3.498 1.00 0.00 H new ATOM 0 HA SER A 35 30.334 1.297 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 35 31.309 -0.115 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.706 -0.666 -5.913 1.00 0.00 H new ATOM 0 HG SER A 35 30.425 1.101 -7.231 1.00 0.00 H new ATOM 572 N MET A 36 27.969 1.993 -3.632 1.00 0.00 N ATOM 573 CA MET A 36 26.582 2.461 -3.611 1.00 0.00 C ATOM 574 C MET A 36 25.924 2.371 -4.973 1.00 0.00 C ATOM 575 O MET A 36 24.740 2.120 -5.069 1.00 0.00 O ATOM 576 CB MET A 36 26.492 3.875 -3.050 1.00 0.00 C ATOM 577 CG MET A 36 26.635 3.920 -1.542 1.00 0.00 C ATOM 578 SD MET A 36 25.083 4.328 -0.699 1.00 0.00 S ATOM 579 CE MET A 36 23.964 3.092 -1.361 1.00 0.00 C ATOM 0 H MET A 36 28.640 2.666 -3.262 1.00 0.00 H new ATOM 0 HA MET A 36 26.030 1.794 -2.949 1.00 0.00 H new ATOM 0 HB2 MET A 36 27.270 4.490 -3.502 1.00 0.00 H new ATOM 0 HB3 MET A 36 25.535 4.313 -3.333 1.00 0.00 H new ATOM 0 HG2 MET A 36 26.992 2.953 -1.187 1.00 0.00 H new ATOM 0 HG3 MET A 36 27.392 4.657 -1.276 1.00 0.00 H new ATOM 0 HE1 MET A 36 22.988 3.194 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 36 23.862 3.233 -2.437 1.00 0.00 H new ATOM 0 HE3 MET A 36 24.362 2.097 -1.162 1.00 0.00 H new ATOM 589 N ASP A 37 26.728 2.488 -6.007 1.00 0.00 N ATOM 590 CA ASP A 37 26.261 2.404 -7.403 1.00 0.00 C ATOM 591 C ASP A 37 25.684 1.034 -7.685 1.00 0.00 C ATOM 592 O ASP A 37 24.651 0.903 -8.326 1.00 0.00 O ATOM 593 CB ASP A 37 27.406 2.672 -8.377 1.00 0.00 C ATOM 594 CG ASP A 37 27.018 2.409 -9.822 1.00 0.00 C ATOM 595 OD1 ASP A 37 26.415 3.291 -10.458 1.00 0.00 O ATOM 596 OD2 ASP A 37 27.329 1.321 -10.348 1.00 0.00 O ATOM 0 H ASP A 37 27.732 2.645 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 37 25.490 3.162 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 37 27.730 3.708 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 37 28.257 2.044 -8.113 1.00 0.00 H new ATOM 601 N ASP A 38 26.337 0.028 -7.139 1.00 0.00 N ATOM 602 CA ASP A 38 25.941 -1.379 -7.284 1.00 0.00 C ATOM 603 C ASP A 38 24.570 -1.555 -6.685 1.00 0.00 C ATOM 604 O ASP A 38 23.693 -2.206 -7.254 1.00 0.00 O ATOM 605 CB ASP A 38 26.930 -2.241 -6.508 1.00 0.00 C ATOM 606 CG ASP A 38 26.654 -3.723 -6.534 1.00 0.00 C ATOM 607 OD1 ASP A 38 25.832 -4.204 -5.738 1.00 0.00 O ATOM 608 OD2 ASP A 38 27.308 -4.441 -7.286 1.00 0.00 O ATOM 0 H ASP A 38 27.174 0.156 -6.570 1.00 0.00 H new ATOM 0 HA ASP A 38 25.932 -1.667 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.929 -2.067 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.940 -1.908 -5.470 1.00 0.00 H new ATOM 613 N PHE A 39 24.394 -0.917 -5.554 1.00 0.00 N ATOM 614 CA PHE A 39 23.174 -0.938 -4.817 1.00 0.00 C ATOM 615 C PHE A 39 22.074 -0.187 -5.582 1.00 0.00 C ATOM 616 O PHE A 39 20.944 -0.667 -5.697 1.00 0.00 O ATOM 617 CB PHE A 39 23.423 -0.310 -3.453 1.00 0.00 C ATOM 618 CG PHE A 39 22.229 -0.284 -2.562 1.00 0.00 C ATOM 619 CD1 PHE A 39 21.352 0.768 -2.602 1.00 0.00 C ATOM 620 CD2 PHE A 39 21.984 -1.326 -1.683 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.253 0.793 -1.790 1.00 0.00 C ATOM 622 CE2 PHE A 39 20.882 -1.308 -0.863 1.00 0.00 C ATOM 623 CZ PHE A 39 20.014 -0.241 -0.920 1.00 0.00 C ATOM 0 H PHE A 39 25.123 -0.355 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 39 22.834 -1.965 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.222 -0.858 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 39 23.778 0.711 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 39 21.531 1.587 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.667 -2.162 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.571 1.629 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.698 -2.124 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.145 -0.218 -0.280 1.00 0.00 H new ATOM 633 N TRP A 40 22.410 0.989 -6.115 1.00 0.00 N ATOM 634 CA TRP A 40 21.447 1.783 -6.872 1.00 0.00 C ATOM 635 C TRP A 40 21.018 1.051 -8.115 1.00 0.00 C ATOM 636 O TRP A 40 19.872 1.121 -8.511 1.00 0.00 O ATOM 637 CB TRP A 40 21.993 3.160 -7.265 1.00 0.00 C ATOM 638 CG TRP A 40 22.420 4.021 -6.116 1.00 0.00 C ATOM 639 CD1 TRP A 40 23.577 4.728 -6.024 1.00 0.00 C ATOM 640 CD2 TRP A 40 21.716 4.254 -4.888 1.00 0.00 C ATOM 641 NE1 TRP A 40 23.645 5.365 -4.819 1.00 0.00 N ATOM 642 CE2 TRP A 40 22.518 5.096 -4.107 1.00 0.00 C ATOM 643 CE3 TRP A 40 20.489 3.834 -4.368 1.00 0.00 C ATOM 644 CZ2 TRP A 40 22.140 5.516 -2.845 1.00 0.00 C ATOM 645 CZ3 TRP A 40 20.119 4.257 -3.119 1.00 0.00 C ATOM 646 CH2 TRP A 40 20.938 5.081 -2.372 1.00 0.00 C ATOM 0 H TRP A 40 23.336 1.409 -6.036 1.00 0.00 H new ATOM 0 HA TRP A 40 20.593 1.937 -6.213 1.00 0.00 H new ATOM 0 HB2 TRP A 40 22.844 3.020 -7.931 1.00 0.00 H new ATOM 0 HB3 TRP A 40 21.228 3.690 -7.832 1.00 0.00 H new ATOM 0 HD1 TRP A 40 24.333 4.778 -6.793 1.00 0.00 H new ATOM 0 HE1 TRP A 40 24.418 5.950 -4.503 1.00 0.00 H new ATOM 0 HE3 TRP A 40 19.843 3.186 -4.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 22.773 6.164 -2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 19.170 3.941 -2.711 1.00 0.00 H new ATOM 0 HH2 TRP A 40 20.618 5.389 -1.388 1.00 0.00 H new ATOM 657 N ALA A 41 21.940 0.350 -8.715 1.00 0.00 N ATOM 658 CA ALA A 41 21.655 -0.424 -9.910 1.00 0.00 C ATOM 659 C ALA A 41 20.799 -1.625 -9.560 1.00 0.00 C ATOM 660 O ALA A 41 19.906 -2.014 -10.322 1.00 0.00 O ATOM 661 CB ALA A 41 22.943 -0.855 -10.595 1.00 0.00 C ATOM 0 H ALA A 41 22.908 0.294 -8.398 1.00 0.00 H new ATOM 0 HA ALA A 41 21.102 0.204 -10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 41 22.704 -1.433 -11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.518 0.027 -10.877 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.531 -1.468 -9.912 1.00 0.00 H new ATOM 667 N ALA A 42 21.044 -2.179 -8.389 1.00 0.00 N ATOM 668 CA ALA A 42 20.294 -3.317 -7.915 1.00 0.00 C ATOM 669 C ALA A 42 18.839 -2.941 -7.642 1.00 0.00 C ATOM 670 O ALA A 42 17.925 -3.704 -7.945 1.00 0.00 O ATOM 671 CB ALA A 42 20.937 -3.888 -6.664 1.00 0.00 C ATOM 0 H ALA A 42 21.765 -1.853 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 42 20.305 -4.079 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.361 -4.746 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.956 -4.203 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.957 -3.126 -5.885 1.00 0.00 H new ATOM 677 N TYR A 43 18.621 -1.761 -7.097 1.00 0.00 N ATOM 678 CA TYR A 43 17.285 -1.330 -6.742 1.00 0.00 C ATOM 679 C TYR A 43 16.777 -0.224 -7.642 1.00 0.00 C ATOM 680 O TYR A 43 15.818 0.447 -7.304 1.00 0.00 O ATOM 681 CB TYR A 43 17.240 -0.908 -5.271 1.00 0.00 C ATOM 682 CG TYR A 43 17.478 -2.063 -4.330 1.00 0.00 C ATOM 683 CD1 TYR A 43 18.753 -2.411 -3.910 1.00 0.00 C ATOM 684 CD2 TYR A 43 16.420 -2.830 -3.893 1.00 0.00 C ATOM 685 CE1 TYR A 43 18.952 -3.497 -3.083 1.00 0.00 C ATOM 686 CE2 TYR A 43 16.608 -3.905 -3.066 1.00 0.00 C ATOM 687 CZ TYR A 43 17.869 -4.239 -2.665 1.00 0.00 C ATOM 688 OH TYR A 43 18.049 -5.330 -1.854 1.00 0.00 O ATOM 0 H TYR A 43 19.354 -1.083 -6.890 1.00 0.00 H new ATOM 0 HA TYR A 43 16.617 -2.179 -6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.992 -0.139 -5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.270 -0.461 -5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.600 -1.825 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.419 -2.577 -4.210 1.00 0.00 H new ATOM 0 HE1 TYR A 43 19.949 -3.764 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.761 -4.487 -2.732 1.00 0.00 H new ATOM 0 HH TYR A 43 19.004 -5.444 -1.667 1.00 0.00 H new ATOM 698 N ALA A 44 17.401 -0.068 -8.799 1.00 0.00 N ATOM 699 CA ALA A 44 17.002 0.940 -9.799 1.00 0.00 C ATOM 700 C ALA A 44 15.507 0.879 -10.169 1.00 0.00 C ATOM 701 O ALA A 44 14.895 1.901 -10.492 1.00 0.00 O ATOM 702 CB ALA A 44 17.853 0.811 -11.056 1.00 0.00 C ATOM 0 H ALA A 44 18.202 -0.633 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 44 17.171 1.911 -9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.545 1.563 -11.783 1.00 0.00 H new ATOM 0 HB2 ALA A 44 18.902 0.961 -10.802 1.00 0.00 H new ATOM 0 HB3 ALA A 44 17.722 -0.183 -11.484 1.00 0.00 H new ATOM 708 N GLY A 45 14.927 -0.309 -10.122 1.00 0.00 N ATOM 709 CA GLY A 45 13.529 -0.455 -10.469 1.00 0.00 C ATOM 710 C GLY A 45 12.583 -0.088 -9.332 1.00 0.00 C ATOM 711 O GLY A 45 11.379 0.012 -9.526 1.00 0.00 O ATOM 0 H GLY A 45 15.397 -1.173 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.309 0.173 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.342 -1.486 -10.769 1.00 0.00 H new ATOM 715 N TRP A 46 13.112 0.023 -8.145 1.00 0.00 N ATOM 716 CA TRP A 46 12.358 0.419 -6.985 1.00 0.00 C ATOM 717 C TRP A 46 12.306 1.947 -6.926 1.00 0.00 C ATOM 718 O TRP A 46 13.206 2.631 -7.447 1.00 0.00 O ATOM 719 CB TRP A 46 13.054 -0.087 -5.719 1.00 0.00 C ATOM 720 CG TRP A 46 13.246 -1.553 -5.621 1.00 0.00 C ATOM 721 CD1 TRP A 46 14.021 -2.335 -6.414 1.00 0.00 C ATOM 722 CD2 TRP A 46 12.692 -2.407 -4.640 1.00 0.00 C ATOM 723 NE1 TRP A 46 13.926 -3.634 -6.024 1.00 0.00 N ATOM 724 CE2 TRP A 46 13.123 -3.708 -4.931 1.00 0.00 C ATOM 725 CE3 TRP A 46 11.852 -2.202 -3.554 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.745 -4.798 -4.180 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.473 -3.284 -2.809 1.00 0.00 C ATOM 728 CH2 TRP A 46 11.921 -4.569 -3.130 1.00 0.00 C ATOM 0 H TRP A 46 14.096 -0.162 -7.952 1.00 0.00 H new ATOM 0 HA TRP A 46 11.353 0.001 -7.048 1.00 0.00 H new ATOM 0 HB2 TRP A 46 14.031 0.392 -5.650 1.00 0.00 H new ATOM 0 HB3 TRP A 46 12.476 0.242 -4.855 1.00 0.00 H new ATOM 0 HD1 TRP A 46 14.625 -1.978 -7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.383 -4.424 -6.478 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.506 -1.210 -3.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.091 -5.793 -4.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.819 -3.144 -1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.601 -5.403 -2.523 1.00 0.00 H new ATOM 739 N THR A 47 11.287 2.473 -6.308 1.00 0.00 N ATOM 740 CA THR A 47 11.139 3.871 -6.131 1.00 0.00 C ATOM 741 C THR A 47 11.917 4.270 -4.874 1.00 0.00 C ATOM 742 O THR A 47 11.620 3.769 -3.781 1.00 0.00 O ATOM 743 CB THR A 47 9.662 4.181 -5.890 1.00 0.00 C ATOM 744 OG1 THR A 47 8.837 3.543 -6.881 1.00 0.00 O ATOM 745 CG2 THR A 47 9.405 5.668 -5.883 1.00 0.00 C ATOM 0 H THR A 47 10.527 1.923 -5.909 1.00 0.00 H new ATOM 0 HA THR A 47 11.502 4.408 -7.007 1.00 0.00 H new ATOM 0 HB THR A 47 9.402 3.786 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.919 3.877 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.345 5.853 -5.709 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.990 6.135 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.694 6.092 -6.845 1.00 0.00 H new ATOM 753 N LEU A 48 12.916 5.105 -5.025 1.00 0.00 N ATOM 754 CA LEU A 48 13.680 5.592 -3.896 1.00 0.00 C ATOM 755 C LEU A 48 12.832 6.633 -3.200 1.00 0.00 C ATOM 756 O LEU A 48 12.549 7.682 -3.766 1.00 0.00 O ATOM 757 CB LEU A 48 15.047 6.169 -4.400 1.00 0.00 C ATOM 758 CG LEU A 48 16.133 6.623 -3.369 1.00 0.00 C ATOM 759 CD1 LEU A 48 15.849 7.970 -2.740 1.00 0.00 C ATOM 760 CD2 LEU A 48 16.318 5.592 -2.285 1.00 0.00 C ATOM 0 H LEU A 48 13.223 5.466 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 48 13.918 4.798 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.503 5.412 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.823 7.027 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 48 17.052 6.725 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.644 8.218 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.802 8.732 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.896 7.931 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.078 5.934 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.376 5.446 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.634 4.649 -2.730 1.00 0.00 H new ATOM 772 N VAL A 49 12.373 6.322 -2.015 1.00 0.00 N ATOM 773 CA VAL A 49 11.547 7.252 -1.296 1.00 0.00 C ATOM 774 C VAL A 49 12.439 8.206 -0.537 1.00 0.00 C ATOM 775 O VAL A 49 12.280 9.423 -0.631 1.00 0.00 O ATOM 776 CB VAL A 49 10.503 6.560 -0.365 1.00 0.00 C ATOM 777 CG1 VAL A 49 9.635 7.596 0.324 1.00 0.00 C ATOM 778 CG2 VAL A 49 9.637 5.619 -1.178 1.00 0.00 C ATOM 0 H VAL A 49 12.555 5.442 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 49 10.948 7.806 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 49 11.036 5.992 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.913 7.095 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.262 8.255 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.105 8.184 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.909 5.138 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.114 6.182 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.264 4.859 -1.644 1.00 0.00 H new ATOM 788 N GLU A 50 13.426 7.660 0.144 1.00 0.00 N ATOM 789 CA GLU A 50 14.400 8.467 0.836 1.00 0.00 C ATOM 790 C GLU A 50 15.617 7.638 1.127 1.00 0.00 C ATOM 791 O GLU A 50 15.581 6.416 1.022 1.00 0.00 O ATOM 792 CB GLU A 50 13.860 9.052 2.153 1.00 0.00 C ATOM 793 CG GLU A 50 13.506 8.024 3.198 1.00 0.00 C ATOM 794 CD GLU A 50 13.189 8.645 4.518 1.00 0.00 C ATOM 795 OE1 GLU A 50 14.124 8.877 5.306 1.00 0.00 O ATOM 796 OE2 GLU A 50 12.002 8.934 4.793 1.00 0.00 O ATOM 0 H GLU A 50 13.572 6.654 0.231 1.00 0.00 H new ATOM 0 HA GLU A 50 14.647 9.305 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.606 9.730 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.974 9.648 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.649 7.443 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.337 7.328 3.316 1.00 0.00 H new ATOM 803 N GLN A 51 16.680 8.293 1.442 1.00 0.00 N ATOM 804 CA GLN A 51 17.883 7.666 1.864 1.00 0.00 C ATOM 805 C GLN A 51 18.594 8.514 2.891 1.00 0.00 C ATOM 806 O GLN A 51 18.450 9.742 2.905 1.00 0.00 O ATOM 807 CB GLN A 51 18.791 7.391 0.688 1.00 0.00 C ATOM 808 CG GLN A 51 19.121 8.596 -0.174 1.00 0.00 C ATOM 809 CD GLN A 51 20.095 8.221 -1.244 1.00 0.00 C ATOM 810 OE1 GLN A 51 21.309 8.353 -1.083 1.00 0.00 O ATOM 811 NE2 GLN A 51 19.586 7.682 -2.310 1.00 0.00 N ATOM 0 H GLN A 51 16.737 9.311 1.412 1.00 0.00 H new ATOM 0 HA GLN A 51 17.622 6.712 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.723 6.966 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.324 6.633 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.210 8.989 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.539 9.390 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.574 7.592 -2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.198 7.348 -3.055 1.00 0.00 H new ATOM 820 N LYS A 52 19.301 7.849 3.754 1.00 0.00 N ATOM 821 CA LYS A 52 20.128 8.449 4.762 1.00 0.00 C ATOM 822 C LYS A 52 21.330 7.541 4.990 1.00 0.00 C ATOM 823 O LYS A 52 21.379 6.432 4.441 1.00 0.00 O ATOM 824 CB LYS A 52 19.340 8.722 6.066 1.00 0.00 C ATOM 825 CG LYS A 52 18.431 7.582 6.510 1.00 0.00 C ATOM 826 CD LYS A 52 17.851 7.782 7.899 1.00 0.00 C ATOM 827 CE LYS A 52 16.970 8.987 7.985 1.00 0.00 C ATOM 828 NZ LYS A 52 15.599 8.746 7.471 1.00 0.00 N ATOM 0 H LYS A 52 19.319 6.829 3.777 1.00 0.00 H new ATOM 0 HA LYS A 52 20.474 9.426 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.049 8.936 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.735 9.618 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.615 7.478 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.994 6.649 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.280 6.898 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.664 7.879 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.910 9.312 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.424 9.802 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.939 9.414 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.586 8.882 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.310 7.772 7.695 1.00 0.00 H new ATOM 842 N LYS A 53 22.277 7.969 5.782 1.00 0.00 N ATOM 843 CA LYS A 53 23.504 7.222 5.952 1.00 0.00 C ATOM 844 C LYS A 53 23.295 5.953 6.775 1.00 0.00 C ATOM 845 O LYS A 53 23.242 5.988 8.006 1.00 0.00 O ATOM 846 CB LYS A 53 24.612 8.088 6.565 1.00 0.00 C ATOM 847 CG LYS A 53 25.981 7.416 6.594 1.00 0.00 C ATOM 848 CD LYS A 53 26.475 7.114 5.184 1.00 0.00 C ATOM 849 CE LYS A 53 27.838 6.455 5.191 1.00 0.00 C ATOM 850 NZ LYS A 53 28.863 7.309 5.805 1.00 0.00 N ATOM 0 H LYS A 53 22.226 8.832 6.323 1.00 0.00 H new ATOM 0 HA LYS A 53 23.823 6.919 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 53 24.687 9.017 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 53 24.328 8.356 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.696 8.063 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 53 25.923 6.491 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.760 6.463 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.522 8.040 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.781 5.511 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.130 6.217 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 29.801 7.039 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.675 8.304 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.840 7.190 6.838 1.00 0.00 H new ATOM 864 N GLY A 54 23.134 4.855 6.092 1.00 0.00 N ATOM 865 CA GLY A 54 23.008 3.588 6.750 1.00 0.00 C ATOM 866 C GLY A 54 21.657 2.975 6.543 1.00 0.00 C ATOM 867 O GLY A 54 21.469 1.791 6.800 1.00 0.00 O ATOM 0 H GLY A 54 23.087 4.813 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.774 2.909 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.188 3.715 7.818 1.00 0.00 H new ATOM 871 N TYR A 55 20.705 3.767 6.089 1.00 0.00 N ATOM 872 CA TYR A 55 19.394 3.294 5.843 1.00 0.00 C ATOM 873 C TYR A 55 18.852 3.918 4.565 1.00 0.00 C ATOM 874 O TYR A 55 18.958 5.119 4.356 1.00 0.00 O ATOM 875 CB TYR A 55 18.509 3.601 7.068 1.00 0.00 C ATOM 876 CG TYR A 55 17.027 3.617 6.789 1.00 0.00 C ATOM 877 CD1 TYR A 55 16.238 2.486 6.873 1.00 0.00 C ATOM 878 CD2 TYR A 55 16.439 4.793 6.421 1.00 0.00 C ATOM 879 CE1 TYR A 55 14.888 2.547 6.586 1.00 0.00 C ATOM 880 CE2 TYR A 55 15.111 4.880 6.128 1.00 0.00 C ATOM 881 CZ TYR A 55 14.326 3.751 6.213 1.00 0.00 C ATOM 882 OH TYR A 55 12.986 3.824 5.891 1.00 0.00 O ATOM 0 H TYR A 55 20.839 4.757 5.886 1.00 0.00 H new ATOM 0 HA TYR A 55 19.398 2.214 5.696 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.711 2.859 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 55 18.799 4.570 7.474 1.00 0.00 H new ATOM 0 HD1 TYR A 55 16.681 1.545 7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.047 5.684 6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.277 1.659 6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.678 5.824 5.832 1.00 0.00 H new ATOM 0 HH TYR A 55 12.513 3.060 6.283 1.00 0.00 H new ATOM 892 N VAL A 56 18.281 3.112 3.737 1.00 0.00 N ATOM 893 CA VAL A 56 17.703 3.560 2.502 1.00 0.00 C ATOM 894 C VAL A 56 16.274 3.030 2.429 1.00 0.00 C ATOM 895 O VAL A 56 15.997 1.944 2.902 1.00 0.00 O ATOM 896 CB VAL A 56 18.550 3.090 1.267 1.00 0.00 C ATOM 897 CG1 VAL A 56 17.855 3.425 -0.024 1.00 0.00 C ATOM 898 CG2 VAL A 56 19.924 3.752 1.265 1.00 0.00 C ATOM 0 H VAL A 56 18.198 2.108 3.895 1.00 0.00 H new ATOM 0 HA VAL A 56 17.696 4.650 2.473 1.00 0.00 H new ATOM 0 HB VAL A 56 18.664 2.009 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.464 3.088 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.886 2.927 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.711 4.503 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.491 3.410 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.806 4.835 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.458 3.485 2.177 1.00 0.00 H new ATOM 908 N LEU A 57 15.382 3.810 1.913 1.00 0.00 N ATOM 909 CA LEU A 57 14.012 3.422 1.783 1.00 0.00 C ATOM 910 C LEU A 57 13.593 3.360 0.314 1.00 0.00 C ATOM 911 O LEU A 57 13.580 4.391 -0.398 1.00 0.00 O ATOM 912 CB LEU A 57 13.137 4.388 2.575 1.00 0.00 C ATOM 913 CG LEU A 57 11.648 4.381 2.262 1.00 0.00 C ATOM 914 CD1 LEU A 57 10.993 3.072 2.486 1.00 0.00 C ATOM 915 CD2 LEU A 57 10.923 5.478 2.980 1.00 0.00 C ATOM 0 H LEU A 57 15.585 4.747 1.565 1.00 0.00 H new ATOM 0 HA LEU A 57 13.884 2.419 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.262 4.168 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.513 5.398 2.413 1.00 0.00 H new ATOM 0 HG LEU A 57 11.581 4.570 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.934 3.149 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.459 2.319 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.104 2.784 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.863 5.438 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.047 5.353 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.331 6.442 2.678 1.00 0.00 H new ATOM 927 N PHE A 58 13.263 2.159 -0.120 1.00 0.00 N ATOM 928 CA PHE A 58 12.796 1.878 -1.479 1.00 0.00 C ATOM 929 C PHE A 58 11.443 1.202 -1.459 1.00 0.00 C ATOM 930 O PHE A 58 11.125 0.453 -0.552 1.00 0.00 O ATOM 931 CB PHE A 58 13.765 0.953 -2.236 1.00 0.00 C ATOM 932 CG PHE A 58 14.876 1.612 -3.001 1.00 0.00 C ATOM 933 CD1 PHE A 58 14.629 2.167 -4.236 1.00 0.00 C ATOM 934 CD2 PHE A 58 16.158 1.635 -2.521 1.00 0.00 C ATOM 935 CE1 PHE A 58 15.631 2.735 -4.982 1.00 0.00 C ATOM 936 CE2 PHE A 58 17.170 2.210 -3.265 1.00 0.00 C ATOM 937 CZ PHE A 58 16.904 2.759 -4.496 1.00 0.00 C ATOM 0 H PHE A 58 13.310 1.328 0.469 1.00 0.00 H new ATOM 0 HA PHE A 58 12.735 2.842 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.210 0.266 -1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.183 0.351 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 58 13.622 2.155 -4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.379 1.202 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 58 15.412 3.161 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.177 2.228 -2.876 1.00 0.00 H new ATOM 0 HZ PHE A 58 17.698 3.207 -5.075 1.00 0.00 H new ATOM 947 N ARG A 59 10.655 1.461 -2.463 1.00 0.00 N ATOM 948 CA ARG A 59 9.395 0.788 -2.606 1.00 0.00 C ATOM 949 C ARG A 59 9.249 0.197 -3.992 1.00 0.00 C ATOM 950 O ARG A 59 9.667 0.782 -4.982 1.00 0.00 O ATOM 951 CB ARG A 59 8.207 1.689 -2.280 1.00 0.00 C ATOM 952 CG ARG A 59 8.110 2.929 -3.114 1.00 0.00 C ATOM 953 CD ARG A 59 6.827 3.669 -2.843 1.00 0.00 C ATOM 954 NE ARG A 59 6.582 3.869 -1.404 1.00 0.00 N ATOM 955 CZ ARG A 59 5.440 4.363 -0.885 1.00 0.00 C ATOM 956 NH1 ARG A 59 4.482 4.830 -1.688 1.00 0.00 N ATOM 957 NH2 ARG A 59 5.267 4.379 0.431 1.00 0.00 N ATOM 0 H ARG A 59 10.864 2.137 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 59 9.392 -0.022 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.289 1.114 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.266 1.978 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.959 3.579 -2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.165 2.665 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.859 4.638 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.994 3.115 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 59 7.328 3.616 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.612 4.814 -2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.620 5.203 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.997 4.018 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.404 4.752 0.827 1.00 0.00 H new ATOM 971 N LYS A 60 8.698 -0.954 -4.038 1.00 0.00 N ATOM 972 CA LYS A 60 8.427 -1.661 -5.253 1.00 0.00 C ATOM 973 C LYS A 60 7.005 -2.137 -5.197 1.00 0.00 C ATOM 974 O LYS A 60 6.624 -2.930 -4.348 1.00 0.00 O ATOM 975 CB LYS A 60 9.357 -2.847 -5.398 1.00 0.00 C ATOM 976 CG LYS A 60 9.081 -3.751 -6.579 1.00 0.00 C ATOM 977 CD LYS A 60 9.655 -3.211 -7.873 1.00 0.00 C ATOM 978 CE LYS A 60 11.161 -3.288 -7.886 1.00 0.00 C ATOM 979 NZ LYS A 60 11.677 -3.170 -9.262 1.00 0.00 N ATOM 0 H LYS A 60 8.407 -1.461 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 60 8.583 -1.004 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.379 -2.477 -5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.303 -3.442 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.502 -4.737 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.004 -3.880 -6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.254 -3.777 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.342 -2.176 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.576 -2.492 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.486 -4.233 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.703 -3.004 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.482 -4.049 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.210 -2.373 -9.741 1.00 0.00 H new ATOM 993 N GLN A 61 6.250 -1.630 -6.052 1.00 0.00 N ATOM 994 CA GLN A 61 4.892 -1.917 -6.149 1.00 0.00 C ATOM 995 C GLN A 61 4.626 -2.927 -7.222 1.00 0.00 C ATOM 996 O GLN A 61 5.366 -3.025 -8.207 1.00 0.00 O ATOM 997 CB GLN A 61 4.084 -0.642 -6.334 1.00 0.00 C ATOM 998 CG GLN A 61 4.584 0.372 -7.328 1.00 0.00 C ATOM 999 CD GLN A 61 5.923 1.044 -6.986 1.00 0.00 C ATOM 1000 OE1 GLN A 61 6.990 0.580 -7.401 1.00 0.00 O ATOM 1001 NE2 GLN A 61 5.886 2.069 -6.193 1.00 0.00 N ATOM 0 H GLN A 61 6.574 -0.961 -6.750 1.00 0.00 H new ATOM 0 HA GLN A 61 4.566 -2.368 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.073 -0.926 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.009 -0.150 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.682 -0.116 -8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.827 1.149 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.989 2.429 -5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.754 2.515 -5.895 1.00 0.00 H new ATOM 1010 N MET A 62 3.588 -3.677 -7.032 1.00 0.00 N ATOM 1011 CA MET A 62 3.256 -4.752 -7.921 1.00 0.00 C ATOM 1012 C MET A 62 1.989 -4.408 -8.666 1.00 0.00 C ATOM 1013 O MET A 62 1.312 -3.422 -8.335 1.00 0.00 O ATOM 1014 CB MET A 62 3.066 -6.056 -7.123 1.00 0.00 C ATOM 1015 CG MET A 62 4.265 -6.451 -6.260 1.00 0.00 C ATOM 1016 SD MET A 62 5.788 -6.696 -7.204 1.00 0.00 S ATOM 1017 CE MET A 62 6.946 -7.064 -5.879 1.00 0.00 C ATOM 0 H MET A 62 2.941 -3.563 -6.252 1.00 0.00 H new ATOM 0 HA MET A 62 4.066 -4.897 -8.635 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.191 -5.950 -6.481 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.854 -6.866 -7.820 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.433 -5.678 -5.510 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.029 -7.370 -5.723 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.765 -7.669 -6.269 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.343 -6.133 -5.474 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.433 -7.613 -5.090 1.00 0.00 H new ATOM 1027 N ASP A 63 1.675 -5.188 -9.664 1.00 0.00 N ATOM 1028 CA ASP A 63 0.448 -5.006 -10.430 1.00 0.00 C ATOM 1029 C ASP A 63 -0.668 -5.790 -9.764 1.00 0.00 C ATOM 1030 O ASP A 63 -1.847 -5.508 -9.929 1.00 0.00 O ATOM 1031 CB ASP A 63 0.651 -5.475 -11.878 1.00 0.00 C ATOM 1032 CG ASP A 63 -0.599 -5.358 -12.723 1.00 0.00 C ATOM 1033 OD1 ASP A 63 -1.086 -4.228 -12.943 1.00 0.00 O ATOM 1034 OD2 ASP A 63 -1.126 -6.397 -13.185 1.00 0.00 O ATOM 0 H ASP A 63 2.253 -5.968 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 63 0.182 -3.949 -10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.447 -4.887 -12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.983 -6.513 -11.874 1.00 0.00 H new ATOM 1039 N ASP A 64 -0.264 -6.761 -8.987 1.00 0.00 N ATOM 1040 CA ASP A 64 -1.171 -7.618 -8.252 1.00 0.00 C ATOM 1041 C ASP A 64 -1.354 -7.092 -6.823 1.00 0.00 C ATOM 1042 O ASP A 64 -0.485 -6.387 -6.303 1.00 0.00 O ATOM 1043 CB ASP A 64 -0.624 -9.052 -8.249 1.00 0.00 C ATOM 1044 CG ASP A 64 -1.482 -10.017 -7.479 1.00 0.00 C ATOM 1045 OD1 ASP A 64 -2.712 -10.045 -7.683 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -0.953 -10.770 -6.641 1.00 0.00 O ATOM 0 H ASP A 64 0.720 -6.986 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.148 -7.618 -8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.532 -9.400 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.379 -9.049 -7.823 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.488 -7.418 -6.218 1.00 0.00 N ATOM 1052 CA ILE A 65 -2.835 -6.971 -4.861 1.00 0.00 C ATOM 1053 C ILE A 65 -2.082 -7.777 -3.773 1.00 0.00 C ATOM 1054 O ILE A 65 -1.423 -8.783 -4.071 1.00 0.00 O ATOM 1055 CB ILE A 65 -4.369 -7.015 -4.625 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -4.903 -8.437 -4.862 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -5.068 -5.995 -5.524 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -6.420 -8.586 -4.794 1.00 0.00 C ATOM 0 H ILE A 65 -3.202 -8.003 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.511 -5.934 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.581 -6.749 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.565 -8.775 -5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.456 -9.103 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.143 -6.034 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.699 -4.995 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.860 -6.228 -6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.692 -9.626 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.771 -8.286 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.882 -7.953 -5.552 1.00 0.00 H new ATOM 1070 N SER A 66 -2.192 -7.325 -2.540 1.00 0.00 N ATOM 1071 CA SER A 66 -1.445 -7.847 -1.385 1.00 0.00 C ATOM 1072 C SER A 66 -1.659 -9.339 -1.121 1.00 0.00 C ATOM 1073 O SER A 66 -2.664 -9.926 -1.518 1.00 0.00 O ATOM 1074 CB SER A 66 -1.816 -7.053 -0.125 1.00 0.00 C ATOM 1075 OG SER A 66 -3.204 -7.157 0.155 1.00 0.00 O ATOM 0 H SER A 66 -2.820 -6.560 -2.294 1.00 0.00 H new ATOM 0 HA SER A 66 -0.390 -7.725 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.242 -7.424 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.546 -6.005 -0.259 1.00 0.00 H new ATOM 0 HG SER A 66 -3.552 -6.278 0.413 1.00 0.00 H new ATOM 1081 N PRO A 67 -0.707 -9.985 -0.423 1.00 0.00 N ATOM 1082 CA PRO A 67 -0.852 -11.374 -0.025 1.00 0.00 C ATOM 1083 C PRO A 67 -1.948 -11.534 1.033 1.00 0.00 C ATOM 1084 O PRO A 67 -2.521 -12.603 1.188 1.00 0.00 O ATOM 1085 CB PRO A 67 0.510 -11.723 0.580 1.00 0.00 C ATOM 1086 CG PRO A 67 1.106 -10.421 0.986 1.00 0.00 C ATOM 1087 CD PRO A 67 0.608 -9.423 -0.007 1.00 0.00 C ATOM 0 HA PRO A 67 -1.134 -12.016 -0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.401 -12.389 1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.142 -12.236 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.804 -10.151 1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.195 -10.470 0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.501 -8.433 0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.288 -9.322 -0.852 1.00 0.00 H new ATOM 1095 N LEU A 68 -2.252 -10.456 1.728 1.00 0.00 N ATOM 1096 CA LEU A 68 -3.221 -10.481 2.787 1.00 0.00 C ATOM 1097 C LEU A 68 -4.633 -10.352 2.205 1.00 0.00 C ATOM 1098 O LEU A 68 -5.572 -10.980 2.695 1.00 0.00 O ATOM 1099 CB LEU A 68 -2.920 -9.368 3.809 1.00 0.00 C ATOM 1100 CG LEU A 68 -3.259 -9.654 5.295 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -4.740 -9.895 5.522 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -2.447 -10.836 5.802 1.00 0.00 C ATOM 0 H LEU A 68 -1.830 -9.541 1.569 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.162 -11.434 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.858 -9.130 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.465 -8.475 3.505 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.993 -8.761 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.919 -10.090 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.303 -9.014 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.063 -10.755 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.694 -11.026 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.680 -11.719 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.384 -10.611 5.716 1.00 0.00 H new ATOM 1114 N SER A 69 -4.792 -9.591 1.135 1.00 0.00 N ATOM 1115 CA SER A 69 -6.097 -9.475 0.507 1.00 0.00 C ATOM 1116 C SER A 69 -6.532 -10.826 -0.096 1.00 0.00 C ATOM 1117 O SER A 69 -7.717 -11.103 -0.256 1.00 0.00 O ATOM 1118 CB SER A 69 -6.106 -8.344 -0.514 1.00 0.00 C ATOM 1119 OG SER A 69 -5.026 -8.458 -1.402 1.00 0.00 O ATOM 0 H SER A 69 -4.048 -9.053 0.690 1.00 0.00 H new ATOM 0 HA SER A 69 -6.834 -9.217 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.043 -8.360 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.058 -7.384 0.001 1.00 0.00 H new ATOM 0 HG SER A 69 -4.263 -7.950 -1.056 1.00 0.00 H new ATOM 1125 N LYS A 70 -5.544 -11.665 -0.396 1.00 0.00 N ATOM 1126 CA LYS A 70 -5.776 -13.037 -0.844 1.00 0.00 C ATOM 1127 C LYS A 70 -6.413 -13.854 0.296 1.00 0.00 C ATOM 1128 O LYS A 70 -7.406 -14.563 0.097 1.00 0.00 O ATOM 1129 CB LYS A 70 -4.440 -13.722 -1.180 1.00 0.00 C ATOM 1130 CG LYS A 70 -3.488 -12.932 -2.056 1.00 0.00 C ATOM 1131 CD LYS A 70 -3.989 -12.736 -3.462 1.00 0.00 C ATOM 1132 CE LYS A 70 -3.020 -11.863 -4.233 1.00 0.00 C ATOM 1133 NZ LYS A 70 -3.347 -11.798 -5.661 1.00 0.00 N ATOM 0 H LYS A 70 -4.558 -11.413 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.424 -12.998 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.931 -13.958 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.655 -14.670 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.313 -11.957 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.527 -13.445 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.097 -13.701 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.976 -12.274 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.028 -10.857 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.009 -12.251 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.469 -11.779 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.907 -12.633 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.897 -10.936 -5.852 1.00 0.00 H new ATOM 1147 N VAL A 71 -5.868 -13.681 1.507 1.00 0.00 N ATOM 1148 CA VAL A 71 -6.214 -14.545 2.649 1.00 0.00 C ATOM 1149 C VAL A 71 -7.500 -14.089 3.290 1.00 0.00 C ATOM 1150 O VAL A 71 -8.225 -14.866 3.908 1.00 0.00 O ATOM 1151 CB VAL A 71 -5.070 -14.593 3.733 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -3.731 -14.759 3.089 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -5.051 -13.384 4.646 1.00 0.00 C ATOM 0 H VAL A 71 -5.187 -12.953 1.724 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.340 -15.553 2.253 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.291 -15.460 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.959 -14.789 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.714 -15.689 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.543 -13.920 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.239 -13.485 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.900 -12.482 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.000 -13.314 5.177 1.00 0.00 H new ATOM 1163 N ASN A 72 -7.760 -12.839 3.139 1.00 0.00 N ATOM 1164 CA ASN A 72 -8.917 -12.235 3.724 1.00 0.00 C ATOM 1165 C ASN A 72 -9.642 -11.382 2.702 1.00 0.00 C ATOM 1166 O ASN A 72 -10.606 -11.840 2.091 1.00 0.00 O ATOM 1167 CB ASN A 72 -8.505 -11.439 4.972 1.00 0.00 C ATOM 1168 CG ASN A 72 -9.641 -10.705 5.624 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -9.887 -9.545 5.327 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -10.334 -11.360 6.513 1.00 0.00 N ATOM 0 H ASN A 72 -7.176 -12.197 2.603 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.619 -13.006 4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.062 -12.122 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.732 -10.722 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.113 -10.905 6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.097 -12.327 6.733 1.00 0.00 H new ATOM 1177 N GLY A 73 -9.114 -10.192 2.463 1.00 0.00 N ATOM 1178 CA GLY A 73 -9.703 -9.266 1.513 1.00 0.00 C ATOM 1179 C GLY A 73 -11.103 -8.757 1.891 1.00 0.00 C ATOM 1180 O GLY A 73 -12.078 -9.481 1.792 1.00 0.00 O ATOM 0 H GLY A 73 -8.271 -9.844 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.038 -8.409 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.760 -9.753 0.540 1.00 0.00 H new ATOM 1184 N TYR A 74 -11.184 -7.497 2.256 1.00 0.00 N ATOM 1185 CA TYR A 74 -12.400 -6.821 2.603 1.00 0.00 C ATOM 1186 C TYR A 74 -12.149 -5.356 2.402 1.00 0.00 C ATOM 1187 O TYR A 74 -11.036 -4.863 2.649 1.00 0.00 O ATOM 1188 CB TYR A 74 -12.833 -7.043 4.080 1.00 0.00 C ATOM 1189 CG TYR A 74 -13.510 -8.369 4.414 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -14.765 -8.661 3.932 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -12.923 -9.282 5.255 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -15.415 -9.826 4.263 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -13.560 -10.457 5.594 1.00 0.00 C ATOM 1194 CZ TYR A 74 -14.805 -10.722 5.093 1.00 0.00 C ATOM 1195 OH TYR A 74 -15.447 -11.895 5.426 1.00 0.00 O ATOM 0 H TYR A 74 -10.363 -6.895 2.320 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.202 -7.215 1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.949 -6.947 4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.512 -6.237 4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -15.253 -7.956 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.943 -9.076 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -16.400 -10.031 3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.078 -11.165 6.252 1.00 0.00 H new ATOM 0 HH TYR A 74 -14.876 -12.422 6.024 1.00 0.00 H new ATOM 1205 N ILE A 75 -13.115 -4.686 1.915 1.00 0.00 N ATOM 1206 CA ILE A 75 -13.065 -3.274 1.772 1.00 0.00 C ATOM 1207 C ILE A 75 -13.878 -2.714 2.903 1.00 0.00 C ATOM 1208 O ILE A 75 -15.027 -3.084 3.091 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.584 -2.833 0.381 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.522 -3.121 -0.688 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.996 -1.350 0.350 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.984 -2.906 -2.126 1.00 0.00 C ATOM 0 H ILE A 75 -13.988 -5.106 1.594 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.043 -2.897 1.821 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.482 -3.413 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.657 -2.485 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.188 -4.153 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -14.352 -1.092 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.791 -1.178 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.136 -0.728 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.166 -3.134 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.828 -3.562 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.288 -1.868 -2.259 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.269 -1.875 3.663 1.00 0.00 N ATOM 1225 CA GLY A 76 -13.865 -1.408 4.856 1.00 0.00 C ATOM 1226 C GLY A 76 -14.229 0.020 4.781 1.00 0.00 C ATOM 1227 O GLY A 76 -13.398 0.930 5.014 1.00 0.00 O ATOM 0 H GLY A 76 -12.342 -1.494 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.757 -1.997 5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.177 -1.562 5.687 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.431 0.255 4.465 1.00 0.00 N ATOM 1232 CA VAL A 77 -15.874 1.572 4.411 1.00 0.00 C ATOM 1233 C VAL A 77 -16.738 1.830 5.581 1.00 0.00 C ATOM 1234 O VAL A 77 -17.757 1.182 5.786 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.557 1.921 3.100 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -17.022 3.368 3.067 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -15.643 1.614 1.928 1.00 0.00 C ATOM 0 H VAL A 77 -16.129 -0.454 4.239 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.006 2.230 4.450 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.449 1.300 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -17.505 3.573 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.731 3.541 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.164 4.029 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -16.148 1.870 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.728 2.199 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.396 0.552 1.927 1.00 0.00 H new ATOM 1247 N SER A 78 -16.302 2.748 6.368 1.00 0.00 N ATOM 1248 CA SER A 78 -16.967 3.068 7.582 1.00 0.00 C ATOM 1249 C SER A 78 -18.058 4.074 7.256 1.00 0.00 C ATOM 1250 O SER A 78 -17.992 4.695 6.190 1.00 0.00 O ATOM 1251 CB SER A 78 -15.936 3.626 8.543 1.00 0.00 C ATOM 1252 OG SER A 78 -14.793 2.774 8.566 1.00 0.00 O ATOM 0 H SER A 78 -15.466 3.304 6.187 1.00 0.00 H new ATOM 0 HA SER A 78 -17.431 2.200 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.646 4.632 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.362 3.707 9.543 1.00 0.00 H new ATOM 0 HG SER A 78 -14.127 3.137 9.186 1.00 0.00 H new ATOM 1258 N ASP A 79 -19.023 4.246 8.166 1.00 0.00 N ATOM 1259 CA ASP A 79 -20.238 5.102 7.970 1.00 0.00 C ATOM 1260 C ASP A 79 -19.936 6.479 7.378 1.00 0.00 C ATOM 1261 O ASP A 79 -20.699 7.003 6.565 1.00 0.00 O ATOM 1262 CB ASP A 79 -20.997 5.266 9.287 1.00 0.00 C ATOM 1263 CG ASP A 79 -22.271 6.080 9.149 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -23.322 5.501 8.783 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -22.256 7.293 9.424 1.00 0.00 O ATOM 0 H ASP A 79 -18.998 3.795 9.080 1.00 0.00 H new ATOM 0 HA ASP A 79 -20.854 4.576 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -21.245 4.280 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -20.345 5.746 10.017 1.00 0.00 H new ATOM 1270 N ASN A 80 -18.806 7.035 7.741 1.00 0.00 N ATOM 1271 CA ASN A 80 -18.405 8.351 7.254 1.00 0.00 C ATOM 1272 C ASN A 80 -17.773 8.291 5.866 1.00 0.00 C ATOM 1273 O ASN A 80 -17.227 9.266 5.407 1.00 0.00 O ATOM 1274 CB ASN A 80 -17.448 9.037 8.233 1.00 0.00 C ATOM 1275 CG ASN A 80 -18.110 9.454 9.531 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -18.650 10.553 9.641 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -18.053 8.614 10.528 1.00 0.00 N ATOM 0 H ASN A 80 -18.137 6.600 8.376 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.319 8.940 7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.622 8.361 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.019 9.917 7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.463 8.862 11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -17.598 7.709 10.407 1.00 0.00 H new ATOM 1284 N GLY A 81 -17.838 7.141 5.221 1.00 0.00 N ATOM 1285 CA GLY A 81 -17.337 6.972 3.887 1.00 0.00 C ATOM 1286 C GLY A 81 -15.866 6.746 3.858 1.00 0.00 C ATOM 1287 O GLY A 81 -15.198 7.134 2.929 1.00 0.00 O ATOM 0 H GLY A 81 -18.246 6.295 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.841 6.128 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.578 7.856 3.297 1.00 0.00 H new ATOM 1291 N VAL A 82 -15.369 6.118 4.865 1.00 0.00 N ATOM 1292 CA VAL A 82 -13.947 5.863 4.970 1.00 0.00 C ATOM 1293 C VAL A 82 -13.582 4.683 4.069 1.00 0.00 C ATOM 1294 O VAL A 82 -13.913 3.585 4.371 1.00 0.00 O ATOM 1295 CB VAL A 82 -13.556 5.571 6.430 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -12.052 5.494 6.590 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -14.154 6.623 7.349 1.00 0.00 C ATOM 0 H VAL A 82 -15.921 5.761 5.645 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.397 6.747 4.647 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.961 4.598 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.807 5.287 7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.659 4.696 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.606 6.443 6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.872 6.408 8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.779 7.607 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -15.240 6.609 7.260 1.00 0.00 H new ATOM 1307 N ILE A 83 -12.861 4.963 3.005 1.00 0.00 N ATOM 1308 CA ILE A 83 -12.534 4.026 1.884 1.00 0.00 C ATOM 1309 C ILE A 83 -11.341 3.105 2.192 1.00 0.00 C ATOM 1310 O ILE A 83 -10.507 2.815 1.350 1.00 0.00 O ATOM 1311 CB ILE A 83 -12.378 4.778 0.506 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -13.588 5.693 0.295 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -12.300 3.781 -0.673 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -14.911 4.963 0.406 1.00 0.00 C ATOM 0 H ILE A 83 -12.454 5.888 2.865 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.395 3.365 1.785 1.00 0.00 H new ATOM 0 HB ILE A 83 -11.454 5.356 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.561 6.497 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.518 6.158 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.193 4.331 -1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.441 3.124 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -13.211 3.184 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.729 5.666 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -14.957 4.176 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.001 4.521 1.398 1.00 0.00 H new ATOM 1326 N SER A 84 -11.217 2.707 3.400 1.00 0.00 N ATOM 1327 CA SER A 84 -9.986 2.017 3.777 1.00 0.00 C ATOM 1328 C SER A 84 -10.171 0.511 3.676 1.00 0.00 C ATOM 1329 O SER A 84 -11.262 0.028 3.742 1.00 0.00 O ATOM 1330 CB SER A 84 -9.615 2.432 5.183 1.00 0.00 C ATOM 1331 OG SER A 84 -9.569 3.848 5.249 1.00 0.00 O ATOM 0 H SER A 84 -11.908 2.827 4.141 1.00 0.00 H new ATOM 0 HA SER A 84 -9.179 2.290 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.345 2.045 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.648 2.011 5.457 1.00 0.00 H new ATOM 0 HG SER A 84 -9.330 4.126 6.158 1.00 0.00 H new ATOM 1337 N THR A 85 -9.138 -0.220 3.422 1.00 0.00 N ATOM 1338 CA THR A 85 -9.286 -1.640 3.448 1.00 0.00 C ATOM 1339 C THR A 85 -8.977 -2.161 4.842 1.00 0.00 C ATOM 1340 O THR A 85 -8.176 -1.546 5.597 1.00 0.00 O ATOM 1341 CB THR A 85 -8.467 -2.355 2.354 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.108 -1.937 2.399 1.00 0.00 O ATOM 1343 CG2 THR A 85 -9.051 -2.059 0.982 1.00 0.00 C ATOM 0 H THR A 85 -8.205 0.127 3.199 1.00 0.00 H new ATOM 0 HA THR A 85 -10.325 -1.873 3.213 1.00 0.00 H new ATOM 0 HB THR A 85 -8.512 -3.429 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.757 -1.868 1.487 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.464 -2.570 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.082 -2.410 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.027 -0.985 0.800 1.00 0.00 H new ATOM 1351 N PHE A 86 -9.644 -3.222 5.218 1.00 0.00 N ATOM 1352 CA PHE A 86 -9.506 -3.804 6.532 1.00 0.00 C ATOM 1353 C PHE A 86 -9.291 -5.278 6.391 1.00 0.00 C ATOM 1354 O PHE A 86 -9.724 -5.875 5.404 1.00 0.00 O ATOM 1355 CB PHE A 86 -10.771 -3.586 7.384 1.00 0.00 C ATOM 1356 CG PHE A 86 -11.015 -2.185 7.891 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -11.203 -1.136 7.028 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -11.112 -1.949 9.241 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -11.479 0.131 7.499 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -11.380 -0.688 9.727 1.00 0.00 C ATOM 1361 CZ PHE A 86 -11.566 0.355 8.853 1.00 0.00 C ATOM 0 H PHE A 86 -10.305 -3.712 4.616 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.661 -3.323 7.025 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -11.635 -3.889 6.793 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.722 -4.255 8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.134 -1.304 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.976 -2.766 9.934 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.626 0.946 6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.444 -0.520 10.792 1.00 0.00 H new ATOM 0 HZ PHE A 86 -11.779 1.345 9.227 1.00 0.00 H new ATOM 1371 N HIS A 87 -8.612 -5.863 7.334 1.00 0.00 N ATOM 1372 CA HIS A 87 -8.459 -7.284 7.331 1.00 0.00 C ATOM 1373 C HIS A 87 -9.446 -7.880 8.327 1.00 0.00 C ATOM 1374 O HIS A 87 -9.269 -7.825 9.557 1.00 0.00 O ATOM 1375 CB HIS A 87 -6.986 -7.738 7.550 1.00 0.00 C ATOM 1376 CG HIS A 87 -6.341 -7.346 8.853 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -5.906 -8.259 9.781 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -6.020 -6.126 9.350 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -5.352 -7.598 10.786 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -5.392 -6.289 10.578 1.00 0.00 N ATOM 0 H HIS A 87 -8.159 -5.380 8.110 1.00 0.00 H new ATOM 0 HA HIS A 87 -8.697 -7.671 6.340 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.949 -8.824 7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.382 -7.335 6.737 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.994 -9.273 9.709 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.220 -5.180 8.869 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.924 -8.064 11.661 1.00 0.00 H new ATOM 1388 N GLY A 88 -10.492 -8.399 7.790 1.00 0.00 N ATOM 1389 CA GLY A 88 -11.578 -8.887 8.561 1.00 0.00 C ATOM 1390 C GLY A 88 -12.770 -8.008 8.332 1.00 0.00 C ATOM 1391 O GLY A 88 -12.648 -6.974 7.667 1.00 0.00 O ATOM 0 H GLY A 88 -10.619 -8.498 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.808 -9.915 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.315 -8.897 9.619 1.00 0.00 H new ATOM 1395 N ARG A 89 -13.909 -8.439 8.815 1.00 0.00 N ATOM 1396 CA ARG A 89 -15.144 -7.680 8.750 1.00 0.00 C ATOM 1397 C ARG A 89 -14.923 -6.261 9.263 1.00 0.00 C ATOM 1398 O ARG A 89 -14.451 -6.083 10.394 1.00 0.00 O ATOM 1399 CB ARG A 89 -16.195 -8.363 9.598 1.00 0.00 C ATOM 1400 CG ARG A 89 -16.821 -9.592 8.990 1.00 0.00 C ATOM 1401 CD ARG A 89 -17.975 -9.188 8.099 1.00 0.00 C ATOM 1402 NE ARG A 89 -18.982 -8.427 8.866 1.00 0.00 N ATOM 1403 CZ ARG A 89 -20.240 -8.230 8.504 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -20.728 -8.817 7.417 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -21.027 -7.467 9.250 1.00 0.00 N ATOM 0 H ARG A 89 -14.011 -9.344 9.274 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.476 -7.632 7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.744 -8.640 10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.985 -7.644 9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.078 -10.143 8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -17.172 -10.260 9.776 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -17.607 -8.583 7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -18.435 -10.076 7.665 1.00 0.00 H new ATOM 0 HE ARG A 89 -18.682 -8.018 9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -20.132 -9.425 6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -21.698 -8.660 7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -20.662 -7.035 10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -21.997 -7.312 8.975 1.00 0.00 H new ATOM 1419 N PRO A 90 -15.236 -5.254 8.433 1.00 0.00 N ATOM 1420 CA PRO A 90 -15.010 -3.864 8.768 1.00 0.00 C ATOM 1421 C PRO A 90 -15.969 -3.344 9.818 1.00 0.00 C ATOM 1422 O PRO A 90 -17.158 -3.117 9.571 1.00 0.00 O ATOM 1423 CB PRO A 90 -15.169 -3.112 7.456 1.00 0.00 C ATOM 1424 CG PRO A 90 -15.939 -4.011 6.552 1.00 0.00 C ATOM 1425 CD PRO A 90 -15.835 -5.412 7.096 1.00 0.00 C ATOM 0 HA PRO A 90 -14.023 -3.729 9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -15.695 -2.170 7.609 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.197 -2.868 7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.982 -3.698 6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.541 -3.965 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.814 -5.887 7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -15.214 -6.040 6.456 1.00 0.00 H new ATOM 1433 N GLU A 91 -15.451 -3.209 10.981 1.00 0.00 N ATOM 1434 CA GLU A 91 -16.146 -2.721 12.121 1.00 0.00 C ATOM 1435 C GLU A 91 -15.162 -1.816 12.887 1.00 0.00 C ATOM 1436 O GLU A 91 -13.978 -1.798 12.558 1.00 0.00 O ATOM 1437 CB GLU A 91 -16.644 -3.938 12.952 1.00 0.00 C ATOM 1438 CG GLU A 91 -15.562 -4.936 13.332 1.00 0.00 C ATOM 1439 CD GLU A 91 -16.117 -6.133 14.061 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -16.598 -7.081 13.410 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -16.091 -6.149 15.295 1.00 0.00 O ATOM 0 H GLU A 91 -14.479 -3.448 11.178 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.029 -2.133 11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.115 -3.570 13.863 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.415 -4.458 12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.046 -5.269 12.432 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.820 -4.443 13.960 1.00 0.00 H new ATOM 1448 N PRO A 92 -15.577 -1.055 13.908 1.00 0.00 N ATOM 1449 CA PRO A 92 -14.639 -0.189 14.635 1.00 0.00 C ATOM 1450 C PRO A 92 -13.660 -1.000 15.471 1.00 0.00 C ATOM 1451 O PRO A 92 -12.670 -0.486 15.997 1.00 0.00 O ATOM 1452 CB PRO A 92 -15.518 0.670 15.526 1.00 0.00 C ATOM 1453 CG PRO A 92 -16.824 -0.048 15.626 1.00 0.00 C ATOM 1454 CD PRO A 92 -16.945 -0.946 14.421 1.00 0.00 C ATOM 0 HA PRO A 92 -14.029 0.403 13.953 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.068 0.801 16.510 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.651 1.665 15.101 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.870 -0.632 16.545 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -17.650 0.663 15.658 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.347 -1.922 14.692 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.616 -0.521 13.675 1.00 0.00 H new ATOM 1462 N ALA A 93 -13.942 -2.266 15.571 1.00 0.00 N ATOM 1463 CA ALA A 93 -13.121 -3.173 16.281 1.00 0.00 C ATOM 1464 C ALA A 93 -12.076 -3.788 15.360 1.00 0.00 C ATOM 1465 O ALA A 93 -11.165 -4.487 15.817 1.00 0.00 O ATOM 1466 CB ALA A 93 -13.974 -4.236 16.905 1.00 0.00 C ATOM 0 H ALA A 93 -14.766 -2.694 15.150 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.593 -2.635 17.068 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.342 -4.935 17.452 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.685 -3.776 17.591 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.517 -4.771 16.126 1.00 0.00 H new ATOM 1472 N SER A 94 -12.185 -3.528 14.075 1.00 0.00 N ATOM 1473 CA SER A 94 -11.228 -4.084 13.159 1.00 0.00 C ATOM 1474 C SER A 94 -10.094 -3.096 12.886 1.00 0.00 C ATOM 1475 O SER A 94 -10.222 -1.901 13.176 1.00 0.00 O ATOM 1476 CB SER A 94 -11.901 -4.590 11.882 1.00 0.00 C ATOM 1477 OG SER A 94 -12.704 -3.611 11.268 1.00 0.00 O ATOM 0 H SER A 94 -12.911 -2.948 13.653 1.00 0.00 H new ATOM 0 HA SER A 94 -10.775 -4.958 13.627 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.136 -4.920 11.179 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.513 -5.460 12.119 1.00 0.00 H new ATOM 0 HG SER A 94 -12.816 -2.851 11.876 1.00 0.00 H new ATOM 1483 N GLU A 95 -8.992 -3.591 12.385 1.00 0.00 N ATOM 1484 CA GLU A 95 -7.823 -2.779 12.136 1.00 0.00 C ATOM 1485 C GLU A 95 -7.794 -2.254 10.715 1.00 0.00 C ATOM 1486 O GLU A 95 -7.792 -3.038 9.752 1.00 0.00 O ATOM 1487 CB GLU A 95 -6.559 -3.586 12.399 1.00 0.00 C ATOM 1488 CG GLU A 95 -6.378 -3.976 13.841 1.00 0.00 C ATOM 1489 CD GLU A 95 -5.189 -4.856 14.048 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -4.049 -4.374 13.984 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -5.371 -6.053 14.308 1.00 0.00 O ATOM 0 H GLU A 95 -8.877 -4.573 12.136 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.869 -1.927 12.814 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.581 -4.488 11.788 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.694 -3.005 12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.271 -3.076 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.273 -4.491 14.190 1.00 0.00 H new ATOM 1498 N PRO A 96 -7.815 -0.925 10.549 1.00 0.00 N ATOM 1499 CA PRO A 96 -7.653 -0.316 9.252 1.00 0.00 C ATOM 1500 C PRO A 96 -6.226 -0.507 8.782 1.00 0.00 C ATOM 1501 O PRO A 96 -5.262 -0.291 9.542 1.00 0.00 O ATOM 1502 CB PRO A 96 -7.937 1.174 9.480 1.00 0.00 C ATOM 1503 CG PRO A 96 -8.512 1.269 10.849 1.00 0.00 C ATOM 1504 CD PRO A 96 -8.017 0.079 11.606 1.00 0.00 C ATOM 0 HA PRO A 96 -8.312 -0.748 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -7.024 1.764 9.397 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.634 1.558 8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.202 2.194 11.336 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.601 1.278 10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.091 0.296 12.139 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.741 -0.257 12.349 1.00 0.00 H new ATOM 1512 N ILE A 97 -6.088 -0.926 7.576 1.00 0.00 N ATOM 1513 CA ILE A 97 -4.795 -1.196 7.013 1.00 0.00 C ATOM 1514 C ILE A 97 -4.101 0.113 6.618 1.00 0.00 C ATOM 1515 O ILE A 97 -2.948 0.351 6.965 1.00 0.00 O ATOM 1516 CB ILE A 97 -4.949 -2.120 5.795 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -5.624 -3.435 6.222 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -3.604 -2.387 5.154 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -6.043 -4.320 5.070 1.00 0.00 C ATOM 0 H ILE A 97 -6.867 -1.095 6.940 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.175 -1.694 7.758 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.579 -1.628 5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.939 -3.991 6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.502 -3.201 6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.735 -3.043 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.163 -1.445 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.944 -2.865 5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.510 -5.225 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.755 -3.786 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.167 -4.588 4.480 1.00 0.00 H new ATOM 1531 N GLN A 98 -4.827 0.953 5.932 1.00 0.00 N ATOM 1532 CA GLN A 98 -4.335 2.229 5.457 1.00 0.00 C ATOM 1533 C GLN A 98 -5.573 3.106 5.360 1.00 0.00 C ATOM 1534 O GLN A 98 -6.618 2.732 5.901 1.00 0.00 O ATOM 1535 CB GLN A 98 -3.674 2.064 4.033 1.00 0.00 C ATOM 1536 CG GLN A 98 -4.662 2.073 2.842 1.00 0.00 C ATOM 1537 CD GLN A 98 -5.707 0.986 2.890 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -6.839 1.184 2.504 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.335 -0.156 3.307 1.00 0.00 N ATOM 0 H GLN A 98 -5.798 0.771 5.679 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.576 2.651 6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.951 2.867 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.117 1.127 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.163 3.040 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.096 1.975 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.376 -0.295 3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.995 -0.933 3.322 1.00 0.00 H new ATOM 1548 N SER A 99 -5.489 4.235 4.713 1.00 0.00 N ATOM 1549 CA SER A 99 -6.653 4.998 4.410 1.00 0.00 C ATOM 1550 C SER A 99 -6.471 5.655 3.036 1.00 0.00 C ATOM 1551 O SER A 99 -5.362 6.055 2.688 1.00 0.00 O ATOM 1552 CB SER A 99 -6.904 6.039 5.493 1.00 0.00 C ATOM 1553 OG SER A 99 -7.016 5.420 6.778 1.00 0.00 O ATOM 0 H SER A 99 -4.614 4.645 4.385 1.00 0.00 H new ATOM 0 HA SER A 99 -7.526 4.346 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.089 6.763 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.817 6.590 5.269 1.00 0.00 H new ATOM 0 HG SER A 99 -7.176 6.106 7.459 1.00 0.00 H new ATOM 1559 N PHE A 100 -7.521 5.686 2.234 1.00 0.00 N ATOM 1560 CA PHE A 100 -7.455 6.343 0.934 1.00 0.00 C ATOM 1561 C PHE A 100 -8.144 7.704 0.953 1.00 0.00 C ATOM 1562 O PHE A 100 -7.486 8.745 0.808 1.00 0.00 O ATOM 1563 CB PHE A 100 -8.030 5.466 -0.194 1.00 0.00 C ATOM 1564 CG PHE A 100 -7.197 4.258 -0.534 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -6.052 4.390 -1.304 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -7.560 2.998 -0.106 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -5.288 3.290 -1.637 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -6.797 1.893 -0.434 1.00 0.00 C ATOM 1569 CZ PHE A 100 -5.661 2.041 -1.199 1.00 0.00 C ATOM 0 H PHE A 100 -8.425 5.268 2.455 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.397 6.499 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -9.027 5.134 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.144 6.077 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.753 5.369 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.451 2.873 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.400 3.410 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.092 0.913 -0.090 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.064 1.178 -1.454 1.00 0.00 H new ATOM 1579 N PHE A 101 -9.454 7.699 1.161 1.00 0.00 N ATOM 1580 CA PHE A 101 -10.243 8.913 1.126 1.00 0.00 C ATOM 1581 C PHE A 101 -11.503 8.668 1.976 1.00 0.00 C ATOM 1582 O PHE A 101 -11.738 7.520 2.406 1.00 0.00 O ATOM 1583 CB PHE A 101 -10.618 9.193 -0.348 1.00 0.00 C ATOM 1584 CG PHE A 101 -10.903 10.634 -0.684 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -9.868 11.478 -1.053 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -12.187 11.140 -0.647 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -10.110 12.796 -1.376 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -12.434 12.458 -0.969 1.00 0.00 C ATOM 1589 CZ PHE A 101 -11.396 13.287 -1.334 1.00 0.00 C ATOM 0 H PHE A 101 -9.993 6.856 1.357 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.700 9.771 1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.804 8.844 -0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -11.497 8.599 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.858 11.098 -1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.007 10.497 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.293 13.442 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.443 12.841 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 101 -11.590 14.319 -1.586 1.00 0.00 H new ATOM 1599 N GLN A 102 -12.274 9.706 2.245 1.00 0.00 N ATOM 1600 CA GLN A 102 -13.482 9.616 2.986 1.00 0.00 C ATOM 1601 C GLN A 102 -14.595 10.337 2.187 1.00 0.00 C ATOM 1602 O GLN A 102 -14.407 11.475 1.754 1.00 0.00 O ATOM 1603 CB GLN A 102 -13.254 10.280 4.324 1.00 0.00 C ATOM 1604 CG GLN A 102 -14.377 10.121 5.244 1.00 0.00 C ATOM 1605 CD GLN A 102 -14.177 10.889 6.511 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -14.579 12.033 6.627 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -13.517 10.293 7.452 1.00 0.00 N ATOM 0 H GLN A 102 -12.055 10.654 1.938 1.00 0.00 H new ATOM 0 HA GLN A 102 -13.784 8.581 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -12.357 9.863 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -13.068 11.343 4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.294 10.456 4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.507 9.064 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.195 9.334 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.319 10.782 8.325 1.00 0.00 H new ATOM 1616 N ILE A 103 -15.721 9.672 1.980 1.00 0.00 N ATOM 1617 CA ILE A 103 -16.810 10.186 1.124 1.00 0.00 C ATOM 1618 C ILE A 103 -18.168 10.140 1.858 1.00 0.00 C ATOM 1619 O ILE A 103 -18.292 9.525 2.909 1.00 0.00 O ATOM 1620 CB ILE A 103 -16.927 9.351 -0.200 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -17.415 7.927 0.105 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -15.572 9.296 -0.904 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -17.615 7.079 -1.121 1.00 0.00 C ATOM 0 H ILE A 103 -15.918 8.761 2.394 1.00 0.00 H new ATOM 0 HA ILE A 103 -16.564 11.220 0.884 1.00 0.00 H new ATOM 0 HB ILE A 103 -17.651 9.836 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -16.694 7.438 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.355 7.985 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -15.662 8.715 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -15.246 10.308 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -14.840 8.826 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.960 6.088 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.359 7.544 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -16.671 6.989 -1.659 1.00 0.00 H new ATOM 1635 N ASP A 104 -19.195 10.755 1.280 1.00 0.00 N ATOM 1636 CA ASP A 104 -20.506 10.758 1.908 1.00 0.00 C ATOM 1637 C ASP A 104 -21.261 9.492 1.577 1.00 0.00 C ATOM 1638 O ASP A 104 -21.738 9.306 0.435 1.00 0.00 O ATOM 1639 CB ASP A 104 -21.344 11.993 1.502 1.00 0.00 C ATOM 1640 CG ASP A 104 -20.972 13.265 2.240 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -20.046 13.980 1.803 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -21.626 13.591 3.246 1.00 0.00 O ATOM 0 H ASP A 104 -19.144 11.251 0.390 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.341 10.807 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -21.229 12.160 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.398 11.778 1.680 1.00 0.00 H new ATOM 1647 N LEU A 105 -21.394 8.604 2.545 1.00 0.00 N ATOM 1648 CA LEU A 105 -22.148 7.398 2.302 1.00 0.00 C ATOM 1649 C LEU A 105 -23.592 7.715 2.073 1.00 0.00 C ATOM 1650 O LEU A 105 -24.257 7.060 1.280 1.00 0.00 O ATOM 1651 CB LEU A 105 -21.995 6.330 3.369 1.00 0.00 C ATOM 1652 CG LEU A 105 -20.658 5.612 3.482 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -20.849 4.352 4.295 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -20.068 5.292 2.115 1.00 0.00 C ATOM 0 H LEU A 105 -21.000 8.694 3.481 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.718 6.966 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.208 6.790 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.764 5.577 3.199 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.947 6.270 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.897 3.828 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.214 4.612 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.574 3.706 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -19.114 4.780 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -20.755 4.650 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -19.912 6.217 1.560 1.00 0.00 H new ATOM 1666 N GLU A 106 -24.058 8.757 2.722 1.00 0.00 N ATOM 1667 CA GLU A 106 -25.408 9.240 2.530 1.00 0.00 C ATOM 1668 C GLU A 106 -25.629 9.730 1.085 1.00 0.00 C ATOM 1669 O GLU A 106 -26.763 9.854 0.633 1.00 0.00 O ATOM 1670 CB GLU A 106 -25.726 10.361 3.517 1.00 0.00 C ATOM 1671 CG GLU A 106 -24.716 11.490 3.500 1.00 0.00 C ATOM 1672 CD GLU A 106 -25.166 12.679 4.291 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -24.973 12.711 5.512 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -25.694 13.630 3.695 1.00 0.00 O ATOM 0 H GLU A 106 -23.514 9.294 3.397 1.00 0.00 H new ATOM 0 HA GLU A 106 -26.084 8.405 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -26.713 10.764 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -25.776 9.944 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -23.768 11.130 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -24.533 11.793 2.469 1.00 0.00 H new ATOM 1681 N ARG A 107 -24.538 9.998 0.359 1.00 0.00 N ATOM 1682 CA ARG A 107 -24.661 10.469 -0.989 1.00 0.00 C ATOM 1683 C ARG A 107 -24.534 9.314 -1.997 1.00 0.00 C ATOM 1684 O ARG A 107 -24.832 9.475 -3.180 1.00 0.00 O ATOM 1685 CB ARG A 107 -23.691 11.614 -1.266 1.00 0.00 C ATOM 1686 CG ARG A 107 -22.346 11.240 -1.819 1.00 0.00 C ATOM 1687 CD ARG A 107 -21.563 12.492 -2.215 1.00 0.00 C ATOM 1688 NE ARG A 107 -22.293 13.230 -3.231 1.00 0.00 N ATOM 1689 CZ ARG A 107 -21.764 14.006 -4.187 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -20.536 14.480 -4.071 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -22.522 14.402 -5.199 1.00 0.00 N ATOM 0 H ARG A 107 -23.580 9.893 0.693 1.00 0.00 H new ATOM 0 HA ARG A 107 -25.663 10.879 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -24.167 12.302 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -23.536 12.161 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -21.785 10.673 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -22.470 10.592 -2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.402 13.122 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.579 12.212 -2.592 1.00 0.00 H new ATOM 0 HE ARG A 107 -23.310 13.150 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.979 14.256 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.145 15.070 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -23.500 14.116 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -22.128 14.993 -5.931 1.00 0.00 H new ATOM 1705 N LEU A 108 -24.051 8.158 -1.513 1.00 0.00 N ATOM 1706 CA LEU A 108 -24.043 6.890 -2.315 1.00 0.00 C ATOM 1707 C LEU A 108 -25.443 6.531 -2.843 1.00 0.00 C ATOM 1708 O LEU A 108 -26.458 6.999 -2.308 1.00 0.00 O ATOM 1709 CB LEU A 108 -23.518 5.687 -1.494 1.00 0.00 C ATOM 1710 CG LEU A 108 -22.064 5.264 -1.716 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -21.823 4.811 -3.114 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -21.125 6.338 -1.306 1.00 0.00 C ATOM 0 H LEU A 108 -23.659 8.059 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 108 -23.374 7.082 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.643 5.920 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.155 4.829 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 108 -21.871 4.403 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.779 4.520 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -22.463 3.957 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.050 5.624 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -20.100 6.009 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -21.320 7.235 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -21.265 6.559 -0.248 1.00 0.00 H new ATOM 1724 N GLU A 109 -25.471 5.684 -3.883 1.00 0.00 N ATOM 1725 CA GLU A 109 -26.714 5.232 -4.522 1.00 0.00 C ATOM 1726 C GLU A 109 -27.694 4.609 -3.510 1.00 0.00 C ATOM 1727 O GLU A 109 -28.699 5.231 -3.145 1.00 0.00 O ATOM 1728 CB GLU A 109 -26.412 4.237 -5.644 1.00 0.00 C ATOM 1729 CG GLU A 109 -25.450 4.754 -6.690 1.00 0.00 C ATOM 1730 CD GLU A 109 -25.262 3.788 -7.832 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -24.606 2.749 -7.650 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -25.776 4.059 -8.943 1.00 0.00 O ATOM 0 H GLU A 109 -24.629 5.293 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 109 -27.195 6.114 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -26.001 3.327 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -27.347 3.962 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -25.818 5.704 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -24.485 4.953 -6.224 1.00 0.00 H new ATOM 1739 N SER A 110 -27.418 3.388 -3.076 1.00 0.00 N ATOM 1740 CA SER A 110 -28.246 2.743 -2.081 1.00 0.00 C ATOM 1741 C SER A 110 -27.483 1.603 -1.371 1.00 0.00 C ATOM 1742 O SER A 110 -26.803 1.837 -0.364 1.00 0.00 O ATOM 1743 CB SER A 110 -29.577 2.253 -2.701 1.00 0.00 C ATOM 1744 OG SER A 110 -30.478 1.789 -1.713 1.00 0.00 O ATOM 0 H SER A 110 -26.628 2.829 -3.399 1.00 0.00 H new ATOM 0 HA SER A 110 -28.496 3.481 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 110 -30.039 3.067 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 110 -29.374 1.452 -3.412 1.00 0.00 H new ATOM 0 HG SER A 110 -31.307 1.490 -2.141 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.500 0.396 -1.941 1.00 0.00 N ATOM 1751 CA HIS A 111 -26.867 -0.758 -1.291 1.00 0.00 C ATOM 1752 C HIS A 111 -25.356 -0.731 -1.466 1.00 0.00 C ATOM 1753 O HIS A 111 -24.648 -1.470 -0.808 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.461 -2.117 -1.766 1.00 0.00 C ATOM 1755 CG HIS A 111 -27.185 -2.479 -3.204 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -26.354 -3.509 -3.592 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -27.654 -1.933 -4.345 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -26.340 -3.549 -4.926 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -27.117 -2.607 -5.436 1.00 0.00 N ATOM 0 H HIS A 111 -27.938 0.192 -2.839 1.00 0.00 H new ATOM 0 HA HIS A 111 -27.090 -0.673 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -27.067 -2.908 -1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -28.540 -2.094 -1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -28.340 -1.101 -4.402 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -25.771 -4.256 -5.511 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -27.287 -2.415 -6.423 1.00 0.00 H new ATOM 1767 N MET A 112 -24.884 0.141 -2.359 1.00 0.00 N ATOM 1768 CA MET A 112 -23.446 0.336 -2.611 1.00 0.00 C ATOM 1769 C MET A 112 -22.663 0.510 -1.324 1.00 0.00 C ATOM 1770 O MET A 112 -21.723 -0.249 -1.048 1.00 0.00 O ATOM 1771 CB MET A 112 -23.214 1.546 -3.511 1.00 0.00 C ATOM 1772 CG MET A 112 -23.379 1.281 -4.994 1.00 0.00 C ATOM 1773 SD MET A 112 -22.113 0.171 -5.634 1.00 0.00 S ATOM 1774 CE MET A 112 -20.624 1.134 -5.314 1.00 0.00 C ATOM 0 H MET A 112 -25.485 0.735 -2.931 1.00 0.00 H new ATOM 0 HA MET A 112 -23.088 -0.565 -3.110 1.00 0.00 H new ATOM 0 HB2 MET A 112 -23.906 2.336 -3.219 1.00 0.00 H new ATOM 0 HB3 MET A 112 -22.207 1.924 -3.334 1.00 0.00 H new ATOM 0 HG2 MET A 112 -24.363 0.850 -5.177 1.00 0.00 H new ATOM 0 HG3 MET A 112 -23.339 2.226 -5.536 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.835 0.821 -5.998 1.00 0.00 H new ATOM 0 HE2 MET A 112 -20.836 2.193 -5.464 1.00 0.00 H new ATOM 0 HE3 MET A 112 -20.299 0.971 -4.286 1.00 0.00 H new ATOM 1784 N GLN A 113 -23.073 1.477 -0.519 1.00 0.00 N ATOM 1785 CA GLN A 113 -22.403 1.727 0.724 1.00 0.00 C ATOM 1786 C GLN A 113 -22.539 0.534 1.690 1.00 0.00 C ATOM 1787 O GLN A 113 -21.573 0.150 2.308 1.00 0.00 O ATOM 1788 CB GLN A 113 -22.827 3.044 1.371 1.00 0.00 C ATOM 1789 CG GLN A 113 -24.289 3.203 1.505 1.00 0.00 C ATOM 1790 CD GLN A 113 -24.716 3.768 2.841 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -24.913 3.028 3.785 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -24.956 5.018 2.912 1.00 0.00 N ATOM 0 H GLN A 113 -23.863 2.093 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 113 -21.344 1.837 0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.372 3.115 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -22.434 3.871 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -24.649 3.857 0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -24.766 2.234 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -24.782 5.617 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -25.322 5.419 3.776 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.750 -0.067 1.787 1.00 0.00 N ATOM 1802 CA LYS A 114 -23.985 -1.255 2.576 1.00 0.00 C ATOM 1803 C LYS A 114 -23.032 -2.394 2.223 1.00 0.00 C ATOM 1804 O LYS A 114 -22.618 -3.156 3.112 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.413 -1.719 2.378 1.00 0.00 C ATOM 1806 CG LYS A 114 -26.484 -0.884 3.053 1.00 0.00 C ATOM 1807 CD LYS A 114 -26.575 0.562 2.625 1.00 0.00 C ATOM 1808 CE LYS A 114 -27.718 1.253 3.354 1.00 0.00 C ATOM 1809 NZ LYS A 114 -27.780 2.691 3.054 1.00 0.00 N ATOM 0 H LYS A 114 -24.583 0.277 1.309 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.806 -0.990 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.621 -1.744 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.495 -2.743 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -27.450 -1.356 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -26.312 -0.912 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -25.636 1.072 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -26.732 0.621 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -28.661 0.784 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -27.599 1.113 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -28.758 3.027 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -27.160 3.209 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -27.465 2.856 2.076 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.695 -2.515 0.943 1.00 0.00 N ATOM 1824 CA ASN A 115 -21.751 -3.531 0.493 1.00 0.00 C ATOM 1825 C ASN A 115 -20.437 -3.308 1.165 1.00 0.00 C ATOM 1826 O ASN A 115 -19.857 -4.224 1.763 1.00 0.00 O ATOM 1827 CB ASN A 115 -21.526 -3.507 -1.030 1.00 0.00 C ATOM 1828 CG ASN A 115 -22.747 -3.834 -1.849 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -23.646 -4.540 -1.403 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -22.769 -3.367 -3.067 1.00 0.00 N ATOM 0 H ASN A 115 -23.062 -1.922 0.199 1.00 0.00 H new ATOM 0 HA ASN A 115 -22.177 -4.500 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -21.167 -2.518 -1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -20.737 -4.217 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -23.552 -3.586 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -22.003 -2.783 -3.403 1.00 0.00 H new ATOM 1837 N LEU A 116 -20.007 -2.073 1.117 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.740 -1.648 1.684 1.00 0.00 C ATOM 1839 C LEU A 116 -18.762 -1.793 3.211 1.00 0.00 C ATOM 1840 O LEU A 116 -17.728 -2.002 3.835 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.515 -0.197 1.340 1.00 0.00 C ATOM 1842 CG LEU A 116 -18.746 0.212 -0.116 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -18.777 1.717 -0.226 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.667 -0.358 -1.022 1.00 0.00 C ATOM 0 H LEU A 116 -20.532 -1.317 0.677 1.00 0.00 H new ATOM 0 HA LEU A 116 -17.942 -2.269 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.169 0.406 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.490 0.060 1.606 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.705 -0.193 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -18.942 2.003 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -19.585 2.110 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.827 2.126 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -17.856 -0.051 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.692 0.014 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.677 -1.446 -0.960 1.00 0.00 H new ATOM 1856 N LEU A 117 -19.954 -1.649 3.794 1.00 0.00 N ATOM 1857 CA LEU A 117 -20.146 -1.793 5.226 1.00 0.00 C ATOM 1858 C LEU A 117 -19.852 -3.209 5.685 1.00 0.00 C ATOM 1859 O LEU A 117 -19.283 -3.405 6.753 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.581 -1.443 5.661 1.00 0.00 C ATOM 1861 CG LEU A 117 -22.115 -0.055 5.317 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.498 0.150 5.911 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -21.178 1.021 5.788 1.00 0.00 C ATOM 0 H LEU A 117 -20.808 -1.430 3.281 1.00 0.00 H new ATOM 0 HA LEU A 117 -19.448 -1.094 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -22.253 -2.178 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -21.642 -1.566 6.742 1.00 0.00 H new ATOM 0 HG LEU A 117 -22.189 0.013 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.860 1.145 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -24.181 -0.599 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -23.447 0.051 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.586 1.998 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -21.060 0.953 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -20.208 0.894 5.308 1.00 0.00 H new ATOM 1875 N LYS A 118 -20.255 -4.218 4.908 1.00 0.00 N ATOM 1876 CA LYS A 118 -20.044 -5.556 5.394 1.00 0.00 C ATOM 1877 C LYS A 118 -18.725 -6.160 4.948 1.00 0.00 C ATOM 1878 O LYS A 118 -18.289 -7.167 5.511 1.00 0.00 O ATOM 1879 CB LYS A 118 -21.233 -6.517 5.213 1.00 0.00 C ATOM 1880 CG LYS A 118 -21.418 -7.166 3.866 1.00 0.00 C ATOM 1881 CD LYS A 118 -22.046 -6.271 2.827 1.00 0.00 C ATOM 1882 CE LYS A 118 -22.433 -7.059 1.574 1.00 0.00 C ATOM 1883 NZ LYS A 118 -21.279 -7.714 0.921 1.00 0.00 N ATOM 0 H LYS A 118 -20.702 -4.132 3.995 1.00 0.00 H new ATOM 0 HA LYS A 118 -19.972 -5.423 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -21.138 -7.309 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -22.145 -5.968 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -20.447 -7.501 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -22.038 -8.055 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -22.931 -5.791 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -21.349 -5.477 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -23.170 -7.817 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -22.912 -6.386 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -21.589 -8.160 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -20.548 -7.004 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -20.887 -8.439 1.555 1.00 0.00 H new ATOM 1897 N GLY A 119 -18.088 -5.588 3.935 1.00 0.00 N ATOM 1898 CA GLY A 119 -16.766 -6.044 3.636 1.00 0.00 C ATOM 1899 C GLY A 119 -16.536 -6.411 2.210 1.00 0.00 C ATOM 1900 O GLY A 119 -15.544 -5.954 1.627 1.00 0.00 O ATOM 0 H GLY A 119 -18.454 -4.844 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -16.057 -5.264 3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -16.547 -6.911 4.259 1.00 0.00 H new ATOM 1904 N ILE A 120 -17.424 -7.267 1.645 1.00 0.00 N ATOM 1905 CA ILE A 120 -17.322 -7.717 0.228 1.00 0.00 C ATOM 1906 C ILE A 120 -16.233 -8.814 0.132 1.00 0.00 C ATOM 1907 O ILE A 120 -15.287 -8.814 0.903 1.00 0.00 O ATOM 1908 CB ILE A 120 -16.992 -6.469 -0.696 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -18.076 -5.435 -0.540 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -16.799 -6.793 -2.179 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -17.670 -4.108 -1.041 1.00 0.00 C ATOM 0 H ILE A 120 -18.220 -7.661 2.147 1.00 0.00 H new ATOM 0 HA ILE A 120 -18.265 -8.142 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 120 -16.027 -6.094 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -18.967 -5.764 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -18.348 -5.354 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -16.578 -5.876 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -15.971 -7.493 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -17.710 -7.241 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.489 -3.401 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -16.796 -3.762 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -17.425 -4.179 -2.101 1.00 0.00 H new ATOM 1923 N PRO A 121 -16.339 -9.775 -0.807 1.00 0.00 N ATOM 1924 CA PRO A 121 -15.315 -10.833 -0.980 1.00 0.00 C ATOM 1925 C PRO A 121 -14.061 -10.292 -1.701 1.00 0.00 C ATOM 1926 O PRO A 121 -13.300 -11.026 -2.339 1.00 0.00 O ATOM 1927 CB PRO A 121 -16.027 -11.888 -1.822 1.00 0.00 C ATOM 1928 CG PRO A 121 -17.126 -11.163 -2.540 1.00 0.00 C ATOM 1929 CD PRO A 121 -17.451 -9.922 -1.759 1.00 0.00 C ATOM 0 HA PRO A 121 -14.951 -11.225 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -15.340 -12.354 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -16.428 -12.684 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -16.815 -10.906 -3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.007 -11.799 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.530 -9.053 -2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.405 -10.019 -1.241 1.00 0.00 H new ATOM 1937 N PHE A 122 -13.876 -9.008 -1.522 1.00 0.00 N ATOM 1938 CA PHE A 122 -12.838 -8.198 -2.051 1.00 0.00 C ATOM 1939 C PHE A 122 -12.980 -8.035 -3.566 1.00 0.00 C ATOM 1940 O PHE A 122 -14.034 -8.319 -4.151 1.00 0.00 O ATOM 1941 CB PHE A 122 -11.434 -8.670 -1.600 1.00 0.00 C ATOM 1942 CG PHE A 122 -10.424 -7.548 -1.585 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -10.657 -6.420 -0.817 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -9.272 -7.607 -2.337 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -9.767 -5.378 -0.803 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -8.375 -6.560 -2.323 1.00 0.00 C ATOM 1947 CZ PHE A 122 -8.627 -5.448 -1.556 1.00 0.00 C ATOM 0 H PHE A 122 -14.517 -8.464 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.945 -7.199 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.503 -9.105 -0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -11.087 -9.458 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -11.555 -6.360 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -9.070 -8.479 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.965 -4.504 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.474 -6.614 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.924 -4.628 -1.548 1.00 0.00 H new ATOM 1957 N ARG A 123 -11.969 -7.520 -4.162 1.00 0.00 N ATOM 1958 CA ARG A 123 -11.935 -7.179 -5.538 1.00 0.00 C ATOM 1959 C ARG A 123 -10.543 -7.497 -6.038 1.00 0.00 C ATOM 1960 O ARG A 123 -9.588 -7.338 -5.298 1.00 0.00 O ATOM 1961 CB ARG A 123 -12.179 -5.667 -5.662 1.00 0.00 C ATOM 1962 CG ARG A 123 -13.562 -5.141 -5.242 1.00 0.00 C ATOM 1963 CD ARG A 123 -14.669 -5.465 -6.250 1.00 0.00 C ATOM 1964 NE ARG A 123 -14.971 -6.896 -6.365 1.00 0.00 N ATOM 1965 CZ ARG A 123 -15.772 -7.430 -7.299 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -16.324 -6.658 -8.231 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -16.002 -8.731 -7.302 1.00 0.00 N ATOM 0 H ARG A 123 -11.095 -7.313 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.687 -7.723 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -11.426 -5.153 -5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.010 -5.382 -6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.826 -5.568 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -13.507 -4.060 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.576 -4.935 -5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.377 -5.086 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.543 -7.528 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -16.139 -5.655 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.932 -7.069 -8.939 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.571 -9.327 -6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -16.611 -9.140 -8.011 1.00 0.00 H new ATOM 1981 N THR A 124 -10.432 -7.943 -7.251 1.00 0.00 N ATOM 1982 CA THR A 124 -9.148 -8.216 -7.862 1.00 0.00 C ATOM 1983 C THR A 124 -8.492 -6.839 -8.182 1.00 0.00 C ATOM 1984 O THR A 124 -9.146 -5.814 -7.981 1.00 0.00 O ATOM 1985 CB THR A 124 -9.377 -9.071 -9.138 1.00 0.00 C ATOM 1986 OG1 THR A 124 -10.271 -10.150 -8.818 1.00 0.00 O ATOM 1987 CG2 THR A 124 -8.086 -9.650 -9.682 1.00 0.00 C ATOM 0 H THR A 124 -11.230 -8.132 -7.858 1.00 0.00 H new ATOM 0 HA THR A 124 -8.484 -8.780 -7.207 1.00 0.00 H new ATOM 0 HB THR A 124 -9.799 -8.420 -9.904 1.00 0.00 H new ATOM 0 HG1 THR A 124 -11.192 -9.816 -8.797 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.299 -10.239 -10.574 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.403 -8.840 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.627 -10.288 -8.927 1.00 0.00 H new ATOM 1995 N LYS A 125 -7.259 -6.809 -8.703 1.00 0.00 N ATOM 1996 CA LYS A 125 -6.509 -5.561 -8.896 1.00 0.00 C ATOM 1997 C LYS A 125 -7.327 -4.478 -9.594 1.00 0.00 C ATOM 1998 O LYS A 125 -7.470 -3.369 -9.086 1.00 0.00 O ATOM 1999 CB LYS A 125 -5.192 -5.800 -9.672 1.00 0.00 C ATOM 2000 CG LYS A 125 -5.363 -6.470 -11.044 1.00 0.00 C ATOM 2001 CD LYS A 125 -4.343 -5.978 -12.061 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.560 -4.495 -12.383 1.00 0.00 C ATOM 2003 NZ LYS A 125 -3.671 -4.010 -13.450 1.00 0.00 N ATOM 0 H LYS A 125 -6.755 -7.644 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 125 -6.272 -5.204 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -4.690 -4.842 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -4.534 -6.418 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.269 -7.550 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.368 -6.275 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.336 -6.126 -11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.421 -6.567 -12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.597 -4.340 -12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.396 -3.904 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.938 -3.039 -13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.687 -4.020 -13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.758 -4.628 -14.282 1.00 0.00 H new ATOM 2017 N ALA A 126 -7.941 -4.840 -10.695 1.00 0.00 N ATOM 2018 CA ALA A 126 -8.620 -3.900 -11.499 1.00 0.00 C ATOM 2019 C ALA A 126 -10.005 -3.649 -10.965 1.00 0.00 C ATOM 2020 O ALA A 126 -10.590 -2.596 -11.187 1.00 0.00 O ATOM 2021 CB ALA A 126 -8.641 -4.392 -12.915 1.00 0.00 C ATOM 0 H ALA A 126 -7.974 -5.798 -11.043 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.097 -2.944 -11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.164 -3.671 -13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.619 -4.511 -13.274 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.155 -5.352 -12.959 1.00 0.00 H new ATOM 2027 N GLU A 127 -10.510 -4.601 -10.206 1.00 0.00 N ATOM 2028 CA GLU A 127 -11.854 -4.489 -9.675 1.00 0.00 C ATOM 2029 C GLU A 127 -11.831 -3.585 -8.452 1.00 0.00 C ATOM 2030 O GLU A 127 -12.804 -2.913 -8.131 1.00 0.00 O ATOM 2031 CB GLU A 127 -12.390 -5.849 -9.292 1.00 0.00 C ATOM 2032 CG GLU A 127 -12.132 -6.918 -10.306 1.00 0.00 C ATOM 2033 CD GLU A 127 -12.826 -8.200 -9.946 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -12.490 -8.790 -8.891 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -13.700 -8.645 -10.700 1.00 0.00 O ATOM 0 H GLU A 127 -10.015 -5.454 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 127 -12.505 -4.065 -10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.944 -6.149 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.465 -5.771 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.473 -6.582 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.059 -7.094 -10.385 1.00 0.00 H new ATOM 2042 N PHE A 128 -10.709 -3.594 -7.774 1.00 0.00 N ATOM 2043 CA PHE A 128 -10.481 -2.767 -6.624 1.00 0.00 C ATOM 2044 C PHE A 128 -10.449 -1.310 -7.034 1.00 0.00 C ATOM 2045 O PHE A 128 -11.161 -0.483 -6.484 1.00 0.00 O ATOM 2046 CB PHE A 128 -9.165 -3.182 -5.952 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.703 -2.226 -4.897 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -9.115 -2.360 -3.589 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -7.865 -1.175 -5.235 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -8.699 -1.462 -2.630 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -7.453 -0.274 -4.288 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.870 -0.415 -2.981 1.00 0.00 C ATOM 0 H PHE A 128 -9.916 -4.189 -8.014 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.293 -2.897 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.290 -4.169 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.390 -3.272 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -9.769 -3.174 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -7.533 -1.065 -6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -9.021 -1.577 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -6.804 0.544 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 128 -7.548 0.293 -2.232 1.00 0.00 H new ATOM 2062 N GLU A 129 -9.642 -1.000 -8.007 1.00 0.00 N ATOM 2063 CA GLU A 129 -9.557 0.356 -8.487 1.00 0.00 C ATOM 2064 C GLU A 129 -10.866 0.786 -9.170 1.00 0.00 C ATOM 2065 O GLU A 129 -11.168 1.974 -9.265 1.00 0.00 O ATOM 2066 CB GLU A 129 -8.324 0.549 -9.359 1.00 0.00 C ATOM 2067 CG GLU A 129 -8.158 -0.497 -10.426 1.00 0.00 C ATOM 2068 CD GLU A 129 -6.968 -0.253 -11.305 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -7.035 0.625 -12.189 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -5.951 -0.933 -11.150 1.00 0.00 O ATOM 0 H GLU A 129 -9.033 -1.664 -8.485 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.432 1.023 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.376 1.530 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.439 0.548 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.061 -1.476 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -9.057 -0.527 -11.041 1.00 0.00 H new ATOM 2077 N ASP A 130 -11.640 -0.203 -9.601 1.00 0.00 N ATOM 2078 CA ASP A 130 -12.964 0.001 -10.204 1.00 0.00 C ATOM 2079 C ASP A 130 -13.958 0.467 -9.148 1.00 0.00 C ATOM 2080 O ASP A 130 -14.723 1.403 -9.360 1.00 0.00 O ATOM 2081 CB ASP A 130 -13.451 -1.312 -10.789 1.00 0.00 C ATOM 2082 CG ASP A 130 -14.826 -1.243 -11.398 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -15.814 -1.495 -10.679 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -14.943 -0.987 -12.619 1.00 0.00 O ATOM 0 H ASP A 130 -11.368 -1.184 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 130 -12.886 0.759 -10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -12.744 -1.642 -11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -13.451 -2.069 -10.005 1.00 0.00 H new ATOM 2089 N VAL A 131 -13.967 -0.198 -8.022 1.00 0.00 N ATOM 2090 CA VAL A 131 -14.842 0.213 -6.940 1.00 0.00 C ATOM 2091 C VAL A 131 -14.333 1.527 -6.309 1.00 0.00 C ATOM 2092 O VAL A 131 -15.117 2.425 -5.988 1.00 0.00 O ATOM 2093 CB VAL A 131 -15.058 -0.922 -5.879 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -13.762 -1.403 -5.295 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -15.997 -0.488 -4.776 1.00 0.00 C ATOM 0 H VAL A 131 -13.390 -1.016 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 131 -15.829 0.406 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 131 -15.517 -1.754 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.961 -2.188 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -13.129 -1.798 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -13.253 -0.573 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -16.120 -1.302 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -15.583 0.382 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -16.966 -0.231 -5.203 1.00 0.00 H new ATOM 2105 N ILE A 132 -13.018 1.658 -6.209 1.00 0.00 N ATOM 2106 CA ILE A 132 -12.386 2.853 -5.670 1.00 0.00 C ATOM 2107 C ILE A 132 -12.667 4.102 -6.523 1.00 0.00 C ATOM 2108 O ILE A 132 -12.879 5.198 -5.978 1.00 0.00 O ATOM 2109 CB ILE A 132 -10.849 2.630 -5.405 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -10.593 2.198 -3.941 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -9.990 3.836 -5.782 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -11.321 0.938 -3.507 1.00 0.00 C ATOM 0 H ILE A 132 -12.358 0.937 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 132 -12.845 3.046 -4.701 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.541 1.819 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -9.522 2.046 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -10.886 3.014 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -8.943 3.616 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.112 4.052 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -10.302 4.702 -5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -11.078 0.717 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -12.396 1.087 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -11.012 0.104 -4.137 1.00 0.00 H new ATOM 2124 N GLU A 133 -12.723 3.940 -7.842 1.00 0.00 N ATOM 2125 CA GLU A 133 -13.015 5.073 -8.706 1.00 0.00 C ATOM 2126 C GLU A 133 -14.455 5.542 -8.510 1.00 0.00 C ATOM 2127 O GLU A 133 -14.752 6.730 -8.590 1.00 0.00 O ATOM 2128 CB GLU A 133 -12.723 4.784 -10.176 1.00 0.00 C ATOM 2129 CG GLU A 133 -13.571 3.717 -10.794 1.00 0.00 C ATOM 2130 CD GLU A 133 -13.289 3.537 -12.249 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -12.250 2.963 -12.596 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -14.080 4.018 -13.082 1.00 0.00 O ATOM 0 H GLU A 133 -12.573 3.054 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.343 5.879 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -12.854 5.705 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.676 4.496 -10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.400 2.774 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -14.623 3.969 -10.659 1.00 0.00 H new ATOM 2139 N HIS A 134 -15.325 4.606 -8.173 1.00 0.00 N ATOM 2140 CA HIS A 134 -16.717 4.914 -7.956 1.00 0.00 C ATOM 2141 C HIS A 134 -16.848 5.669 -6.627 1.00 0.00 C ATOM 2142 O HIS A 134 -17.625 6.585 -6.496 1.00 0.00 O ATOM 2143 CB HIS A 134 -17.534 3.622 -7.939 1.00 0.00 C ATOM 2144 CG HIS A 134 -18.967 3.806 -8.311 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -19.442 3.629 -9.589 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -20.033 4.152 -7.560 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -20.751 3.869 -9.579 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -21.167 4.195 -8.366 1.00 0.00 N ATOM 0 H HIS A 134 -15.085 3.623 -8.045 1.00 0.00 H new ATOM 0 HA HIS A 134 -17.100 5.541 -8.761 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -17.080 2.908 -8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -17.481 3.184 -6.942 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -20.010 4.362 -6.501 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -21.390 3.806 -10.447 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -22.118 4.429 -8.081 1.00 0.00 H new ATOM 2156 N MET A 135 -16.050 5.268 -5.660 1.00 0.00 N ATOM 2157 CA MET A 135 -15.975 5.933 -4.352 1.00 0.00 C ATOM 2158 C MET A 135 -15.527 7.388 -4.517 1.00 0.00 C ATOM 2159 O MET A 135 -16.162 8.324 -3.999 1.00 0.00 O ATOM 2160 CB MET A 135 -14.973 5.221 -3.435 1.00 0.00 C ATOM 2161 CG MET A 135 -15.215 3.733 -3.150 1.00 0.00 C ATOM 2162 SD MET A 135 -16.744 3.355 -2.258 1.00 0.00 S ATOM 2163 CE MET A 135 -17.989 3.390 -3.544 1.00 0.00 C ATOM 0 H MET A 135 -15.426 4.466 -5.748 1.00 0.00 H new ATOM 0 HA MET A 135 -16.970 5.896 -3.907 1.00 0.00 H new ATOM 0 HB2 MET A 135 -13.981 5.323 -3.875 1.00 0.00 H new ATOM 0 HB3 MET A 135 -14.954 5.749 -2.481 1.00 0.00 H new ATOM 0 HG2 MET A 135 -15.224 3.195 -4.098 1.00 0.00 H new ATOM 0 HG3 MET A 135 -14.373 3.349 -2.574 1.00 0.00 H new ATOM 0 HE1 MET A 135 -18.659 2.539 -3.425 1.00 0.00 H new ATOM 0 HE2 MET A 135 -18.561 4.315 -3.472 1.00 0.00 H new ATOM 0 HE3 MET A 135 -17.506 3.337 -4.520 1.00 0.00 H new ATOM 2173 N LYS A 136 -14.451 7.587 -5.261 1.00 0.00 N ATOM 2174 CA LYS A 136 -13.916 8.926 -5.459 1.00 0.00 C ATOM 2175 C LYS A 136 -14.809 9.788 -6.328 1.00 0.00 C ATOM 2176 O LYS A 136 -14.666 11.005 -6.324 1.00 0.00 O ATOM 2177 CB LYS A 136 -12.482 8.942 -5.970 1.00 0.00 C ATOM 2178 CG LYS A 136 -12.289 8.258 -7.288 1.00 0.00 C ATOM 2179 CD LYS A 136 -10.873 8.404 -7.801 1.00 0.00 C ATOM 2180 CE LYS A 136 -9.855 7.882 -6.803 1.00 0.00 C ATOM 2181 NZ LYS A 136 -8.494 7.931 -7.342 1.00 0.00 N ATOM 0 H LYS A 136 -13.934 6.846 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 136 -13.897 9.365 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -12.152 9.977 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -11.840 8.466 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -12.530 7.200 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -12.984 8.674 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -10.770 7.863 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.669 9.454 -8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.906 8.473 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.103 6.855 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -7.826 7.567 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -8.439 7.347 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -8.248 8.914 -7.576 1.00 0.00 H new ATOM 2195 N THR A 137 -15.719 9.166 -7.091 1.00 0.00 N ATOM 2196 CA THR A 137 -16.650 9.929 -7.900 1.00 0.00 C ATOM 2197 C THR A 137 -17.563 10.738 -6.956 1.00 0.00 C ATOM 2198 O THR A 137 -18.054 11.804 -7.301 1.00 0.00 O ATOM 2199 CB THR A 137 -17.480 9.019 -8.894 1.00 0.00 C ATOM 2200 OG1 THR A 137 -17.694 9.715 -10.128 1.00 0.00 O ATOM 2201 CG2 THR A 137 -18.858 8.636 -8.340 1.00 0.00 C ATOM 0 H THR A 137 -15.822 8.153 -7.158 1.00 0.00 H new ATOM 0 HA THR A 137 -16.089 10.610 -8.540 1.00 0.00 H new ATOM 0 HB THR A 137 -16.894 8.111 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 137 -18.207 9.146 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 137 -19.381 8.012 -9.065 1.00 0.00 H new ATOM 0 HG22 THR A 137 -18.735 8.084 -7.408 1.00 0.00 H new ATOM 0 HG23 THR A 137 -19.439 9.539 -8.153 1.00 0.00 H new ATOM 2209 N TYR A 138 -17.733 10.231 -5.731 1.00 0.00 N ATOM 2210 CA TYR A 138 -18.480 10.919 -4.740 1.00 0.00 C ATOM 2211 C TYR A 138 -17.590 11.938 -4.083 1.00 0.00 C ATOM 2212 O TYR A 138 -17.903 13.112 -4.075 1.00 0.00 O ATOM 2213 CB TYR A 138 -19.089 9.930 -3.731 1.00 0.00 C ATOM 2214 CG TYR A 138 -20.122 9.052 -4.384 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -21.311 9.605 -4.815 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -19.895 7.702 -4.640 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -22.259 8.854 -5.465 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -20.832 6.955 -5.303 1.00 0.00 C ATOM 2219 CZ TYR A 138 -22.014 7.530 -5.709 1.00 0.00 C ATOM 2220 OH TYR A 138 -22.948 6.775 -6.365 1.00 0.00 O ATOM 0 H TYR A 138 -17.349 9.337 -5.426 1.00 0.00 H new ATOM 0 HA TYR A 138 -19.319 11.442 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -18.300 9.311 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -19.544 10.481 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -21.500 10.653 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -18.974 7.241 -4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -23.189 9.304 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -20.642 5.912 -5.508 1.00 0.00 H new ATOM 0 HH TYR A 138 -22.537 5.939 -6.670 1.00 0.00 H new ATOM 2230 N SER A 139 -16.446 11.472 -3.565 1.00 0.00 N ATOM 2231 CA SER A 139 -15.400 12.295 -2.911 1.00 0.00 C ATOM 2232 C SER A 139 -15.929 13.179 -1.760 1.00 0.00 C ATOM 2233 O SER A 139 -15.210 14.029 -1.239 1.00 0.00 O ATOM 2234 CB SER A 139 -14.627 13.136 -3.951 1.00 0.00 C ATOM 2235 OG SER A 139 -15.479 14.033 -4.665 1.00 0.00 O ATOM 0 H SER A 139 -16.208 10.480 -3.586 1.00 0.00 H new ATOM 0 HA SER A 139 -14.712 11.589 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 139 -13.846 13.705 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 139 -14.131 12.470 -4.657 1.00 0.00 H new ATOM 0 HG SER A 139 -16.373 14.023 -4.264 1.00 0.00 H new ATOM 2241 N GLY A 140 -17.149 12.932 -1.351 1.00 0.00 N ATOM 2242 CA GLY A 140 -17.779 13.754 -0.385 1.00 0.00 C ATOM 2243 C GLY A 140 -18.301 14.990 -1.061 1.00 0.00 C ATOM 2244 O GLY A 140 -17.601 16.011 -1.089 1.00 0.00 O ATOM 2245 OXT GLY A 140 -19.378 14.925 -1.660 1.00 0.00 O ATOM 0 H GLY A 140 -17.719 12.155 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -18.595 13.214 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -17.071 14.024 0.399 1.00 0.00 H new TER 2249 GLY A 140