USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 925 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 102 MET CE :methyl 165:sc=-0.00761 (180deg=-0.00761) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -2.42 X(o=-6.1,f=-6.4) USER MOD Set 2.2: A 73 TYR OH : rot 109:sc=-0.00476 USER MOD Set 2.3: A 90 MET CE :methyl -178:sc= -3.67! (180deg=-3.84!) USER MOD Set 3.1: A 25 TYR OH : rot 152:sc= -2.5 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -2 X(o=-4.5,f=-4.3) USER MOD Set 4.1: A 32 ASN : amide:sc= -2.24 X(o=-2.4,f=-2.7!) USER MOD Set 4.2: A 35 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0684 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.907! C(o=-0.91!,f=-6.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -170:sc= -2.08! USER MOD Single : A 18 CYS SG : rot 62:sc= 0.706 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -68:sc= 0.381 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0559 K(o=-0.056,f=-2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 36 SER OG : rot -116:sc= 0.109 USER MOD Single : A 39 ASN : amide:sc= -0.446! C(o=-0.45!,f=-8.1!) USER MOD Single : A 42 SER OG : rot 142:sc= -0.336 USER MOD Single : A 44 CYS SG : rot 79:sc= -0.916 USER MOD Single : A 48 HIS : no HD1:sc= -7.65! C(o=-7.7!,f=-5.5!) USER MOD Single : A 57 TYR OH : rot 165:sc= -0.364 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -50:sc= 0.568 USER MOD Single : A 61 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.1!) USER MOD Single : A 63 GLN : amide:sc= -8.93! C(o=-8.9!,f=-13!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0789 K(o=-0.079,f=-2.5) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 36:sc= 0.469 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc=-0.00313 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 104 TYR OH : rot -132:sc= 0.0315 USER MOD Single : A 107 GLN : amide:sc= -3.47! C(o=-3.5!,f=-2.5!) USER MOD Single : A 111 HIS : no HE2:sc= -0.357 K(o=-0.36,f=-1.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 37:sc= 0.103 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.667 -6.071 -17.851 1.00 0.00 N ATOM 2 CA GLY A 1 21.274 -7.256 -17.273 1.00 0.00 C ATOM 3 C GLY A 1 20.435 -7.853 -16.161 1.00 0.00 C ATOM 4 O GLY A 1 19.291 -7.449 -15.952 1.00 0.00 O ATOM 0 H1 GLY A 1 20.525 -6.216 -18.871 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.749 -5.894 -17.395 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.291 -5.253 -17.701 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.422 -8.002 -18.053 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.260 -7.002 -16.884 1.00 0.00 H new ATOM 8 N SER A 2 21.004 -8.818 -15.445 1.00 0.00 N ATOM 9 CA SER A 2 20.298 -9.476 -14.352 1.00 0.00 C ATOM 10 C SER A 2 19.724 -8.450 -13.380 1.00 0.00 C ATOM 11 O SER A 2 20.197 -7.315 -13.308 1.00 0.00 O ATOM 12 CB SER A 2 21.238 -10.428 -13.610 1.00 0.00 C ATOM 13 OG SER A 2 21.604 -11.525 -14.429 1.00 0.00 O ATOM 0 H SER A 2 21.952 -9.161 -15.602 1.00 0.00 H new ATOM 0 HA SER A 2 19.474 -10.048 -14.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.133 -9.890 -13.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.752 -10.792 -12.705 1.00 0.00 H new ATOM 0 HG SER A 2 22.206 -12.117 -13.932 1.00 0.00 H new ATOM 19 N SER A 3 18.702 -8.857 -12.634 1.00 0.00 N ATOM 20 CA SER A 3 18.060 -7.972 -11.669 1.00 0.00 C ATOM 21 C SER A 3 18.069 -8.592 -10.275 1.00 0.00 C ATOM 22 O SER A 3 17.644 -7.969 -9.303 1.00 0.00 O ATOM 23 CB SER A 3 16.622 -7.673 -12.097 1.00 0.00 C ATOM 24 OG SER A 3 15.869 -8.867 -12.224 1.00 0.00 O ATOM 0 H SER A 3 18.301 -9.794 -12.679 1.00 0.00 H new ATOM 0 HA SER A 3 18.623 -7.039 -11.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.150 -7.018 -11.365 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.626 -7.139 -13.047 1.00 0.00 H new ATOM 0 HG SER A 3 14.953 -8.649 -12.497 1.00 0.00 H new ATOM 30 N GLY A 4 18.559 -9.825 -10.185 1.00 0.00 N ATOM 31 CA GLY A 4 18.615 -10.510 -8.906 1.00 0.00 C ATOM 32 C GLY A 4 17.243 -10.916 -8.405 1.00 0.00 C ATOM 33 O GLY A 4 16.333 -10.090 -8.329 1.00 0.00 O ATOM 0 H GLY A 4 18.918 -10.362 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.241 -11.397 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.090 -9.861 -8.170 1.00 0.00 H new ATOM 37 N SER A 5 17.093 -12.191 -8.065 1.00 0.00 N ATOM 38 CA SER A 5 15.820 -12.707 -7.574 1.00 0.00 C ATOM 39 C SER A 5 15.203 -11.751 -6.558 1.00 0.00 C ATOM 40 O SER A 5 14.006 -11.466 -6.604 1.00 0.00 O ATOM 41 CB SER A 5 16.015 -14.086 -6.940 1.00 0.00 C ATOM 42 OG SER A 5 15.877 -15.114 -7.905 1.00 0.00 O ATOM 0 H SER A 5 17.837 -12.887 -8.120 1.00 0.00 H new ATOM 0 HA SER A 5 15.141 -12.797 -8.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.002 -14.143 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.285 -14.230 -6.143 1.00 0.00 H new ATOM 0 HG SER A 5 16.008 -15.985 -7.476 1.00 0.00 H new ATOM 48 N SER A 6 16.028 -11.258 -5.640 1.00 0.00 N ATOM 49 CA SER A 6 15.564 -10.336 -4.610 1.00 0.00 C ATOM 50 C SER A 6 16.360 -9.035 -4.645 1.00 0.00 C ATOM 51 O SER A 6 17.483 -8.995 -5.146 1.00 0.00 O ATOM 52 CB SER A 6 15.681 -10.982 -3.228 1.00 0.00 C ATOM 53 OG SER A 6 16.973 -11.531 -3.030 1.00 0.00 O ATOM 0 H SER A 6 17.022 -11.482 -5.588 1.00 0.00 H new ATOM 0 HA SER A 6 14.517 -10.106 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.476 -10.239 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.930 -11.765 -3.124 1.00 0.00 H new ATOM 0 HG SER A 6 17.023 -11.936 -2.139 1.00 0.00 H new ATOM 59 N GLY A 7 15.769 -7.972 -4.109 1.00 0.00 N ATOM 60 CA GLY A 7 16.436 -6.683 -4.089 1.00 0.00 C ATOM 61 C GLY A 7 15.478 -5.531 -4.316 1.00 0.00 C ATOM 62 O GLY A 7 15.387 -4.978 -5.413 1.00 0.00 O ATOM 0 H GLY A 7 14.840 -7.980 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.937 -6.551 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.209 -6.665 -4.857 1.00 0.00 H new ATOM 66 N PRO A 8 14.741 -5.152 -3.262 1.00 0.00 N ATOM 67 CA PRO A 8 13.771 -4.055 -3.327 1.00 0.00 C ATOM 68 C PRO A 8 14.444 -2.694 -3.469 1.00 0.00 C ATOM 69 O PRO A 8 13.774 -1.667 -3.560 1.00 0.00 O ATOM 70 CB PRO A 8 13.037 -4.151 -1.987 1.00 0.00 C ATOM 71 CG PRO A 8 14.006 -4.815 -1.071 1.00 0.00 C ATOM 72 CD PRO A 8 14.798 -5.766 -1.924 1.00 0.00 C ATOM 0 HA PRO A 8 13.117 -4.140 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.756 -3.165 -1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.119 -4.731 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.658 -4.082 -0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.487 -5.346 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.824 -5.864 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.363 -6.766 -1.922 1.00 0.00 H new ATOM 80 N ASN A 9 15.773 -2.695 -3.488 1.00 0.00 N ATOM 81 CA ASN A 9 16.536 -1.460 -3.619 1.00 0.00 C ATOM 82 C ASN A 9 16.415 -0.892 -5.030 1.00 0.00 C ATOM 83 O ASN A 9 17.385 -0.870 -5.786 1.00 0.00 O ATOM 84 CB ASN A 9 18.008 -1.707 -3.281 1.00 0.00 C ATOM 85 CG ASN A 9 18.184 -2.438 -1.965 1.00 0.00 C ATOM 86 OD1 ASN A 9 17.287 -3.149 -1.512 1.00 0.00 O ATOM 87 ND2 ASN A 9 19.345 -2.265 -1.343 1.00 0.00 N ATOM 0 H ASN A 9 16.343 -3.537 -3.414 1.00 0.00 H new ATOM 0 HA ASN A 9 16.126 -0.733 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.469 -2.287 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.533 -0.753 -3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.521 -2.731 -0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.060 -1.666 -1.756 1.00 0.00 H new ATOM 94 N ALA A 10 15.216 -0.435 -5.377 1.00 0.00 N ATOM 95 CA ALA A 10 14.968 0.135 -6.695 1.00 0.00 C ATOM 96 C ALA A 10 13.558 0.708 -6.789 1.00 0.00 C ATOM 97 O ALA A 10 12.579 0.027 -6.485 1.00 0.00 O ATOM 98 CB ALA A 10 15.186 -0.916 -7.774 1.00 0.00 C ATOM 0 H ALA A 10 14.401 -0.449 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 10 15.674 0.951 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.997 -0.476 -8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.214 -1.275 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.503 -1.750 -7.613 1.00 0.00 H new ATOM 104 N SER A 11 13.462 1.965 -7.211 1.00 0.00 N ATOM 105 CA SER A 11 12.172 2.631 -7.341 1.00 0.00 C ATOM 106 C SER A 11 11.212 1.797 -8.183 1.00 0.00 C ATOM 107 O SER A 11 10.040 1.644 -7.839 1.00 0.00 O ATOM 108 CB SER A 11 12.349 4.015 -7.969 1.00 0.00 C ATOM 109 OG SER A 11 13.028 3.928 -9.210 1.00 0.00 O ATOM 0 H SER A 11 14.262 2.542 -7.469 1.00 0.00 H new ATOM 0 HA SER A 11 11.748 2.744 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.374 4.479 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.908 4.658 -7.289 1.00 0.00 H new ATOM 0 HG SER A 11 13.127 4.825 -9.592 1.00 0.00 H new ATOM 115 N GLN A 12 11.718 1.259 -9.288 1.00 0.00 N ATOM 116 CA GLN A 12 10.906 0.441 -10.181 1.00 0.00 C ATOM 117 C GLN A 12 10.416 -0.817 -9.471 1.00 0.00 C ATOM 118 O GLN A 12 9.216 -1.091 -9.430 1.00 0.00 O ATOM 119 CB GLN A 12 11.706 0.059 -11.427 1.00 0.00 C ATOM 120 CG GLN A 12 10.860 -0.559 -12.528 1.00 0.00 C ATOM 121 CD GLN A 12 11.694 -1.081 -13.681 1.00 0.00 C ATOM 122 OE1 GLN A 12 12.236 -0.307 -14.471 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.801 -2.401 -13.785 1.00 0.00 N ATOM 0 H GLN A 12 12.687 1.375 -9.586 1.00 0.00 H new ATOM 0 HA GLN A 12 10.038 1.028 -10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.202 0.948 -11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.489 -0.644 -11.144 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.270 -1.376 -12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.156 0.185 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.335 -3.005 -13.108 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.349 -2.810 -14.542 1.00 0.00 H new ATOM 132 N SER A 13 11.352 -1.578 -8.913 1.00 0.00 N ATOM 133 CA SER A 13 11.015 -2.809 -8.208 1.00 0.00 C ATOM 134 C SER A 13 9.700 -2.659 -7.450 1.00 0.00 C ATOM 135 O SER A 13 8.688 -3.259 -7.815 1.00 0.00 O ATOM 136 CB SER A 13 12.136 -3.189 -7.238 1.00 0.00 C ATOM 137 OG SER A 13 13.348 -3.436 -7.930 1.00 0.00 O ATOM 0 H SER A 13 12.349 -1.364 -8.935 1.00 0.00 H new ATOM 0 HA SER A 13 10.899 -3.602 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.283 -2.386 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.848 -4.076 -6.674 1.00 0.00 H new ATOM 0 HG SER A 13 14.002 -3.827 -7.314 1.00 0.00 H new ATOM 143 N LEU A 14 9.722 -1.855 -6.392 1.00 0.00 N ATOM 144 CA LEU A 14 8.532 -1.625 -5.581 1.00 0.00 C ATOM 145 C LEU A 14 7.311 -1.381 -6.462 1.00 0.00 C ATOM 146 O LEU A 14 6.283 -2.043 -6.314 1.00 0.00 O ATOM 147 CB LEU A 14 8.749 -0.432 -4.649 1.00 0.00 C ATOM 148 CG LEU A 14 7.625 -0.146 -3.652 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.459 -1.309 -2.687 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.902 1.144 -2.893 1.00 0.00 C ATOM 0 H LEU A 14 10.551 -1.352 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 14 8.352 -2.518 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.670 -0.596 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.901 0.458 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 14 6.694 -0.026 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.655 -1.088 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.215 -2.213 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.388 -1.462 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.092 1.332 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.842 1.052 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.970 1.973 -3.597 1.00 0.00 H new ATOM 162 N LEU A 15 7.432 -0.430 -7.381 1.00 0.00 N ATOM 163 CA LEU A 15 6.339 -0.100 -8.289 1.00 0.00 C ATOM 164 C LEU A 15 5.816 -1.350 -8.989 1.00 0.00 C ATOM 165 O LEU A 15 4.626 -1.457 -9.284 1.00 0.00 O ATOM 166 CB LEU A 15 6.803 0.924 -9.326 1.00 0.00 C ATOM 167 CG LEU A 15 5.697 1.662 -10.083 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.303 2.932 -9.346 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.144 1.982 -11.502 1.00 0.00 C ATOM 0 H LEU A 15 8.276 0.126 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 15 5.528 0.330 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.427 1.663 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.435 0.414 -10.053 1.00 0.00 H new ATOM 0 HG LEU A 15 4.823 1.012 -10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.515 3.444 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.941 2.677 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.170 3.587 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.345 2.507 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.032 2.613 -11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.375 1.056 -12.028 1.00 0.00 H new ATOM 181 N VAL A 16 6.714 -2.294 -9.251 1.00 0.00 N ATOM 182 CA VAL A 16 6.344 -3.539 -9.914 1.00 0.00 C ATOM 183 C VAL A 16 5.639 -4.486 -8.950 1.00 0.00 C ATOM 184 O VAL A 16 4.606 -5.068 -9.280 1.00 0.00 O ATOM 185 CB VAL A 16 7.577 -4.249 -10.505 1.00 0.00 C ATOM 186 CG1 VAL A 16 7.166 -5.529 -11.215 1.00 0.00 C ATOM 187 CG2 VAL A 16 8.323 -3.320 -11.451 1.00 0.00 C ATOM 0 H VAL A 16 7.703 -2.220 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 16 5.663 -3.276 -10.724 1.00 0.00 H new ATOM 0 HB VAL A 16 8.249 -4.515 -9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.050 -6.017 -11.626 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.679 -6.198 -10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.474 -5.291 -12.023 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.191 -3.837 -11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.662 -3.022 -12.265 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.651 -2.434 -10.907 1.00 0.00 H new ATOM 197 N TRP A 17 6.205 -4.636 -7.757 1.00 0.00 N ATOM 198 CA TRP A 17 5.630 -5.513 -6.744 1.00 0.00 C ATOM 199 C TRP A 17 4.138 -5.248 -6.577 1.00 0.00 C ATOM 200 O TRP A 17 3.334 -6.180 -6.525 1.00 0.00 O ATOM 201 CB TRP A 17 6.347 -5.320 -5.407 1.00 0.00 C ATOM 202 CG TRP A 17 5.956 -6.331 -4.372 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.465 -7.590 -4.222 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.973 -6.169 -3.344 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.857 -8.220 -3.163 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.939 -7.369 -2.607 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.120 -5.126 -2.972 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.084 -7.553 -1.523 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.272 -5.311 -1.897 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.260 -6.516 -1.182 1.00 0.00 C ATOM 0 H TRP A 17 7.061 -4.162 -7.468 1.00 0.00 H new ATOM 0 HA TRP A 17 5.762 -6.543 -7.074 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.424 -5.374 -5.569 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.132 -4.321 -5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.232 -8.026 -4.844 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.057 -9.168 -2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.124 -4.192 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.072 -8.481 -0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.607 -4.513 -1.603 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.587 -6.628 -0.345 1.00 0.00 H new ATOM 221 N CYS A 18 3.773 -3.973 -6.495 1.00 0.00 N ATOM 222 CA CYS A 18 2.376 -3.586 -6.334 1.00 0.00 C ATOM 223 C CYS A 18 1.590 -3.842 -7.615 1.00 0.00 C ATOM 224 O CYS A 18 0.646 -4.632 -7.631 1.00 0.00 O ATOM 225 CB CYS A 18 2.276 -2.110 -5.946 1.00 0.00 C ATOM 226 SG CYS A 18 3.503 -1.582 -4.727 1.00 0.00 S ATOM 0 H CYS A 18 4.425 -3.190 -6.537 1.00 0.00 H new ATOM 0 HA CYS A 18 1.946 -4.193 -5.538 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.386 -1.501 -6.843 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.279 -1.916 -5.550 1.00 0.00 H new ATOM 0 HG CYS A 18 4.697 -1.733 -5.219 1.00 0.00 H new ATOM 232 N LYS A 19 1.984 -3.166 -8.690 1.00 0.00 N ATOM 233 CA LYS A 19 1.316 -3.319 -9.977 1.00 0.00 C ATOM 234 C LYS A 19 1.149 -4.793 -10.332 1.00 0.00 C ATOM 235 O LYS A 19 0.240 -5.162 -11.074 1.00 0.00 O ATOM 236 CB LYS A 19 2.110 -2.606 -11.074 1.00 0.00 C ATOM 237 CG LYS A 19 2.110 -1.093 -10.940 1.00 0.00 C ATOM 238 CD LYS A 19 3.157 -0.453 -11.836 1.00 0.00 C ATOM 239 CE LYS A 19 2.677 -0.361 -13.276 1.00 0.00 C ATOM 240 NZ LYS A 19 3.486 0.606 -14.069 1.00 0.00 N ATOM 0 H LYS A 19 2.763 -2.507 -8.695 1.00 0.00 H new ATOM 0 HA LYS A 19 0.327 -2.868 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.139 -2.964 -11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.695 -2.876 -12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.124 -0.704 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.301 -0.819 -9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.394 0.545 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.078 -1.035 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.730 -1.346 -13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.630 -0.057 -13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.128 0.640 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.415 1.551 -13.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.481 0.303 -14.076 1.00 0.00 H new ATOM 254 N GLU A 20 2.032 -5.630 -9.796 1.00 0.00 N ATOM 255 CA GLU A 20 1.981 -7.063 -10.057 1.00 0.00 C ATOM 256 C GLU A 20 0.815 -7.710 -9.315 1.00 0.00 C ATOM 257 O GLU A 20 -0.046 -8.346 -9.922 1.00 0.00 O ATOM 258 CB GLU A 20 3.295 -7.727 -9.642 1.00 0.00 C ATOM 259 CG GLU A 20 3.490 -9.114 -10.231 1.00 0.00 C ATOM 260 CD GLU A 20 4.930 -9.582 -10.161 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.379 -9.953 -9.056 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.609 -9.575 -11.209 1.00 0.00 O ATOM 0 H GLU A 20 2.791 -5.340 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 20 1.832 -7.206 -11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.126 -7.091 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.330 -7.795 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.856 -9.823 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.163 -9.112 -11.271 1.00 0.00 H new ATOM 269 N VAL A 21 0.794 -7.542 -7.996 1.00 0.00 N ATOM 270 CA VAL A 21 -0.265 -8.108 -7.170 1.00 0.00 C ATOM 271 C VAL A 21 -1.623 -7.521 -7.539 1.00 0.00 C ATOM 272 O VAL A 21 -2.664 -8.131 -7.292 1.00 0.00 O ATOM 273 CB VAL A 21 -0.001 -7.862 -5.672 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.383 -8.360 -5.285 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.158 -6.386 -5.340 1.00 0.00 C ATOM 0 H VAL A 21 1.499 -7.018 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.273 -9.182 -7.358 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.736 -8.421 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.552 -8.178 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.454 -9.429 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.136 -7.831 -5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.032 -6.230 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.554 -5.804 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.172 -6.065 -5.578 1.00 0.00 H new ATOM 285 N THR A 22 -1.605 -6.331 -8.132 1.00 0.00 N ATOM 286 CA THR A 22 -2.835 -5.660 -8.535 1.00 0.00 C ATOM 287 C THR A 22 -2.979 -5.642 -10.052 1.00 0.00 C ATOM 288 O THR A 22 -3.667 -4.787 -10.611 1.00 0.00 O ATOM 289 CB THR A 22 -2.883 -4.213 -8.009 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.907 -3.413 -8.685 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.628 -4.174 -6.510 1.00 0.00 C ATOM 0 H THR A 22 -0.753 -5.812 -8.344 1.00 0.00 H new ATOM 0 HA THR A 22 -3.660 -6.224 -8.101 1.00 0.00 H new ATOM 0 HB THR A 22 -3.878 -3.812 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.008 -3.707 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.667 -3.142 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.390 -4.760 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.644 -4.592 -6.297 1.00 0.00 H new ATOM 299 N LYS A 23 -2.328 -6.592 -10.715 1.00 0.00 N ATOM 300 CA LYS A 23 -2.385 -6.687 -12.169 1.00 0.00 C ATOM 301 C LYS A 23 -3.803 -7.000 -12.639 1.00 0.00 C ATOM 302 O LYS A 23 -4.227 -6.551 -13.702 1.00 0.00 O ATOM 303 CB LYS A 23 -1.422 -7.766 -12.668 1.00 0.00 C ATOM 304 CG LYS A 23 -1.788 -9.167 -12.211 1.00 0.00 C ATOM 305 CD LYS A 23 -0.753 -10.187 -12.656 1.00 0.00 C ATOM 306 CE LYS A 23 -0.841 -11.465 -11.835 1.00 0.00 C ATOM 307 NZ LYS A 23 -0.084 -12.582 -12.464 1.00 0.00 N ATOM 0 H LYS A 23 -1.755 -7.307 -10.268 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.088 -5.723 -12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.397 -7.743 -13.757 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.416 -7.531 -12.321 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.875 -9.185 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.764 -9.439 -12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.900 -10.420 -13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.245 -9.760 -12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.451 -11.281 -10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.886 -11.753 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.169 -13.434 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.472 -12.775 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.918 -12.318 -12.548 1.00 0.00 H new ATOM 321 N ASN A 24 -4.530 -7.771 -11.837 1.00 0.00 N ATOM 322 CA ASN A 24 -5.900 -8.143 -12.171 1.00 0.00 C ATOM 323 C ASN A 24 -6.886 -7.537 -11.176 1.00 0.00 C ATOM 324 O ASN A 24 -7.660 -8.252 -10.540 1.00 0.00 O ATOM 325 CB ASN A 24 -6.048 -9.665 -12.189 1.00 0.00 C ATOM 326 CG ASN A 24 -5.315 -10.303 -13.354 1.00 0.00 C ATOM 327 OD1 ASN A 24 -4.758 -9.610 -14.205 1.00 0.00 O ATOM 328 ND2 ASN A 24 -5.313 -11.630 -13.396 1.00 0.00 N ATOM 0 H ASN A 24 -4.194 -8.150 -10.952 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.124 -7.751 -13.163 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.666 -10.076 -11.254 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.105 -9.924 -12.243 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.836 -12.115 -14.156 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.788 -12.164 -12.668 1.00 0.00 H new ATOM 335 N TYR A 25 -6.851 -6.216 -11.047 1.00 0.00 N ATOM 336 CA TYR A 25 -7.739 -5.513 -10.129 1.00 0.00 C ATOM 337 C TYR A 25 -8.585 -4.483 -10.870 1.00 0.00 C ATOM 338 O TYR A 25 -8.393 -4.247 -12.063 1.00 0.00 O ATOM 339 CB TYR A 25 -6.929 -4.827 -9.027 1.00 0.00 C ATOM 340 CG TYR A 25 -6.531 -5.755 -7.902 1.00 0.00 C ATOM 341 CD1 TYR A 25 -5.888 -6.959 -8.161 1.00 0.00 C ATOM 342 CD2 TYR A 25 -6.797 -5.427 -6.578 1.00 0.00 C ATOM 343 CE1 TYR A 25 -5.523 -7.810 -7.136 1.00 0.00 C ATOM 344 CE2 TYR A 25 -6.435 -6.271 -5.546 1.00 0.00 C ATOM 345 CZ TYR A 25 -5.798 -7.461 -5.830 1.00 0.00 C ATOM 346 OH TYR A 25 -5.435 -8.305 -4.806 1.00 0.00 O ATOM 0 H TYR A 25 -6.217 -5.610 -11.567 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.407 -6.247 -9.677 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.030 -4.394 -9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.513 -4.003 -8.618 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.670 -7.235 -9.182 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.295 -4.496 -6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.025 -8.743 -7.356 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.650 -6.001 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.274 -7.782 -3.993 1.00 0.00 H new ATOM 356 N ARG A 26 -9.523 -3.871 -10.154 1.00 0.00 N ATOM 357 CA ARG A 26 -10.400 -2.866 -10.742 1.00 0.00 C ATOM 358 C ARG A 26 -10.112 -1.485 -10.160 1.00 0.00 C ATOM 359 O ARG A 26 -10.378 -1.227 -8.987 1.00 0.00 O ATOM 360 CB ARG A 26 -11.865 -3.235 -10.506 1.00 0.00 C ATOM 361 CG ARG A 26 -12.821 -2.606 -11.506 1.00 0.00 C ATOM 362 CD ARG A 26 -14.267 -2.955 -11.190 1.00 0.00 C ATOM 363 NE ARG A 26 -14.851 -2.038 -10.215 1.00 0.00 N ATOM 364 CZ ARG A 26 -15.157 -0.774 -10.486 1.00 0.00 C ATOM 365 NH1 ARG A 26 -14.937 -0.280 -11.696 1.00 0.00 N ATOM 366 NH2 ARG A 26 -15.685 -0.001 -9.545 1.00 0.00 N ATOM 0 H ARG A 26 -9.695 -4.054 -9.165 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.208 -2.837 -11.815 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.969 -4.319 -10.549 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.151 -2.927 -9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.697 -1.523 -11.498 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.574 -2.948 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.855 -2.931 -12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.318 -3.974 -10.806 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.034 -2.387 -9.274 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.532 -0.871 -12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.173 0.691 -11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.856 -0.377 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.919 0.969 -9.754 1.00 0.00 H new ATOM 380 N GLY A 27 -9.564 -0.601 -10.989 1.00 0.00 N ATOM 381 CA GLY A 27 -9.248 0.742 -10.539 1.00 0.00 C ATOM 382 C GLY A 27 -7.987 0.790 -9.699 1.00 0.00 C ATOM 383 O GLY A 27 -7.970 1.390 -8.625 1.00 0.00 O ATOM 0 H GLY A 27 -9.333 -0.791 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.129 1.393 -11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.083 1.133 -9.958 1.00 0.00 H new ATOM 387 N VAL A 28 -6.927 0.155 -10.190 1.00 0.00 N ATOM 388 CA VAL A 28 -5.655 0.127 -9.478 1.00 0.00 C ATOM 389 C VAL A 28 -4.501 0.509 -10.398 1.00 0.00 C ATOM 390 O VAL A 28 -3.878 -0.350 -11.021 1.00 0.00 O ATOM 391 CB VAL A 28 -5.379 -1.264 -8.876 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.042 -1.276 -8.151 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.506 -1.673 -7.940 1.00 0.00 C ATOM 0 H VAL A 28 -6.924 -0.347 -11.078 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.728 0.856 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.331 -1.989 -9.688 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.864 -2.267 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.245 -1.030 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.057 -0.540 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.294 -2.658 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.588 -0.947 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.444 -1.707 -8.494 1.00 0.00 H new ATOM 403 N LYS A 29 -4.221 1.806 -10.479 1.00 0.00 N ATOM 404 CA LYS A 29 -3.141 2.304 -11.322 1.00 0.00 C ATOM 405 C LYS A 29 -2.087 3.024 -10.486 1.00 0.00 C ATOM 406 O LYS A 29 -2.204 4.221 -10.221 1.00 0.00 O ATOM 407 CB LYS A 29 -3.694 3.250 -12.389 1.00 0.00 C ATOM 408 CG LYS A 29 -2.789 3.398 -13.600 1.00 0.00 C ATOM 409 CD LYS A 29 -3.389 4.336 -14.634 1.00 0.00 C ATOM 410 CE LYS A 29 -2.336 4.831 -15.615 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.203 3.925 -16.789 1.00 0.00 N ATOM 0 H LYS A 29 -4.728 2.531 -9.971 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.672 1.450 -11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.668 2.885 -12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.854 4.232 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.817 3.777 -13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.619 2.420 -14.050 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.181 3.821 -15.178 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.849 5.187 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.600 5.832 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.375 4.911 -15.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.476 4.296 -17.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.927 2.976 -16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.113 3.869 -17.289 1.00 0.00 H new ATOM 425 N ILE A 30 -1.059 2.288 -10.077 1.00 0.00 N ATOM 426 CA ILE A 30 0.016 2.858 -9.274 1.00 0.00 C ATOM 427 C ILE A 30 0.916 3.754 -10.118 1.00 0.00 C ATOM 428 O ILE A 30 2.084 3.438 -10.350 1.00 0.00 O ATOM 429 CB ILE A 30 0.873 1.759 -8.619 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.019 0.914 -7.671 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.048 2.376 -7.875 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.636 -0.272 -8.343 1.00 0.00 C ATOM 0 H ILE A 30 -0.948 1.296 -10.288 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.455 3.453 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 30 1.265 1.109 -9.402 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.644 0.558 -6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.754 1.545 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.644 1.586 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.666 2.939 -8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.676 3.046 -7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.225 -0.825 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.287 0.078 -9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.132 -0.925 -8.759 1.00 0.00 H new ATOM 444 N THR A 31 0.367 4.875 -10.574 1.00 0.00 N ATOM 445 CA THR A 31 1.120 5.818 -11.392 1.00 0.00 C ATOM 446 C THR A 31 2.002 6.711 -10.528 1.00 0.00 C ATOM 447 O THR A 31 2.951 7.323 -11.019 1.00 0.00 O ATOM 448 CB THR A 31 0.183 6.702 -12.236 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.816 5.894 -12.868 1.00 0.00 O ATOM 450 CG2 THR A 31 0.967 7.466 -13.292 1.00 0.00 C ATOM 0 H THR A 31 -0.597 5.152 -10.391 1.00 0.00 H new ATOM 0 HA THR A 31 1.748 5.228 -12.059 1.00 0.00 H new ATOM 0 HB THR A 31 -0.298 7.420 -11.572 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.409 6.464 -13.401 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.285 8.084 -13.876 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.707 8.102 -12.806 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.472 6.760 -13.951 1.00 0.00 H new ATOM 458 N ASN A 32 1.685 6.782 -9.240 1.00 0.00 N ATOM 459 CA ASN A 32 2.450 7.601 -8.307 1.00 0.00 C ATOM 460 C ASN A 32 2.560 6.919 -6.947 1.00 0.00 C ATOM 461 O ASN A 32 2.041 5.821 -6.747 1.00 0.00 O ATOM 462 CB ASN A 32 1.797 8.976 -8.150 1.00 0.00 C ATOM 463 CG ASN A 32 1.218 9.494 -9.452 1.00 0.00 C ATOM 464 OD1 ASN A 32 1.875 9.461 -10.493 1.00 0.00 O ATOM 465 ND2 ASN A 32 -0.018 9.976 -9.399 1.00 0.00 N ATOM 0 H ASN A 32 0.903 6.282 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 32 3.454 7.727 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.006 8.916 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.536 9.685 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.461 10.339 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.525 9.983 -8.514 1.00 0.00 H new ATOM 472 N PHE A 33 3.240 7.578 -6.014 1.00 0.00 N ATOM 473 CA PHE A 33 3.419 7.035 -4.673 1.00 0.00 C ATOM 474 C PHE A 33 2.929 8.022 -3.617 1.00 0.00 C ATOM 475 O PHE A 33 3.337 7.962 -2.457 1.00 0.00 O ATOM 476 CB PHE A 33 4.891 6.699 -4.428 1.00 0.00 C ATOM 477 CG PHE A 33 5.295 5.353 -4.959 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.832 4.191 -4.361 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.136 5.249 -6.055 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.203 2.951 -4.847 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.509 4.012 -6.545 1.00 0.00 C ATOM 482 CZ PHE A 33 6.041 2.861 -5.941 1.00 0.00 C ATOM 0 H PHE A 33 3.676 8.488 -6.162 1.00 0.00 H new ATOM 0 HA PHE A 33 2.827 6.123 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.512 7.465 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.090 6.733 -3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.175 4.255 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.504 6.145 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.838 2.053 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.166 3.945 -7.400 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.330 1.893 -6.323 1.00 0.00 H new ATOM 492 N THR A 34 2.051 8.932 -4.028 1.00 0.00 N ATOM 493 CA THR A 34 1.506 9.933 -3.120 1.00 0.00 C ATOM 494 C THR A 34 -0.018 9.930 -3.148 1.00 0.00 C ATOM 495 O THR A 34 -0.667 9.510 -2.189 1.00 0.00 O ATOM 496 CB THR A 34 2.011 11.345 -3.472 1.00 0.00 C ATOM 497 OG1 THR A 34 1.780 11.617 -4.859 1.00 0.00 O ATOM 498 CG2 THR A 34 3.495 11.481 -3.165 1.00 0.00 C ATOM 0 H THR A 34 1.702 8.996 -4.984 1.00 0.00 H new ATOM 0 HA THR A 34 1.849 9.671 -2.119 1.00 0.00 H new ATOM 0 HB THR A 34 1.462 12.065 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.102 12.517 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.829 12.486 -3.422 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.665 11.302 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.056 10.752 -3.750 1.00 0.00 H new ATOM 506 N THR A 35 -0.586 10.399 -4.255 1.00 0.00 N ATOM 507 CA THR A 35 -2.035 10.450 -4.408 1.00 0.00 C ATOM 508 C THR A 35 -2.609 9.063 -4.669 1.00 0.00 C ATOM 509 O THR A 35 -3.602 8.667 -4.058 1.00 0.00 O ATOM 510 CB THR A 35 -2.445 11.388 -5.559 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.991 10.858 -6.809 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.868 12.781 -5.354 1.00 0.00 C ATOM 0 H THR A 35 -0.065 10.749 -5.059 1.00 0.00 H new ATOM 0 HA THR A 35 -2.439 10.837 -3.472 1.00 0.00 H new ATOM 0 HB THR A 35 -3.533 11.460 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.257 11.460 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.171 13.425 -6.179 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.239 13.194 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.780 12.723 -5.320 1.00 0.00 H new ATOM 520 N SER A 36 -1.979 8.328 -5.579 1.00 0.00 N ATOM 521 CA SER A 36 -2.430 6.984 -5.923 1.00 0.00 C ATOM 522 C SER A 36 -2.755 6.182 -4.667 1.00 0.00 C ATOM 523 O SER A 36 -3.557 5.249 -4.704 1.00 0.00 O ATOM 524 CB SER A 36 -1.362 6.259 -6.743 1.00 0.00 C ATOM 525 OG SER A 36 -1.540 6.488 -8.130 1.00 0.00 O ATOM 0 H SER A 36 -1.154 8.640 -6.092 1.00 0.00 H new ATOM 0 HA SER A 36 -3.337 7.074 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.372 6.600 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.407 5.189 -6.539 1.00 0.00 H new ATOM 0 HG SER A 36 -1.752 5.642 -8.577 1.00 0.00 H new ATOM 531 N TRP A 37 -2.127 6.553 -3.557 1.00 0.00 N ATOM 532 CA TRP A 37 -2.348 5.868 -2.289 1.00 0.00 C ATOM 533 C TRP A 37 -3.188 6.724 -1.348 1.00 0.00 C ATOM 534 O TRP A 37 -3.859 6.206 -0.454 1.00 0.00 O ATOM 535 CB TRP A 37 -1.011 5.527 -1.630 1.00 0.00 C ATOM 536 CG TRP A 37 -0.087 4.756 -2.524 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.760 5.269 -3.465 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.079 3.335 -2.563 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.444 4.252 -4.086 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.045 3.056 -3.551 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.491 2.271 -1.859 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.449 1.757 -3.850 1.00 0.00 C ATOM 543 CZ3 TRP A 37 -0.089 0.983 -2.158 1.00 0.00 C ATOM 544 CH2 TRP A 37 0.874 0.735 -3.145 1.00 0.00 C ATOM 0 H TRP A 37 -1.461 7.324 -3.510 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.890 4.945 -2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.520 6.450 -1.322 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.197 4.948 -0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.875 6.319 -3.688 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.137 4.369 -4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.232 2.452 -1.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.190 1.563 -4.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.525 0.153 -1.621 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.168 -0.283 -3.353 1.00 0.00 H new ATOM 555 N ARG A 38 -3.149 8.037 -1.554 1.00 0.00 N ATOM 556 CA ARG A 38 -3.906 8.964 -0.722 1.00 0.00 C ATOM 557 C ARG A 38 -5.260 8.371 -0.341 1.00 0.00 C ATOM 558 O ARG A 38 -5.613 8.311 0.836 1.00 0.00 O ATOM 559 CB ARG A 38 -4.107 10.292 -1.455 1.00 0.00 C ATOM 560 CG ARG A 38 -5.171 11.179 -0.828 1.00 0.00 C ATOM 561 CD ARG A 38 -5.011 12.629 -1.257 1.00 0.00 C ATOM 562 NE ARG A 38 -5.738 12.918 -2.491 1.00 0.00 N ATOM 563 CZ ARG A 38 -7.028 13.231 -2.527 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.730 13.296 -1.404 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.619 13.481 -3.688 1.00 0.00 N ATOM 0 H ARG A 38 -2.601 8.482 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.337 9.142 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.161 10.833 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.380 10.088 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.160 10.821 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.109 11.111 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.370 13.284 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.953 12.850 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.227 12.877 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.279 13.105 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.721 13.537 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.083 13.433 -4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.610 13.721 -3.715 1.00 0.00 H new ATOM 579 N ASN A 39 -6.013 7.935 -1.346 1.00 0.00 N ATOM 580 CA ASN A 39 -7.328 7.348 -1.116 1.00 0.00 C ATOM 581 C ASN A 39 -7.220 6.087 -0.265 1.00 0.00 C ATOM 582 O ASN A 39 -8.015 5.872 0.649 1.00 0.00 O ATOM 583 CB ASN A 39 -8.003 7.020 -2.450 1.00 0.00 C ATOM 584 CG ASN A 39 -7.009 6.586 -3.509 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.877 6.215 -3.200 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.430 6.630 -4.768 1.00 0.00 N ATOM 0 H ASN A 39 -5.735 7.977 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.935 8.077 -0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.737 6.228 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.547 7.896 -2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.806 6.349 -5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.377 6.944 -4.978 1.00 0.00 H new ATOM 593 N GLY A 40 -6.228 5.256 -0.571 1.00 0.00 N ATOM 594 CA GLY A 40 -6.033 4.027 0.175 1.00 0.00 C ATOM 595 C GLY A 40 -6.504 2.804 -0.588 1.00 0.00 C ATOM 596 O GLY A 40 -6.986 1.839 0.007 1.00 0.00 O ATOM 0 H GLY A 40 -5.556 5.412 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.976 3.916 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.571 4.091 1.121 1.00 0.00 H new ATOM 600 N LEU A 41 -6.366 2.844 -1.908 1.00 0.00 N ATOM 601 CA LEU A 41 -6.782 1.731 -2.755 1.00 0.00 C ATOM 602 C LEU A 41 -5.663 0.704 -2.893 1.00 0.00 C ATOM 603 O LEU A 41 -5.785 -0.429 -2.427 1.00 0.00 O ATOM 604 CB LEU A 41 -7.195 2.242 -4.136 1.00 0.00 C ATOM 605 CG LEU A 41 -8.478 3.072 -4.189 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.777 3.503 -5.616 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.646 2.286 -3.611 1.00 0.00 C ATOM 0 H LEU A 41 -5.969 3.635 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.637 1.247 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.380 2.844 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.313 1.384 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.334 3.967 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.694 4.093 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.951 4.105 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.901 2.621 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.551 2.892 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.791 1.373 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.434 2.029 -2.573 1.00 0.00 H new ATOM 619 N SER A 42 -4.572 1.108 -3.536 1.00 0.00 N ATOM 620 CA SER A 42 -3.431 0.223 -3.738 1.00 0.00 C ATOM 621 C SER A 42 -3.022 -0.443 -2.427 1.00 0.00 C ATOM 622 O SER A 42 -2.466 -1.541 -2.423 1.00 0.00 O ATOM 623 CB SER A 42 -2.249 1.003 -4.317 1.00 0.00 C ATOM 624 OG SER A 42 -2.516 1.422 -5.644 1.00 0.00 O ATOM 0 H SER A 42 -4.454 2.043 -3.926 1.00 0.00 H new ATOM 0 HA SER A 42 -3.725 -0.553 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.042 1.872 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.355 0.379 -4.302 1.00 0.00 H new ATOM 0 HG SER A 42 -2.146 2.319 -5.785 1.00 0.00 H new ATOM 630 N PHE A 43 -3.302 0.230 -1.316 1.00 0.00 N ATOM 631 CA PHE A 43 -2.963 -0.295 0.001 1.00 0.00 C ATOM 632 C PHE A 43 -3.833 -1.499 0.348 1.00 0.00 C ATOM 633 O PHE A 43 -3.330 -2.542 0.768 1.00 0.00 O ATOM 634 CB PHE A 43 -3.130 0.792 1.065 1.00 0.00 C ATOM 635 CG PHE A 43 -1.888 1.605 1.292 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.672 0.985 1.528 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.936 2.990 1.270 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.473 1.730 1.738 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.795 3.741 1.479 1.00 0.00 C ATOM 640 CZ PHE A 43 0.412 3.110 1.712 1.00 0.00 C ATOM 0 H PHE A 43 -3.763 1.140 -1.302 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.922 -0.616 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.941 1.457 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.427 0.327 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.618 -0.093 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.877 3.488 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.414 1.234 1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.847 4.820 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.306 3.694 1.873 1.00 0.00 H new ATOM 650 N CYS A 44 -5.141 -1.347 0.169 1.00 0.00 N ATOM 651 CA CYS A 44 -6.083 -2.421 0.464 1.00 0.00 C ATOM 652 C CYS A 44 -5.982 -3.533 -0.576 1.00 0.00 C ATOM 653 O CYS A 44 -6.036 -4.716 -0.241 1.00 0.00 O ATOM 654 CB CYS A 44 -7.511 -1.877 0.509 1.00 0.00 C ATOM 655 SG CYS A 44 -7.912 -0.982 2.029 1.00 0.00 S ATOM 0 H CYS A 44 -5.573 -0.491 -0.179 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.829 -2.836 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.662 -1.213 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.208 -2.707 0.394 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.407 0.215 1.974 1.00 0.00 H new ATOM 661 N ALA A 45 -5.837 -3.144 -1.838 1.00 0.00 N ATOM 662 CA ALA A 45 -5.729 -4.107 -2.927 1.00 0.00 C ATOM 663 C ALA A 45 -4.661 -5.155 -2.628 1.00 0.00 C ATOM 664 O ALA A 45 -4.932 -6.356 -2.657 1.00 0.00 O ATOM 665 CB ALA A 45 -5.419 -3.394 -4.234 1.00 0.00 C ATOM 0 H ALA A 45 -5.792 -2.168 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.687 -4.618 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.341 -4.126 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.218 -2.688 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.475 -2.856 -4.140 1.00 0.00 H new ATOM 671 N ILE A 46 -3.449 -4.693 -2.343 1.00 0.00 N ATOM 672 CA ILE A 46 -2.342 -5.591 -2.039 1.00 0.00 C ATOM 673 C ILE A 46 -2.748 -6.635 -1.004 1.00 0.00 C ATOM 674 O ILE A 46 -2.798 -7.830 -1.298 1.00 0.00 O ATOM 675 CB ILE A 46 -1.116 -4.817 -1.517 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.464 -4.026 -2.653 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.115 -5.774 -0.887 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.307 -2.814 -2.180 1.00 0.00 C ATOM 0 H ILE A 46 -3.208 -3.702 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.077 -6.091 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.446 -4.113 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.210 -4.683 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.237 -3.705 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.746 -5.213 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.586 -6.297 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.213 -6.499 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.742 -2.302 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.367 -2.136 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.102 -3.129 -1.505 1.00 0.00 H new ATOM 690 N LEU A 47 -3.040 -6.175 0.208 1.00 0.00 N ATOM 691 CA LEU A 47 -3.445 -7.069 1.287 1.00 0.00 C ATOM 692 C LEU A 47 -4.570 -7.994 0.835 1.00 0.00 C ATOM 693 O LEU A 47 -4.730 -9.097 1.360 1.00 0.00 O ATOM 694 CB LEU A 47 -3.893 -6.259 2.505 1.00 0.00 C ATOM 695 CG LEU A 47 -4.170 -7.059 3.778 1.00 0.00 C ATOM 696 CD1 LEU A 47 -2.903 -7.746 4.263 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.738 -6.156 4.863 1.00 0.00 C ATOM 0 H LEU A 47 -3.004 -5.189 0.468 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.585 -7.681 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.125 -5.518 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.798 -5.712 2.240 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.909 -7.826 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.120 -8.311 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.539 -8.424 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.141 -6.996 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.929 -6.743 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.022 -5.366 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.670 -5.711 4.515 1.00 0.00 H new ATOM 709 N HIS A 48 -5.347 -7.539 -0.142 1.00 0.00 N ATOM 710 CA HIS A 48 -6.457 -8.327 -0.667 1.00 0.00 C ATOM 711 C HIS A 48 -5.947 -9.461 -1.552 1.00 0.00 C ATOM 712 O HIS A 48 -6.503 -10.559 -1.552 1.00 0.00 O ATOM 713 CB HIS A 48 -7.412 -7.436 -1.461 1.00 0.00 C ATOM 714 CG HIS A 48 -8.751 -8.061 -1.705 1.00 0.00 C ATOM 715 ND1 HIS A 48 -9.011 -8.890 -2.775 1.00 0.00 N ATOM 716 CD2 HIS A 48 -9.909 -7.975 -1.008 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.270 -9.286 -2.727 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.837 -8.745 -1.664 1.00 0.00 N ATOM 0 H HIS A 48 -5.229 -6.629 -0.587 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.994 -8.761 0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.551 -6.497 -0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.955 -7.191 -2.420 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.072 -7.406 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.754 -9.941 -3.437 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.807 -8.878 -1.377 1.00 0.00 H new ATOM 727 N HIS A 49 -4.886 -9.186 -2.304 1.00 0.00 N ATOM 728 CA HIS A 49 -4.301 -10.184 -3.194 1.00 0.00 C ATOM 729 C HIS A 49 -4.052 -11.494 -2.452 1.00 0.00 C ATOM 730 O HIS A 49 -4.527 -12.552 -2.864 1.00 0.00 O ATOM 731 CB HIS A 49 -2.992 -9.663 -3.788 1.00 0.00 C ATOM 732 CG HIS A 49 -2.582 -10.368 -5.044 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.472 -10.711 -6.040 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.368 -10.794 -5.464 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.824 -11.318 -7.017 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.545 -11.381 -6.693 1.00 0.00 N ATOM 0 H HIS A 49 -4.414 -8.282 -2.315 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.007 -10.374 -4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.095 -8.598 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.199 -9.767 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.434 -10.691 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.265 -11.698 -7.927 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.809 -11.798 -7.263 1.00 0.00 H new ATOM 745 N PHE A 50 -3.303 -11.415 -1.357 1.00 0.00 N ATOM 746 CA PHE A 50 -2.989 -12.594 -0.559 1.00 0.00 C ATOM 747 C PHE A 50 -4.214 -13.067 0.217 1.00 0.00 C ATOM 748 O PHE A 50 -4.498 -14.264 0.281 1.00 0.00 O ATOM 749 CB PHE A 50 -1.844 -12.291 0.409 1.00 0.00 C ATOM 750 CG PHE A 50 -0.697 -11.560 -0.229 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.691 -10.176 -0.297 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.376 -12.258 -0.760 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.362 -9.502 -0.884 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.433 -11.589 -1.348 1.00 0.00 C ATOM 755 CZ PHE A 50 1.427 -10.209 -1.409 1.00 0.00 C ATOM 0 H PHE A 50 -2.902 -10.547 -1.002 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.681 -13.389 -1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.227 -11.696 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.478 -13.227 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.519 -9.618 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.386 -13.337 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.353 -8.423 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.263 -12.145 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.253 -9.684 -1.866 1.00 0.00 H new ATOM 765 N ARG A 51 -4.937 -12.120 0.805 1.00 0.00 N ATOM 766 CA ARG A 51 -6.131 -12.439 1.579 1.00 0.00 C ATOM 767 C ARG A 51 -7.275 -11.492 1.230 1.00 0.00 C ATOM 768 O ARG A 51 -7.408 -10.405 1.793 1.00 0.00 O ATOM 769 CB ARG A 51 -5.830 -12.362 3.077 1.00 0.00 C ATOM 770 CG ARG A 51 -5.462 -13.702 3.694 1.00 0.00 C ATOM 771 CD ARG A 51 -6.687 -14.422 4.233 1.00 0.00 C ATOM 772 NE ARG A 51 -7.583 -14.855 3.164 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.285 -15.819 2.301 1.00 0.00 C ATOM 774 NH1 ARG A 51 -6.121 -16.449 2.381 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.153 -16.156 1.355 1.00 0.00 N ATOM 0 H ARG A 51 -4.717 -11.125 0.760 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.434 -13.455 1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.012 -11.660 3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.702 -11.961 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.972 -14.326 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.745 -13.548 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.371 -15.288 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.226 -13.761 4.912 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.487 -14.391 3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.452 -16.193 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.895 -17.189 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.050 -15.674 1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.923 -16.897 0.692 1.00 0.00 H new ATOM 789 N PRO A 52 -8.121 -11.911 0.277 1.00 0.00 N ATOM 790 CA PRO A 52 -9.268 -11.114 -0.169 1.00 0.00 C ATOM 791 C PRO A 52 -10.357 -11.020 0.894 1.00 0.00 C ATOM 792 O PRO A 52 -11.416 -10.438 0.662 1.00 0.00 O ATOM 793 CB PRO A 52 -9.779 -11.882 -1.391 1.00 0.00 C ATOM 794 CG PRO A 52 -9.334 -13.286 -1.170 1.00 0.00 C ATOM 795 CD PRO A 52 -8.023 -13.194 -0.438 1.00 0.00 C ATOM 0 HA PRO A 52 -8.989 -10.082 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.864 -11.819 -1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.366 -11.477 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.069 -13.841 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.216 -13.812 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.888 -14.028 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.177 -13.207 -1.125 1.00 0.00 H new ATOM 803 N ASP A 53 -10.089 -11.597 2.061 1.00 0.00 N ATOM 804 CA ASP A 53 -11.046 -11.576 3.161 1.00 0.00 C ATOM 805 C ASP A 53 -10.572 -10.651 4.277 1.00 0.00 C ATOM 806 O ASP A 53 -11.379 -10.085 5.015 1.00 0.00 O ATOM 807 CB ASP A 53 -11.257 -12.989 3.708 1.00 0.00 C ATOM 808 CG ASP A 53 -12.552 -13.121 4.486 1.00 0.00 C ATOM 809 OD1 ASP A 53 -12.765 -12.323 5.423 1.00 0.00 O ATOM 810 OD2 ASP A 53 -13.351 -14.022 4.159 1.00 0.00 O ATOM 0 H ASP A 53 -9.218 -12.085 2.269 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.994 -11.197 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.259 -13.699 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.420 -13.254 4.354 1.00 0.00 H new ATOM 815 N LEU A 54 -9.257 -10.503 4.397 1.00 0.00 N ATOM 816 CA LEU A 54 -8.673 -9.647 5.424 1.00 0.00 C ATOM 817 C LEU A 54 -9.269 -8.244 5.367 1.00 0.00 C ATOM 818 O LEU A 54 -9.443 -7.591 6.396 1.00 0.00 O ATOM 819 CB LEU A 54 -7.155 -9.576 5.255 1.00 0.00 C ATOM 820 CG LEU A 54 -6.346 -10.638 6.000 1.00 0.00 C ATOM 821 CD1 LEU A 54 -4.863 -10.493 5.692 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.593 -10.544 7.498 1.00 0.00 C ATOM 0 H LEU A 54 -8.575 -10.965 3.796 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.904 -10.081 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.924 -9.651 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.818 -8.593 5.586 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.673 -11.621 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.303 -11.257 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.701 -10.612 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.522 -9.506 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.009 -11.308 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.295 -9.558 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.652 -10.699 7.703 1.00 0.00 H new ATOM 834 N ILE A 55 -9.583 -7.789 4.159 1.00 0.00 N ATOM 835 CA ILE A 55 -10.163 -6.465 3.969 1.00 0.00 C ATOM 836 C ILE A 55 -11.505 -6.551 3.250 1.00 0.00 C ATOM 837 O ILE A 55 -11.991 -7.642 2.950 1.00 0.00 O ATOM 838 CB ILE A 55 -9.221 -5.548 3.166 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.764 -5.963 3.381 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.428 -4.095 3.567 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.270 -6.979 2.375 1.00 0.00 C ATOM 0 H ILE A 55 -9.446 -8.317 3.297 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.312 -6.040 4.962 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.455 -5.649 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.131 -5.077 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.656 -6.375 4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.755 -3.459 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.460 -3.806 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.217 -3.977 4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.230 -7.226 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.878 -7.881 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.345 -6.563 1.370 1.00 0.00 H new ATOM 853 N ASP A 56 -12.097 -5.394 2.974 1.00 0.00 N ATOM 854 CA ASP A 56 -13.382 -5.338 2.288 1.00 0.00 C ATOM 855 C ASP A 56 -13.240 -4.668 0.924 1.00 0.00 C ATOM 856 O ASP A 56 -14.190 -4.076 0.411 1.00 0.00 O ATOM 857 CB ASP A 56 -14.406 -4.583 3.137 1.00 0.00 C ATOM 858 CG ASP A 56 -15.826 -4.785 2.647 1.00 0.00 C ATOM 859 OD1 ASP A 56 -16.231 -5.952 2.469 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.532 -3.775 2.441 1.00 0.00 O ATOM 0 H ASP A 56 -11.707 -4.483 3.215 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.731 -6.360 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.331 -4.916 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.169 -3.519 3.126 1.00 0.00 H new ATOM 865 N TYR A 57 -12.050 -4.766 0.344 1.00 0.00 N ATOM 866 CA TYR A 57 -11.783 -4.167 -0.958 1.00 0.00 C ATOM 867 C TYR A 57 -12.800 -4.637 -1.993 1.00 0.00 C ATOM 868 O TYR A 57 -12.993 -3.997 -3.027 1.00 0.00 O ATOM 869 CB TYR A 57 -10.367 -4.515 -1.423 1.00 0.00 C ATOM 870 CG TYR A 57 -9.924 -3.742 -2.644 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.453 -4.022 -3.898 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.975 -2.731 -2.544 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.049 -3.318 -5.017 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.567 -2.022 -3.657 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.107 -2.319 -4.891 1.00 0.00 C ATOM 876 OH TYR A 57 -8.703 -1.616 -6.002 1.00 0.00 O ATOM 0 H TYR A 57 -11.254 -5.255 0.755 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.869 -3.085 -0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.669 -4.323 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.317 -5.582 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.192 -4.803 -4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.550 -2.496 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.469 -3.549 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.829 -1.239 -3.562 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.229 -0.806 -5.722 1.00 0.00 H new ATOM 886 N LYS A 58 -13.449 -5.760 -1.707 1.00 0.00 N ATOM 887 CA LYS A 58 -14.449 -6.318 -2.610 1.00 0.00 C ATOM 888 C LYS A 58 -15.635 -5.370 -2.761 1.00 0.00 C ATOM 889 O LYS A 58 -16.360 -5.422 -3.754 1.00 0.00 O ATOM 890 CB LYS A 58 -14.930 -7.676 -2.095 1.00 0.00 C ATOM 891 CG LYS A 58 -15.756 -7.586 -0.823 1.00 0.00 C ATOM 892 CD LYS A 58 -15.724 -8.891 -0.044 1.00 0.00 C ATOM 893 CE LYS A 58 -16.810 -9.847 -0.514 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.806 -11.116 0.265 1.00 0.00 N ATOM 0 H LYS A 58 -13.300 -6.302 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.986 -6.451 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.524 -8.160 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.065 -8.313 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.376 -6.778 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.787 -7.336 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.748 -9.362 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.854 -8.685 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.783 -9.366 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.666 -10.069 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.560 -11.741 -0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.886 -11.588 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.969 -10.907 1.271 1.00 0.00 H new ATOM 908 N SER A 59 -15.825 -4.505 -1.770 1.00 0.00 N ATOM 909 CA SER A 59 -16.924 -3.547 -1.792 1.00 0.00 C ATOM 910 C SER A 59 -16.441 -2.156 -1.392 1.00 0.00 C ATOM 911 O SER A 59 -17.193 -1.365 -0.822 1.00 0.00 O ATOM 912 CB SER A 59 -18.042 -4.000 -0.852 1.00 0.00 C ATOM 913 OG SER A 59 -19.202 -3.204 -1.018 1.00 0.00 O ATOM 0 H SER A 59 -15.232 -4.448 -0.942 1.00 0.00 H new ATOM 0 HA SER A 59 -17.311 -3.500 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.283 -5.045 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.700 -3.939 0.181 1.00 0.00 H new ATOM 0 HG SER A 59 -18.956 -2.256 -0.981 1.00 0.00 H new ATOM 919 N LEU A 60 -15.180 -1.865 -1.696 1.00 0.00 N ATOM 920 CA LEU A 60 -14.595 -0.570 -1.369 1.00 0.00 C ATOM 921 C LEU A 60 -14.750 0.407 -2.530 1.00 0.00 C ATOM 922 O LEU A 60 -15.390 0.096 -3.534 1.00 0.00 O ATOM 923 CB LEU A 60 -13.114 -0.731 -1.018 1.00 0.00 C ATOM 924 CG LEU A 60 -12.807 -1.163 0.416 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.335 -0.954 0.733 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.681 -0.400 1.401 1.00 0.00 C ATOM 0 H LEU A 60 -14.544 -2.508 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.125 -0.167 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.678 -1.463 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.612 0.218 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.030 -2.226 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.136 -1.267 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.728 -1.546 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.085 0.101 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.449 -0.720 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.490 0.669 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.731 -0.602 1.188 1.00 0.00 H new ATOM 938 N ASN A 61 -14.159 1.589 -2.386 1.00 0.00 N ATOM 939 CA ASN A 61 -14.231 2.611 -3.423 1.00 0.00 C ATOM 940 C ASN A 61 -13.338 3.799 -3.079 1.00 0.00 C ATOM 941 O ASN A 61 -12.965 4.014 -1.926 1.00 0.00 O ATOM 942 CB ASN A 61 -15.675 3.081 -3.606 1.00 0.00 C ATOM 943 CG ASN A 61 -16.459 2.188 -4.549 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.572 1.764 -4.239 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.879 1.898 -5.708 1.00 0.00 N ATOM 0 H ASN A 61 -13.625 1.862 -1.561 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.878 2.172 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.172 3.106 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.676 4.101 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.358 1.302 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.955 2.272 -5.923 1.00 0.00 H new ATOM 952 N PRO A 62 -12.986 4.591 -4.103 1.00 0.00 N ATOM 953 CA PRO A 62 -12.133 5.771 -3.935 1.00 0.00 C ATOM 954 C PRO A 62 -12.839 6.894 -3.181 1.00 0.00 C ATOM 955 O PRO A 62 -12.287 7.979 -3.008 1.00 0.00 O ATOM 956 CB PRO A 62 -11.832 6.200 -5.373 1.00 0.00 C ATOM 957 CG PRO A 62 -12.975 5.676 -6.172 1.00 0.00 C ATOM 958 CD PRO A 62 -13.394 4.395 -5.505 1.00 0.00 C ATOM 0 HA PRO A 62 -11.242 5.549 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.756 7.284 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.885 5.787 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.797 6.392 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.680 5.499 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.468 4.229 -5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.901 3.530 -5.950 1.00 0.00 H new ATOM 966 N GLN A 63 -14.062 6.623 -2.736 1.00 0.00 N ATOM 967 CA GLN A 63 -14.843 7.612 -2.002 1.00 0.00 C ATOM 968 C GLN A 63 -14.424 7.657 -0.536 1.00 0.00 C ATOM 969 O GLN A 63 -14.897 8.497 0.230 1.00 0.00 O ATOM 970 CB GLN A 63 -16.336 7.295 -2.108 1.00 0.00 C ATOM 971 CG GLN A 63 -16.683 5.865 -1.726 1.00 0.00 C ATOM 972 CD GLN A 63 -16.179 5.491 -0.346 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.374 6.229 0.620 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.527 4.338 -0.246 1.00 0.00 N ATOM 0 H GLN A 63 -14.533 5.728 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.654 8.589 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.891 7.979 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.666 7.480 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.765 5.736 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.257 5.183 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.388 3.757 -1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.165 4.033 0.658 1.00 0.00 H new ATOM 983 N ASP A 64 -13.534 6.748 -0.152 1.00 0.00 N ATOM 984 CA ASP A 64 -13.051 6.684 1.222 1.00 0.00 C ATOM 985 C ASP A 64 -11.538 6.874 1.275 1.00 0.00 C ATOM 986 O ASP A 64 -10.780 6.033 0.792 1.00 0.00 O ATOM 987 CB ASP A 64 -13.432 5.346 1.858 1.00 0.00 C ATOM 988 CG ASP A 64 -14.811 5.375 2.487 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.183 6.424 3.053 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.519 4.349 2.412 1.00 0.00 O ATOM 0 H ASP A 64 -13.133 6.046 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.521 7.491 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.398 4.564 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.695 5.085 2.618 1.00 0.00 H new ATOM 995 N ILE A 65 -11.107 7.984 1.864 1.00 0.00 N ATOM 996 CA ILE A 65 -9.685 8.284 1.980 1.00 0.00 C ATOM 997 C ILE A 65 -9.150 7.890 3.353 1.00 0.00 C ATOM 998 O ILE A 65 -8.101 7.256 3.464 1.00 0.00 O ATOM 999 CB ILE A 65 -9.404 9.780 1.742 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.893 10.198 0.354 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.919 10.071 1.897 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.428 11.577 -0.060 1.00 0.00 C ATOM 0 H ILE A 65 -11.722 8.690 2.268 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.176 7.700 1.213 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.947 10.360 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.545 9.471 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.983 10.171 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.736 11.132 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.600 9.806 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.356 9.484 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.812 11.807 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.798 12.315 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.338 11.604 -0.077 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.880 8.269 4.397 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.482 7.953 5.764 1.00 0.00 C ATOM 1016 C LYS A 66 -9.738 6.483 6.079 1.00 0.00 C ATOM 1017 O LYS A 66 -8.866 5.791 6.603 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.240 8.838 6.755 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.590 8.912 8.126 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.883 10.235 8.812 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.231 10.212 9.516 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.599 11.551 10.054 1.00 0.00 N ATOM 0 H LYS A 66 -10.750 8.795 4.322 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.413 8.146 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.318 9.845 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.256 8.459 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.952 8.092 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.512 8.784 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.097 10.453 9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.870 11.039 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.999 9.877 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.203 9.489 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.524 11.493 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.879 11.860 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.651 12.236 9.274 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.939 6.014 5.755 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.308 4.625 6.004 1.00 0.00 C ATOM 1038 C GLU A 67 -10.399 3.673 5.233 1.00 0.00 C ATOM 1039 O GLU A 67 -9.631 2.916 5.824 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.768 4.384 5.611 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.236 2.959 5.855 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.514 2.630 5.109 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.348 3.543 4.930 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -14.681 1.461 4.704 1.00 0.00 O ATOM 0 H GLU A 67 -11.672 6.574 5.320 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.188 4.430 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.404 5.068 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.896 4.624 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.452 2.266 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.394 2.810 6.923 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.493 3.718 3.907 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.679 2.860 3.054 1.00 0.00 C ATOM 1053 C ASN A 68 -8.294 2.648 3.657 1.00 0.00 C ATOM 1054 O ASN A 68 -7.864 1.515 3.867 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.552 3.468 1.656 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.759 3.177 0.786 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.805 2.752 1.278 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.620 3.404 -0.515 1.00 0.00 N ATOM 0 H ASN A 68 -11.124 4.339 3.401 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.174 1.892 2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.422 4.547 1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.657 3.077 1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.398 3.226 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.735 3.756 -0.879 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.601 3.748 3.935 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.264 3.683 4.514 1.00 0.00 C ATOM 1067 C ASN A 69 -6.295 2.998 5.877 1.00 0.00 C ATOM 1068 O ASN A 69 -5.472 2.129 6.166 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.676 5.089 4.650 1.00 0.00 C ATOM 1070 CG ASN A 69 -5.064 5.588 3.356 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.843 5.640 3.213 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.913 5.958 2.404 1.00 0.00 N ATOM 0 H ASN A 69 -7.943 4.694 3.769 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.633 3.096 3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.459 5.778 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.916 5.088 5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.560 6.302 1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.918 5.898 2.566 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.250 3.395 6.711 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.390 2.820 8.044 1.00 0.00 C ATOM 1081 C LYS A 70 -7.515 1.301 7.970 1.00 0.00 C ATOM 1082 O LYS A 70 -6.974 0.582 8.810 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.614 3.409 8.750 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.888 2.790 10.109 1.00 0.00 C ATOM 1085 CD LYS A 70 -7.949 3.339 11.171 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.281 2.785 12.548 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.580 3.306 13.058 1.00 0.00 N ATOM 0 H LYS A 70 -7.939 4.113 6.487 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.495 3.067 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.471 4.483 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.490 3.273 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.920 2.987 10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.775 1.708 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.920 3.086 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.015 4.427 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.319 1.697 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.486 3.047 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.675 3.073 14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.612 4.338 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.361 2.871 12.527 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.230 0.819 6.959 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.424 -0.614 6.773 1.00 0.00 C ATOM 1103 C LYS A 71 -7.087 -1.349 6.778 1.00 0.00 C ATOM 1104 O LYS A 71 -6.888 -2.289 7.547 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.161 -0.883 5.460 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.577 -0.332 5.433 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.485 -1.171 4.549 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.924 -1.140 5.040 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.202 -2.234 6.012 1.00 0.00 N ATOM 0 H LYS A 71 -8.685 1.401 6.255 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.026 -0.985 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.594 -0.445 4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.195 -1.958 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.978 -0.306 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.562 0.695 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.441 -0.801 3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.127 -2.201 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.127 -0.177 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.600 -1.229 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.193 -2.179 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.033 -3.154 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.575 -2.134 6.836 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.174 -0.913 5.916 1.00 0.00 N ATOM 1124 CA ALA A 72 -4.856 -1.527 5.824 1.00 0.00 C ATOM 1125 C ALA A 72 -4.131 -1.475 7.165 1.00 0.00 C ATOM 1126 O ALA A 72 -3.851 -2.510 7.771 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.028 -0.841 4.748 1.00 0.00 C ATOM 0 H ALA A 72 -6.324 -0.137 5.272 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.989 -2.574 5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.046 -1.310 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.532 -0.935 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.912 0.214 4.995 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.829 -0.265 7.622 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.134 -0.079 8.890 1.00 0.00 C ATOM 1135 C TYR A 73 -3.613 -1.091 9.928 1.00 0.00 C ATOM 1136 O TYR A 73 -2.867 -1.470 10.831 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.351 1.343 9.411 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.981 2.416 8.412 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.862 2.281 7.600 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.751 3.565 8.280 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.520 3.259 6.686 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.417 4.548 7.368 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.301 4.390 6.574 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.964 5.367 5.665 1.00 0.00 O ATOM 0 H TYR A 73 -4.055 0.601 7.133 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.069 -0.238 8.718 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.398 1.463 9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.762 1.483 10.317 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.249 1.396 7.685 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.626 3.692 8.901 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.646 3.138 6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.027 5.435 7.278 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.606 5.360 4.925 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.861 -1.523 9.790 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.440 -2.492 10.713 1.00 0.00 C ATOM 1156 C ASP A 74 -5.103 -3.918 10.287 1.00 0.00 C ATOM 1157 O ASP A 74 -4.782 -4.766 11.119 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.958 -2.314 10.787 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.601 -3.246 11.795 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.700 -2.861 12.979 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.005 -4.360 11.401 1.00 0.00 O ATOM 0 H ASP A 74 -5.491 -1.218 9.048 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.012 -2.316 11.700 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.187 -1.282 11.053 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.391 -2.494 9.803 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.179 -4.175 8.985 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.880 -5.499 8.471 1.00 0.00 C ATOM 1168 C GLY A 75 -3.395 -5.799 8.470 1.00 0.00 C ATOM 1169 O GLY A 75 -2.963 -6.836 8.974 1.00 0.00 O ATOM 0 H GLY A 75 -5.442 -3.490 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.398 -6.245 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.266 -5.587 7.455 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.609 -4.889 7.903 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.163 -5.063 7.836 1.00 0.00 C ATOM 1175 C PHE A 76 -0.569 -5.221 9.233 1.00 0.00 C ATOM 1176 O PHE A 76 0.434 -5.909 9.419 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.517 -3.871 7.127 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.740 -3.865 5.641 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.504 -5.004 4.887 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.185 -2.721 4.999 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.709 -5.001 3.520 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.392 -2.713 3.633 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.152 -3.854 2.892 1.00 0.00 C ATOM 0 H PHE A 76 -2.950 -4.024 7.483 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.957 -5.970 7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.914 -2.948 7.550 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.555 -3.877 7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.156 -5.904 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.372 -1.825 5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.523 -5.895 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.741 -1.815 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.311 -3.849 1.824 1.00 0.00 H new ATOM 1193 N ALA A 77 -1.197 -4.577 10.212 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.732 -4.646 11.592 1.00 0.00 C ATOM 1195 C ALA A 77 -1.177 -5.945 12.257 1.00 0.00 C ATOM 1196 O ALA A 77 -0.817 -6.223 13.401 1.00 0.00 O ATOM 1197 CB ALA A 77 -1.239 -3.447 12.380 1.00 0.00 C ATOM 0 H ALA A 77 -2.028 -4.002 10.075 1.00 0.00 H new ATOM 0 HA ALA A 77 0.358 -4.627 11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.884 -3.511 13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.867 -2.529 11.925 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.329 -3.441 12.372 1.00 0.00 H new ATOM 1203 N SER A 78 -1.962 -6.736 11.533 1.00 0.00 N ATOM 1204 CA SER A 78 -2.460 -8.004 12.054 1.00 0.00 C ATOM 1205 C SER A 78 -1.337 -9.033 12.142 1.00 0.00 C ATOM 1206 O SER A 78 -1.302 -9.852 13.061 1.00 0.00 O ATOM 1207 CB SER A 78 -3.587 -8.536 11.168 1.00 0.00 C ATOM 1208 OG SER A 78 -4.681 -7.636 11.138 1.00 0.00 O ATOM 0 H SER A 78 -2.267 -6.521 10.584 1.00 0.00 H new ATOM 0 HA SER A 78 -2.849 -7.829 13.057 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.214 -8.694 10.156 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.920 -9.505 11.540 1.00 0.00 H new ATOM 0 HG SER A 78 -4.347 -6.715 11.158 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.422 -8.985 11.180 1.00 0.00 N ATOM 1215 CA ILE A 79 0.702 -9.912 11.149 1.00 0.00 C ATOM 1216 C ILE A 79 1.906 -9.341 11.890 1.00 0.00 C ATOM 1217 O ILE A 79 2.647 -10.071 12.548 1.00 0.00 O ATOM 1218 CB ILE A 79 1.115 -10.248 9.704 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.127 -8.980 8.846 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.174 -11.286 9.111 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -0.213 -8.659 8.224 1.00 0.00 C ATOM 0 H ILE A 79 -0.437 -8.314 10.412 1.00 0.00 H new ATOM 0 HA ILE A 79 0.372 -10.825 11.645 1.00 0.00 H new ATOM 0 HB ILE A 79 2.122 -10.665 9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.444 -8.138 9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.868 -9.093 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.479 -11.513 8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.211 -12.195 9.711 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.843 -10.895 9.107 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.130 -7.749 7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.523 -9.484 7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.954 -8.513 9.010 1.00 0.00 H new ATOM 1233 N GLY A 80 2.095 -8.029 11.780 1.00 0.00 N ATOM 1234 CA GLY A 80 3.209 -7.381 12.447 1.00 0.00 C ATOM 1235 C GLY A 80 3.831 -6.286 11.604 1.00 0.00 C ATOM 1236 O GLY A 80 5.055 -6.169 11.531 1.00 0.00 O ATOM 0 H GLY A 80 1.496 -7.404 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.867 -6.958 13.392 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.968 -8.126 12.687 1.00 0.00 H new ATOM 1240 N ILE A 81 2.988 -5.482 10.965 1.00 0.00 N ATOM 1241 CA ILE A 81 3.462 -4.391 10.123 1.00 0.00 C ATOM 1242 C ILE A 81 3.217 -3.039 10.785 1.00 0.00 C ATOM 1243 O ILE A 81 2.181 -2.410 10.570 1.00 0.00 O ATOM 1244 CB ILE A 81 2.778 -4.406 8.743 1.00 0.00 C ATOM 1245 CG1 ILE A 81 2.951 -5.774 8.079 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.346 -3.307 7.859 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.453 -5.820 6.652 1.00 0.00 C ATOM 0 H ILE A 81 1.973 -5.566 11.015 1.00 0.00 H new ATOM 0 HA ILE A 81 4.534 -4.539 9.989 1.00 0.00 H new ATOM 0 HB ILE A 81 1.712 -4.221 8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.006 -6.046 8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.419 -6.523 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.853 -3.330 6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.177 -2.338 8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.417 -3.464 7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.607 -6.819 6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.390 -5.579 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.002 -5.095 6.051 1.00 0.00 H new ATOM 1259 N SER A 82 4.178 -2.597 11.590 1.00 0.00 N ATOM 1260 CA SER A 82 4.066 -1.320 12.285 1.00 0.00 C ATOM 1261 C SER A 82 3.460 -0.257 11.374 1.00 0.00 C ATOM 1262 O SER A 82 3.902 -0.071 10.240 1.00 0.00 O ATOM 1263 CB SER A 82 5.439 -0.862 12.779 1.00 0.00 C ATOM 1264 OG SER A 82 5.815 -1.556 13.956 1.00 0.00 O ATOM 0 H SER A 82 5.043 -3.104 11.777 1.00 0.00 H new ATOM 0 HA SER A 82 3.407 -1.458 13.142 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.183 -1.030 12.001 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.419 0.210 12.976 1.00 0.00 H new ATOM 0 HG SER A 82 6.697 -1.246 14.251 1.00 0.00 H new ATOM 1270 N ARG A 83 2.445 0.437 11.878 1.00 0.00 N ATOM 1271 CA ARG A 83 1.777 1.481 11.110 1.00 0.00 C ATOM 1272 C ARG A 83 2.557 2.790 11.178 1.00 0.00 C ATOM 1273 O ARG A 83 2.702 3.384 12.247 1.00 0.00 O ATOM 1274 CB ARG A 83 0.354 1.695 11.631 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.441 0.408 11.779 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.467 0.512 12.897 1.00 0.00 C ATOM 1277 NE ARG A 83 -2.237 1.751 12.819 1.00 0.00 N ATOM 1278 CZ ARG A 83 -2.934 2.247 13.835 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -2.958 1.614 15.000 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -3.610 3.380 13.687 1.00 0.00 N ATOM 0 H ARG A 83 2.067 0.295 12.815 1.00 0.00 H new ATOM 0 HA ARG A 83 1.732 1.159 10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.402 2.196 12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.176 2.363 10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.946 0.181 10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.239 -0.419 11.983 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.145 -0.340 12.847 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.960 0.460 13.860 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.239 2.263 11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.440 0.743 15.118 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.494 1.998 15.778 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.594 3.870 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.145 3.760 14.468 1.00 0.00 H new ATOM 1294 N LEU A 84 3.059 3.233 10.031 1.00 0.00 N ATOM 1295 CA LEU A 84 3.826 4.472 9.959 1.00 0.00 C ATOM 1296 C LEU A 84 2.950 5.628 9.486 1.00 0.00 C ATOM 1297 O LEU A 84 2.919 6.691 10.107 1.00 0.00 O ATOM 1298 CB LEU A 84 5.019 4.302 9.017 1.00 0.00 C ATOM 1299 CG LEU A 84 5.953 3.130 9.320 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.049 3.035 8.270 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.554 3.273 10.711 1.00 0.00 C ATOM 0 H LEU A 84 2.949 2.753 9.138 1.00 0.00 H new ATOM 0 HA LEU A 84 4.191 4.703 10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.641 4.186 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.605 5.221 9.035 1.00 0.00 H new ATOM 0 HG LEU A 84 5.371 2.209 9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.704 2.195 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.600 2.884 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.630 3.957 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.216 2.430 10.910 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.122 4.202 10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.755 3.290 11.453 1.00 0.00 H new ATOM 1313 N LEU A 85 2.240 5.413 8.385 1.00 0.00 N ATOM 1314 CA LEU A 85 1.361 6.436 7.829 1.00 0.00 C ATOM 1315 C LEU A 85 -0.012 6.395 8.494 1.00 0.00 C ATOM 1316 O LEU A 85 -0.491 5.330 8.882 1.00 0.00 O ATOM 1317 CB LEU A 85 1.214 6.245 6.319 1.00 0.00 C ATOM 1318 CG LEU A 85 0.613 7.421 5.549 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.536 8.628 5.611 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.341 7.029 4.104 1.00 0.00 C ATOM 0 H LEU A 85 2.255 4.539 7.859 1.00 0.00 H new ATOM 0 HA LEU A 85 1.810 7.410 8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.198 6.029 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.594 5.366 6.143 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.334 7.690 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.091 9.455 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.680 8.923 6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.499 8.372 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.087 7.878 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.274 6.733 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.360 6.195 4.079 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.638 7.560 8.620 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.956 7.656 9.237 1.00 0.00 C ATOM 1334 C GLU A 86 -3.036 7.873 8.181 1.00 0.00 C ATOM 1335 O GLU A 86 -2.810 8.498 7.145 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.985 8.798 10.255 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.899 8.698 11.313 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.218 9.508 12.554 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.274 9.258 13.171 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.411 10.393 12.909 1.00 0.00 O ATOM 0 H GLU A 86 -0.254 8.450 8.303 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.158 6.716 9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.881 9.746 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.958 8.812 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.763 7.653 11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.046 9.042 10.892 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.239 7.345 8.449 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.379 7.467 7.535 1.00 0.00 C ATOM 1349 C PRO A 87 -5.913 8.893 7.462 1.00 0.00 C ATOM 1350 O PRO A 87 -6.173 9.414 6.377 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.427 6.534 8.148 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.078 6.471 9.595 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.580 6.587 9.665 1.00 0.00 C ATOM 0 HA PRO A 87 -5.109 7.212 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.436 6.920 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.394 5.546 7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.558 7.278 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.418 5.535 10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.259 7.109 10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.101 5.608 9.676 1.00 0.00 H new ATOM 1361 N SER A 88 -6.074 9.520 8.623 1.00 0.00 N ATOM 1362 CA SER A 88 -6.580 10.886 8.691 1.00 0.00 C ATOM 1363 C SER A 88 -5.632 11.853 7.987 1.00 0.00 C ATOM 1364 O SER A 88 -6.066 12.755 7.272 1.00 0.00 O ATOM 1365 CB SER A 88 -6.770 11.311 10.148 1.00 0.00 C ATOM 1366 OG SER A 88 -5.536 11.312 10.844 1.00 0.00 O ATOM 0 H SER A 88 -5.861 9.104 9.530 1.00 0.00 H new ATOM 0 HA SER A 88 -7.544 10.915 8.183 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.213 12.306 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.468 10.633 10.640 1.00 0.00 H new ATOM 0 HG SER A 88 -5.684 11.589 11.772 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.335 11.656 8.196 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.323 12.508 7.582 1.00 0.00 C ATOM 1374 C ASP A 89 -3.591 12.680 6.090 1.00 0.00 C ATOM 1375 O ASP A 89 -3.617 13.800 5.580 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.929 11.918 7.799 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.314 12.354 9.114 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.796 13.349 9.695 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.350 11.699 9.563 1.00 0.00 O ATOM 0 H ASP A 89 -3.959 10.914 8.786 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.371 13.488 8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.990 10.830 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.278 12.220 6.979 1.00 0.00 H new ATOM 1384 N MET A 90 -3.788 11.564 5.397 1.00 0.00 N ATOM 1385 CA MET A 90 -4.053 11.592 3.963 1.00 0.00 C ATOM 1386 C MET A 90 -5.176 12.571 3.637 1.00 0.00 C ATOM 1387 O MET A 90 -5.227 13.130 2.542 1.00 0.00 O ATOM 1388 CB MET A 90 -4.419 10.193 3.463 1.00 0.00 C ATOM 1389 CG MET A 90 -3.338 9.155 3.718 1.00 0.00 C ATOM 1390 SD MET A 90 -1.911 9.358 2.635 1.00 0.00 S ATOM 1391 CE MET A 90 -1.820 7.733 1.887 1.00 0.00 C ATOM 0 H MET A 90 -3.769 10.629 5.804 1.00 0.00 H new ATOM 0 HA MET A 90 -3.146 11.925 3.458 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.341 9.872 3.948 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.621 10.240 2.393 1.00 0.00 H new ATOM 0 HG2 MET A 90 -3.013 9.222 4.756 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.757 8.158 3.578 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.962 7.689 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.710 6.979 2.667 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.732 7.541 1.323 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.075 12.773 4.595 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.197 13.686 4.410 1.00 0.00 C ATOM 1403 C VAL A 91 -6.818 15.110 4.799 1.00 0.00 C ATOM 1404 O VAL A 91 -7.105 16.061 4.071 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.420 13.247 5.238 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.640 14.079 4.872 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.695 11.765 5.038 1.00 0.00 C ATOM 0 H VAL A 91 -6.048 12.317 5.507 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.455 13.659 3.351 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.201 13.413 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.494 13.754 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.437 15.131 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.865 13.949 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.562 11.473 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.893 11.571 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.827 11.188 5.356 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.171 15.250 5.950 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.750 16.560 6.437 1.00 0.00 C ATOM 1419 C LEU A 92 -5.057 17.353 5.335 1.00 0.00 C ATOM 1420 O LEU A 92 -5.581 18.360 4.856 1.00 0.00 O ATOM 1421 CB LEU A 92 -4.812 16.403 7.635 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.345 15.568 8.800 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.308 15.474 9.908 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.643 16.160 9.331 1.00 0.00 C ATOM 0 H LEU A 92 -5.926 14.473 6.564 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.639 17.108 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.883 15.953 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.564 17.396 8.010 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.550 14.561 8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.705 14.876 10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.404 15.004 9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.071 16.474 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.008 15.553 10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.464 17.178 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.389 16.174 8.536 1.00 0.00 H new ATOM 1436 N LEU A 93 -3.877 16.893 4.934 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.112 17.559 3.885 1.00 0.00 C ATOM 1438 C LEU A 93 -3.612 17.150 2.504 1.00 0.00 C ATOM 1439 O LEU A 93 -4.496 16.303 2.378 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.625 17.225 4.021 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.262 15.741 3.955 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.048 15.308 2.513 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.020 15.459 4.788 1.00 0.00 C ATOM 0 H LEU A 93 -3.429 16.062 5.319 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.248 18.635 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.082 17.747 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.269 17.624 4.971 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.090 15.165 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.790 14.249 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.963 15.474 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.237 15.890 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.224 14.398 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.816 16.045 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.209 15.731 5.826 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.039 17.757 1.469 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.424 17.453 0.097 1.00 0.00 C ATOM 1457 C ALA A 94 -2.593 16.304 -0.465 1.00 0.00 C ATOM 1458 O ALA A 94 -3.123 15.238 -0.778 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.278 18.689 -0.778 1.00 0.00 C ATOM 0 H ALA A 94 -2.307 18.462 1.555 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.469 17.144 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.569 18.447 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.920 19.483 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.241 19.023 -0.765 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.289 16.529 -0.591 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.386 15.512 -1.114 1.00 0.00 C ATOM 1467 C ILE A 95 0.577 15.025 -0.037 1.00 0.00 C ATOM 1468 O ILE A 95 1.282 15.808 0.600 1.00 0.00 O ATOM 1469 CB ILE A 95 0.426 16.043 -2.311 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.500 16.717 -3.325 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.204 14.911 -2.966 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.187 15.744 -4.257 1.00 0.00 C ATOM 0 H ILE A 95 -0.835 17.407 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.006 14.680 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 95 1.137 16.785 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.257 17.290 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.078 17.427 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.773 15.301 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.888 14.472 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.509 14.148 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.827 16.292 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.437 15.188 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.792 15.049 -3.675 1.00 0.00 H new ATOM 1484 N PRO A 96 0.610 13.700 0.172 1.00 0.00 N ATOM 1485 CA PRO A 96 1.485 13.078 1.170 1.00 0.00 C ATOM 1486 C PRO A 96 2.956 13.152 0.778 1.00 0.00 C ATOM 1487 O PRO A 96 3.291 13.507 -0.352 1.00 0.00 O ATOM 1488 CB PRO A 96 1.011 11.623 1.198 1.00 0.00 C ATOM 1489 CG PRO A 96 0.406 11.395 -0.144 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.203 12.708 -0.551 1.00 0.00 C ATOM 0 HA PRO A 96 1.424 13.580 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.841 10.940 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.284 11.459 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.160 11.075 -0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.349 10.610 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.153 12.857 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.254 12.768 -0.269 1.00 0.00 H new ATOM 1498 N ASP A 97 3.832 12.815 1.719 1.00 0.00 N ATOM 1499 CA ASP A 97 5.269 12.841 1.471 1.00 0.00 C ATOM 1500 C ASP A 97 5.728 11.551 0.799 1.00 0.00 C ATOM 1501 O ASP A 97 5.981 10.547 1.465 1.00 0.00 O ATOM 1502 CB ASP A 97 6.030 13.048 2.781 1.00 0.00 C ATOM 1503 CG ASP A 97 6.021 14.494 3.234 1.00 0.00 C ATOM 1504 OD1 ASP A 97 5.052 15.212 2.909 1.00 0.00 O ATOM 1505 OD2 ASP A 97 6.984 14.910 3.913 1.00 0.00 O ATOM 0 H ASP A 97 3.572 12.521 2.660 1.00 0.00 H new ATOM 0 HA ASP A 97 5.482 13.674 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.587 12.424 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.061 12.716 2.655 1.00 0.00 H new ATOM 1510 N LYS A 98 5.833 11.585 -0.525 1.00 0.00 N ATOM 1511 CA LYS A 98 6.262 10.419 -1.289 1.00 0.00 C ATOM 1512 C LYS A 98 7.291 9.606 -0.510 1.00 0.00 C ATOM 1513 O LYS A 98 7.241 8.376 -0.492 1.00 0.00 O ATOM 1514 CB LYS A 98 6.852 10.854 -2.633 1.00 0.00 C ATOM 1515 CG LYS A 98 7.370 9.698 -3.471 1.00 0.00 C ATOM 1516 CD LYS A 98 8.529 10.127 -4.357 1.00 0.00 C ATOM 1517 CE LYS A 98 9.484 8.974 -4.623 1.00 0.00 C ATOM 1518 NZ LYS A 98 10.494 9.318 -5.661 1.00 0.00 N ATOM 0 H LYS A 98 5.627 12.408 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 98 5.389 9.791 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.090 11.389 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.667 11.555 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.692 8.888 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.563 9.306 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.144 10.507 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.069 10.945 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.992 8.703 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.917 8.100 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.126 8.506 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.011 9.552 -6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.052 10.136 -5.344 1.00 0.00 H new ATOM 1532 N LEU A 99 8.222 10.301 0.135 1.00 0.00 N ATOM 1533 CA LEU A 99 9.262 9.643 0.918 1.00 0.00 C ATOM 1534 C LEU A 99 8.651 8.753 1.996 1.00 0.00 C ATOM 1535 O LEU A 99 9.015 7.584 2.132 1.00 0.00 O ATOM 1536 CB LEU A 99 10.179 10.685 1.561 1.00 0.00 C ATOM 1537 CG LEU A 99 10.922 11.611 0.597 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.603 12.738 1.358 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.938 10.827 -0.220 1.00 0.00 C ATOM 0 H LEU A 99 8.278 11.319 0.131 1.00 0.00 H new ATOM 0 HA LEU A 99 9.848 9.017 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.582 11.299 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.915 10.164 2.173 1.00 0.00 H new ATOM 0 HG LEU A 99 10.196 12.049 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.127 13.387 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.854 13.317 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.317 12.319 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.457 11.502 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.661 10.360 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.425 10.056 -0.795 1.00 0.00 H new ATOM 1551 N THR A 100 7.718 9.313 2.760 1.00 0.00 N ATOM 1552 CA THR A 100 7.056 8.570 3.825 1.00 0.00 C ATOM 1553 C THR A 100 6.339 7.342 3.275 1.00 0.00 C ATOM 1554 O THR A 100 6.787 6.212 3.467 1.00 0.00 O ATOM 1555 CB THR A 100 6.039 9.451 4.575 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.694 10.603 5.117 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.368 8.669 5.695 1.00 0.00 C ATOM 0 H THR A 100 7.404 10.278 2.661 1.00 0.00 H new ATOM 0 HA THR A 100 7.833 8.252 4.520 1.00 0.00 H new ATOM 0 HB THR A 100 5.274 9.769 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.040 11.158 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.654 9.312 6.210 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.845 7.809 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.123 8.325 6.402 1.00 0.00 H new ATOM 1565 N VAL A 101 5.224 7.571 2.589 1.00 0.00 N ATOM 1566 CA VAL A 101 4.446 6.483 2.009 1.00 0.00 C ATOM 1567 C VAL A 101 5.351 5.351 1.536 1.00 0.00 C ATOM 1568 O VAL A 101 5.199 4.204 1.955 1.00 0.00 O ATOM 1569 CB VAL A 101 3.592 6.972 0.824 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.820 5.816 0.209 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.647 8.078 1.270 1.00 0.00 C ATOM 0 H VAL A 101 4.839 8.501 2.421 1.00 0.00 H new ATOM 0 HA VAL A 101 3.786 6.113 2.794 1.00 0.00 H new ATOM 0 HB VAL A 101 4.257 7.379 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.223 6.181 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.520 5.060 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.163 5.377 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.051 8.412 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.987 7.700 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.225 8.916 1.659 1.00 0.00 H new ATOM 1581 N MET A 102 6.294 5.683 0.660 1.00 0.00 N ATOM 1582 CA MET A 102 7.227 4.694 0.130 1.00 0.00 C ATOM 1583 C MET A 102 7.902 3.924 1.260 1.00 0.00 C ATOM 1584 O MET A 102 8.057 2.704 1.189 1.00 0.00 O ATOM 1585 CB MET A 102 8.284 5.374 -0.742 1.00 0.00 C ATOM 1586 CG MET A 102 7.781 5.746 -2.128 1.00 0.00 C ATOM 1587 SD MET A 102 7.615 4.315 -3.213 1.00 0.00 S ATOM 1588 CE MET A 102 9.084 4.486 -4.224 1.00 0.00 C ATOM 0 H MET A 102 6.433 6.628 0.302 1.00 0.00 H new ATOM 0 HA MET A 102 6.662 3.989 -0.480 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.635 6.275 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.143 4.710 -0.842 1.00 0.00 H new ATOM 0 HG2 MET A 102 6.815 6.243 -2.039 1.00 0.00 H new ATOM 0 HG3 MET A 102 8.468 6.462 -2.580 1.00 0.00 H new ATOM 0 HE1 MET A 102 9.270 3.553 -4.756 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.939 5.292 -4.944 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.938 4.718 -3.588 1.00 0.00 H new ATOM 1598 N THR A 103 8.303 4.643 2.304 1.00 0.00 N ATOM 1599 CA THR A 103 8.964 4.028 3.448 1.00 0.00 C ATOM 1600 C THR A 103 8.089 2.946 4.071 1.00 0.00 C ATOM 1601 O THR A 103 8.584 1.902 4.496 1.00 0.00 O ATOM 1602 CB THR A 103 9.312 5.073 4.525 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.206 6.052 3.985 1.00 0.00 O ATOM 1604 CG2 THR A 103 9.950 4.409 5.736 1.00 0.00 C ATOM 0 H THR A 103 8.181 5.653 2.380 1.00 0.00 H new ATOM 0 HA THR A 103 9.885 3.579 3.077 1.00 0.00 H new ATOM 0 HB THR A 103 8.389 5.559 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.697 6.706 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.187 5.166 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.256 3.684 6.161 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.865 3.900 5.432 1.00 0.00 H new ATOM 1612 N TYR A 104 6.786 3.201 4.121 1.00 0.00 N ATOM 1613 CA TYR A 104 5.842 2.249 4.694 1.00 0.00 C ATOM 1614 C TYR A 104 5.643 1.054 3.766 1.00 0.00 C ATOM 1615 O TYR A 104 5.616 -0.094 4.210 1.00 0.00 O ATOM 1616 CB TYR A 104 4.499 2.929 4.964 1.00 0.00 C ATOM 1617 CG TYR A 104 3.465 2.008 5.570 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.751 1.263 6.707 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.200 1.885 5.007 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.809 0.419 7.264 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.252 1.045 5.558 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.561 0.314 6.686 1.00 0.00 C ATOM 1623 OH TYR A 104 0.619 -0.523 7.239 1.00 0.00 O ATOM 0 H TYR A 104 6.360 4.059 3.772 1.00 0.00 H new ATOM 0 HA TYR A 104 6.255 1.889 5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.657 3.774 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.111 3.332 4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.726 1.345 7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.954 2.456 4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.049 -0.155 8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.274 0.961 5.108 1.00 0.00 H new ATOM 0 HH TYR A 104 0.216 -1.073 6.535 1.00 0.00 H new ATOM 1633 N LEU A 105 5.504 1.333 2.475 1.00 0.00 N ATOM 1634 CA LEU A 105 5.307 0.283 1.482 1.00 0.00 C ATOM 1635 C LEU A 105 6.383 -0.791 1.605 1.00 0.00 C ATOM 1636 O LEU A 105 6.079 -1.974 1.762 1.00 0.00 O ATOM 1637 CB LEU A 105 5.323 0.877 0.073 1.00 0.00 C ATOM 1638 CG LEU A 105 3.981 1.384 -0.457 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.174 2.149 -1.757 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.014 0.225 -0.657 1.00 0.00 C ATOM 0 H LEU A 105 5.524 2.278 2.091 1.00 0.00 H new ATOM 0 HA LEU A 105 4.336 -0.178 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.033 1.704 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.700 0.120 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 105 3.555 2.064 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.208 2.502 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.830 3.002 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.623 1.492 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.064 0.604 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.434 -0.480 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.850 -0.281 0.295 1.00 0.00 H new ATOM 1652 N TYR A 106 7.642 -0.371 1.536 1.00 0.00 N ATOM 1653 CA TYR A 106 8.763 -1.297 1.640 1.00 0.00 C ATOM 1654 C TYR A 106 8.515 -2.334 2.731 1.00 0.00 C ATOM 1655 O TYR A 106 8.921 -3.489 2.608 1.00 0.00 O ATOM 1656 CB TYR A 106 10.056 -0.534 1.931 1.00 0.00 C ATOM 1657 CG TYR A 106 10.416 0.477 0.865 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.303 0.164 -0.484 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.870 1.745 1.207 1.00 0.00 C ATOM 1660 CE1 TYR A 106 10.631 1.083 -1.461 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.199 2.672 0.237 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.079 2.336 -1.095 1.00 0.00 C ATOM 1663 OH TYR A 106 11.406 3.255 -2.066 1.00 0.00 O ATOM 0 H TYR A 106 7.911 0.605 1.409 1.00 0.00 H new ATOM 0 HA TYR A 106 8.861 -1.816 0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.958 -0.021 2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.874 -1.247 2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.952 -0.816 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.967 2.010 2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 106 10.538 0.823 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.548 3.654 0.520 1.00 0.00 H new ATOM 0 HH TYR A 106 11.703 4.087 -1.642 1.00 0.00 H new ATOM 1673 N GLN A 107 7.844 -1.911 3.797 1.00 0.00 N ATOM 1674 CA GLN A 107 7.540 -2.803 4.911 1.00 0.00 C ATOM 1675 C GLN A 107 6.632 -3.943 4.463 1.00 0.00 C ATOM 1676 O GLN A 107 6.989 -5.116 4.580 1.00 0.00 O ATOM 1677 CB GLN A 107 6.878 -2.025 6.049 1.00 0.00 C ATOM 1678 CG GLN A 107 7.629 -0.762 6.441 1.00 0.00 C ATOM 1679 CD GLN A 107 7.370 -0.351 7.876 1.00 0.00 C ATOM 1680 OE1 GLN A 107 6.279 -0.560 8.407 1.00 0.00 O ATOM 1681 NE2 GLN A 107 8.374 0.239 8.514 1.00 0.00 N ATOM 0 H GLN A 107 7.501 -0.958 3.913 1.00 0.00 H new ATOM 0 HA GLN A 107 8.477 -3.229 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.864 -1.757 5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.795 -2.674 6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.698 -0.921 6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.337 0.051 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.262 0.393 8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.257 0.538 9.482 1.00 0.00 H new ATOM 1690 N ILE A 108 5.458 -3.592 3.951 1.00 0.00 N ATOM 1691 CA ILE A 108 4.499 -4.586 3.485 1.00 0.00 C ATOM 1692 C ILE A 108 5.155 -5.576 2.528 1.00 0.00 C ATOM 1693 O ILE A 108 5.154 -6.783 2.771 1.00 0.00 O ATOM 1694 CB ILE A 108 3.300 -3.926 2.780 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.446 -3.157 3.791 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.464 -4.975 2.062 1.00 0.00 C ATOM 1697 CD1 ILE A 108 2.882 -1.721 3.981 1.00 0.00 C ATOM 0 H ILE A 108 5.147 -2.626 3.848 1.00 0.00 H new ATOM 0 HA ILE A 108 4.143 -5.118 4.367 1.00 0.00 H new ATOM 0 HB ILE A 108 3.676 -3.221 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.407 -3.172 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.484 -3.670 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.620 -4.493 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.078 -5.483 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.094 -5.703 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.233 -1.237 4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.911 -1.698 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.817 -1.192 3.030 1.00 0.00 H new ATOM 1709 N ARG A 109 5.716 -5.057 1.441 1.00 0.00 N ATOM 1710 CA ARG A 109 6.377 -5.895 0.448 1.00 0.00 C ATOM 1711 C ARG A 109 7.457 -6.756 1.095 1.00 0.00 C ATOM 1712 O ARG A 109 7.628 -7.923 0.743 1.00 0.00 O ATOM 1713 CB ARG A 109 6.991 -5.029 -0.654 1.00 0.00 C ATOM 1714 CG ARG A 109 7.902 -5.798 -1.596 1.00 0.00 C ATOM 1715 CD ARG A 109 8.916 -4.881 -2.262 1.00 0.00 C ATOM 1716 NE ARG A 109 9.327 -5.380 -3.572 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.036 -6.489 -3.747 1.00 0.00 C ATOM 1718 NH1 ARG A 109 10.411 -7.212 -2.701 1.00 0.00 N ATOM 1719 NH2 ARG A 109 10.371 -6.878 -4.971 1.00 0.00 N ATOM 0 H ARG A 109 5.726 -4.060 1.226 1.00 0.00 H new ATOM 0 HA ARG A 109 5.628 -6.553 0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.189 -4.569 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.558 -4.219 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.424 -6.579 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.303 -6.295 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.487 -3.885 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.792 -4.782 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 109 9.054 -4.847 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.155 -6.917 -1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.956 -8.063 -2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.084 -6.325 -5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.916 -7.730 -5.104 1.00 0.00 H new ATOM 1733 N ALA A 110 8.183 -6.172 2.042 1.00 0.00 N ATOM 1734 CA ALA A 110 9.246 -6.886 2.739 1.00 0.00 C ATOM 1735 C ALA A 110 8.695 -8.095 3.489 1.00 0.00 C ATOM 1736 O ALA A 110 9.192 -9.212 3.337 1.00 0.00 O ATOM 1737 CB ALA A 110 9.968 -5.952 3.699 1.00 0.00 C ATOM 0 H ALA A 110 8.055 -5.206 2.344 1.00 0.00 H new ATOM 0 HA ALA A 110 9.957 -7.245 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.759 -6.499 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.403 -5.122 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.260 -5.565 4.432 1.00 0.00 H new ATOM 1743 N HIS A 111 7.666 -7.865 4.298 1.00 0.00 N ATOM 1744 CA HIS A 111 7.048 -8.936 5.072 1.00 0.00 C ATOM 1745 C HIS A 111 6.683 -10.114 4.174 1.00 0.00 C ATOM 1746 O HIS A 111 7.266 -11.193 4.280 1.00 0.00 O ATOM 1747 CB HIS A 111 5.800 -8.421 5.789 1.00 0.00 C ATOM 1748 CG HIS A 111 5.402 -9.251 6.970 1.00 0.00 C ATOM 1749 ND1 HIS A 111 6.202 -9.410 8.082 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.280 -9.970 7.210 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.590 -10.191 8.954 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.422 -10.544 8.449 1.00 0.00 N ATOM 0 H HIS A 111 7.243 -6.947 4.435 1.00 0.00 H new ATOM 0 HA HIS A 111 7.770 -9.277 5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 111 5.977 -7.397 6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 111 4.971 -8.390 5.081 1.00 0.00 H new ATOM 0 HD1 HIS A 111 7.123 -8.990 8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 111 3.432 -10.073 6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.979 -10.490 9.916 1.00 0.00 H new ATOM 1761 N PHE A 112 5.715 -9.900 3.289 1.00 0.00 N ATOM 1762 CA PHE A 112 5.271 -10.944 2.373 1.00 0.00 C ATOM 1763 C PHE A 112 6.440 -11.482 1.553 1.00 0.00 C ATOM 1764 O PHE A 112 6.648 -12.692 1.468 1.00 0.00 O ATOM 1765 CB PHE A 112 4.184 -10.406 1.440 1.00 0.00 C ATOM 1766 CG PHE A 112 2.827 -10.335 2.080 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.031 -11.465 2.176 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.346 -9.137 2.585 1.00 0.00 C ATOM 1769 CE1 PHE A 112 0.782 -11.403 2.764 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.098 -9.069 3.174 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.315 -10.203 3.263 1.00 0.00 C ATOM 0 H PHE A 112 5.223 -9.012 3.187 1.00 0.00 H new ATOM 0 HA PHE A 112 4.859 -11.761 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.469 -9.411 1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.127 -11.042 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.391 -12.406 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.954 -8.247 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.172 -12.292 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 112 0.735 -8.130 3.564 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.661 -10.151 3.722 1.00 0.00 H new ATOM 1781 N SER A 113 7.200 -10.573 0.951 1.00 0.00 N ATOM 1782 CA SER A 113 8.346 -10.954 0.134 1.00 0.00 C ATOM 1783 C SER A 113 9.653 -10.702 0.880 1.00 0.00 C ATOM 1784 O SER A 113 10.175 -9.587 0.880 1.00 0.00 O ATOM 1785 CB SER A 113 8.340 -10.178 -1.185 1.00 0.00 C ATOM 1786 OG SER A 113 9.355 -10.646 -2.056 1.00 0.00 O ATOM 0 H SER A 113 7.043 -9.567 1.014 1.00 0.00 H new ATOM 0 HA SER A 113 8.270 -12.020 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 113 7.367 -10.280 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.487 -9.116 -0.987 1.00 0.00 H new ATOM 0 HG SER A 113 9.330 -10.136 -2.892 1.00 0.00 H new ATOM 1792 N SER A 114 10.176 -11.746 1.514 1.00 0.00 N ATOM 1793 CA SER A 114 11.420 -11.638 2.267 1.00 0.00 C ATOM 1794 C SER A 114 12.424 -10.754 1.534 1.00 0.00 C ATOM 1795 O SER A 114 12.694 -10.952 0.350 1.00 0.00 O ATOM 1796 CB SER A 114 12.021 -13.025 2.502 1.00 0.00 C ATOM 1797 OG SER A 114 12.247 -13.697 1.275 1.00 0.00 O ATOM 0 H SER A 114 9.758 -12.676 1.521 1.00 0.00 H new ATOM 0 HA SER A 114 11.194 -11.180 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.960 -12.930 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.349 -13.615 3.125 1.00 0.00 H new ATOM 0 HG SER A 114 12.539 -13.052 0.598 1.00 0.00 H new ATOM 1803 N GLY A 115 12.975 -9.777 2.248 1.00 0.00 N ATOM 1804 CA GLY A 115 13.943 -8.876 1.650 1.00 0.00 C ATOM 1805 C GLY A 115 15.030 -8.464 2.622 1.00 0.00 C ATOM 1806 O GLY A 115 15.430 -9.230 3.500 1.00 0.00 O ATOM 0 H GLY A 115 12.768 -9.593 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 115 14.398 -9.359 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.430 -7.986 1.286 1.00 0.00 H new ATOM 1810 N PRO A 116 15.528 -7.228 2.472 1.00 0.00 N ATOM 1811 CA PRO A 116 16.583 -6.689 3.334 1.00 0.00 C ATOM 1812 C PRO A 116 16.093 -6.424 4.754 1.00 0.00 C ATOM 1813 O PRO A 116 15.603 -5.337 5.059 1.00 0.00 O ATOM 1814 CB PRO A 116 16.966 -5.375 2.647 1.00 0.00 C ATOM 1815 CG PRO A 116 15.750 -4.978 1.884 1.00 0.00 C ATOM 1816 CD PRO A 116 15.098 -6.261 1.448 1.00 0.00 C ATOM 0 HA PRO A 116 17.414 -7.386 3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.242 -4.613 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.822 -5.509 1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.075 -4.388 2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.013 -4.362 1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.012 -6.168 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.424 -6.559 0.452 1.00 0.00 H new ATOM 1824 N SER A 117 16.228 -7.425 5.618 1.00 0.00 N ATOM 1825 CA SER A 117 15.796 -7.301 7.005 1.00 0.00 C ATOM 1826 C SER A 117 16.444 -8.374 7.874 1.00 0.00 C ATOM 1827 O SER A 117 16.335 -9.567 7.591 1.00 0.00 O ATOM 1828 CB SER A 117 14.272 -7.405 7.098 1.00 0.00 C ATOM 1829 OG SER A 117 13.849 -7.500 8.447 1.00 0.00 O ATOM 0 H SER A 117 16.633 -8.331 5.382 1.00 0.00 H new ATOM 0 HA SER A 117 16.110 -6.323 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.816 -6.532 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.929 -8.279 6.544 1.00 0.00 H new ATOM 0 HG SER A 117 12.872 -7.564 8.480 1.00 0.00 H new ATOM 1835 N SER A 118 17.120 -7.940 8.933 1.00 0.00 N ATOM 1836 CA SER A 118 17.790 -8.863 9.843 1.00 0.00 C ATOM 1837 C SER A 118 16.884 -10.041 10.186 1.00 0.00 C ATOM 1838 O SER A 118 17.227 -11.196 9.935 1.00 0.00 O ATOM 1839 CB SER A 118 18.207 -8.137 11.123 1.00 0.00 C ATOM 1840 OG SER A 118 18.722 -9.046 12.080 1.00 0.00 O ATOM 0 H SER A 118 17.218 -6.956 9.182 1.00 0.00 H new ATOM 0 HA SER A 118 18.680 -9.245 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 118 18.960 -7.385 10.889 1.00 0.00 H new ATOM 0 HB3 SER A 118 17.350 -7.610 11.542 1.00 0.00 H new ATOM 0 HG SER A 118 18.983 -8.557 12.888 1.00 0.00 H new ATOM 1846 N GLY A 119 15.724 -9.741 10.761 1.00 0.00 N ATOM 1847 CA GLY A 119 14.786 -10.785 11.130 1.00 0.00 C ATOM 1848 C GLY A 119 14.147 -11.443 9.923 1.00 0.00 C ATOM 1849 O GLY A 119 14.145 -10.879 8.829 1.00 0.00 O ATOM 0 H GLY A 119 15.417 -8.793 10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 119 15.303 -11.541 11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 119 14.007 -10.362 11.764 1.00 0.00 H new TER 1853 GLY A 119