USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 768 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 40 GLN : amide:sc= -1.13 K(o=-21,f=-34!) USER MOD Set 1.2: A 44 SER OG : rot -169:sc= -1.91 USER MOD Set 1.3: A 45 MET CE :methyl 166:sc= -5.51! (180deg=-7.15!) USER MOD Set 1.4: A 50 HIS : no HE2:sc= -11.2! C(o=-21!,f=-27!) USER MOD Set 1.5: A 81 MET CE :methyl 177:sc= -0.911 (180deg=-0.881) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0.0291 USER MOD Set 2.2: A 91 ASN :FLIP amide:sc= -8.2! C(o=-8.7!,f=-8.2!) USER MOD Set 3.1: A 24 GLN : amide:sc= -4.96! C(o=-8.4!,f=-20!) USER MOD Set 3.2: A 69 ASN : amide:sc= -3.4 K(o=-8.4,f=-13!) USER MOD Set 4.1: A 5 HIS : no HD1:sc= -0.0894 K(o=-1.1,f=-3.8) USER MOD Set 4.2: A 16 GLN : amide:sc= -0.981 K(o=-1.1,f=-4.4!) USER MOD Single : A 1 ILE N :NH3+ 157:sc= -4.14! (180deg=-5.22!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.43 K(o=-2.4,f=-4.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -12:sc= 0.228 USER MOD Single : A 19 TYR OH : rot 130:sc= -1.21 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc=-0.000928 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -36:sc= -0.14 USER MOD Single : A 33 THR OG1 : rot -60:sc= 0.36 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 38 THR OG1 : rot 144:sc= -0.791 USER MOD Single : A 41 SER OG : rot 180:sc= 0.567 USER MOD Single : A 43 SER OG : rot -90:sc= -2.23 USER MOD Single : A 46 THR OG1 : rot 154:sc= -1.58 USER MOD Single : A 48 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-6.3!) USER MOD Single : A 56 TYR OH : rot 30:sc= -0.159 USER MOD Single : A 57 TYR OH : rot 165:sc= -2.96! USER MOD Single : A 59 ASN : amide:sc= -2.42 K(o=-2.4,f=-8!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 65 ASN : amide:sc= -0.453 K(o=-0.45,f=-4!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0895 USER MOD Single : A 80 THR OG1 : rot -49:sc= -1.04 USER MOD Single : A 84 SER OG : rot -9:sc= 0.918 USER MOD Single : A 89 TYR OH : rot 180:sc=-0.000258 USER MOD Single : A 93 THR OG1 : rot -129:sc= -1.34! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 56:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.020 -16.193 -1.496 1.00 0.00 N ATOM 2 CA ILE A 1 -0.970 -15.218 -2.028 1.00 0.00 C ATOM 3 C ILE A 1 -2.113 -15.932 -2.741 1.00 0.00 C ATOM 4 O ILE A 1 -1.937 -17.026 -3.276 1.00 0.00 O ATOM 5 CB ILE A 1 -0.319 -14.220 -3.006 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.316 -14.960 -4.193 1.00 0.00 C ATOM 7 CG2 ILE A 1 0.706 -13.354 -2.287 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.650 -15.609 -3.883 1.00 0.00 C ATOM 0 H1 ILE A 1 0.939 -15.722 -1.373 1.00 0.00 H new ATOM 0 H2 ILE A 1 -0.309 -16.556 -0.578 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.122 -16.984 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.359 -14.669 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.097 -13.564 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.376 -15.727 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.450 -14.257 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 1 1.154 -12.657 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 1 0.216 -12.796 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 1 1.484 -13.988 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.027 -16.109 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 1 2.361 -14.846 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.522 -16.340 -3.084 1.00 0.00 H new ATOM 22 N GLU A 2 -3.286 -15.305 -2.745 1.00 0.00 N ATOM 23 CA GLU A 2 -4.461 -15.880 -3.394 1.00 0.00 C ATOM 24 C GLU A 2 -4.914 -17.147 -2.675 1.00 0.00 C ATOM 25 O GLU A 2 -4.100 -18.005 -2.336 1.00 0.00 O ATOM 26 CB GLU A 2 -4.160 -16.194 -4.861 1.00 0.00 C ATOM 27 CG GLU A 2 -5.378 -16.092 -5.766 1.00 0.00 C ATOM 28 CD GLU A 2 -5.024 -16.226 -7.234 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.147 -17.052 -7.562 1.00 0.00 O ATOM 30 OE2 GLU A 2 -5.625 -15.504 -8.058 1.00 0.00 O ATOM 0 H GLU A 2 -3.448 -14.399 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.266 -15.147 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.392 -15.509 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.748 -17.201 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.093 -16.869 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.870 -15.134 -5.600 1.00 0.00 H new ATOM 37 N GLY A 3 -6.219 -17.256 -2.445 1.00 0.00 N ATOM 38 CA GLY A 3 -6.758 -18.421 -1.767 1.00 0.00 C ATOM 39 C GLY A 3 -8.270 -18.496 -1.855 1.00 0.00 C ATOM 40 O GLY A 3 -8.856 -18.151 -2.880 1.00 0.00 O ATOM 0 H GLY A 3 -6.912 -16.559 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.327 -19.323 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -6.459 -18.398 -0.719 1.00 0.00 H new ATOM 44 N ARG A 4 -8.902 -18.950 -0.777 1.00 0.00 N ATOM 45 CA ARG A 4 -10.354 -19.071 -0.737 1.00 0.00 C ATOM 46 C ARG A 4 -10.993 -17.795 -0.197 1.00 0.00 C ATOM 47 O ARG A 4 -10.310 -16.793 0.023 1.00 0.00 O ATOM 48 CB ARG A 4 -10.763 -20.263 0.129 1.00 0.00 C ATOM 49 CG ARG A 4 -10.102 -21.570 -0.283 1.00 0.00 C ATOM 50 CD ARG A 4 -8.689 -21.677 0.270 1.00 0.00 C ATOM 51 NE ARG A 4 -8.313 -23.062 0.541 1.00 0.00 N ATOM 52 CZ ARG A 4 -8.693 -23.736 1.624 1.00 0.00 C ATOM 53 NH1 ARG A 4 -9.461 -23.156 2.539 1.00 0.00 N ATOM 54 NH2 ARG A 4 -8.305 -24.992 1.794 1.00 0.00 N ATOM 0 H ARG A 4 -8.431 -19.240 0.080 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.708 -19.230 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.511 -20.050 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.845 -20.382 0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.699 -22.409 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.075 -21.638 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.987 -21.243 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.613 -21.094 1.188 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.724 -23.541 -0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.762 -22.190 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.749 -23.677 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.715 -25.443 1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.597 -25.508 2.624 1.00 0.00 H new ATOM 68 N HIS A 5 -12.305 -17.837 0.014 1.00 0.00 N ATOM 69 CA HIS A 5 -13.034 -16.684 0.527 1.00 0.00 C ATOM 70 C HIS A 5 -14.127 -17.117 1.499 1.00 0.00 C ATOM 71 O HIS A 5 -15.202 -17.550 1.086 1.00 0.00 O ATOM 72 CB HIS A 5 -13.648 -15.888 -0.627 1.00 0.00 C ATOM 73 CG HIS A 5 -14.215 -14.567 -0.208 1.00 0.00 C ATOM 74 ND1 HIS A 5 -14.850 -13.709 -1.082 1.00 0.00 N ATOM 75 CD2 HIS A 5 -14.239 -13.957 1.000 1.00 0.00 C ATOM 76 CE1 HIS A 5 -15.239 -12.629 -0.429 1.00 0.00 C ATOM 77 NE2 HIS A 5 -14.883 -12.755 0.836 1.00 0.00 N ATOM 0 H HIS A 5 -12.884 -18.658 -0.163 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.328 -16.050 1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.886 -15.722 -1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.436 -16.483 -1.089 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.828 -14.343 1.921 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -15.760 -11.786 -0.857 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -15.058 -12.071 1.572 1.00 0.00 H new ATOM 86 N MET A 6 -13.843 -16.997 2.791 1.00 0.00 N ATOM 87 CA MET A 6 -14.802 -17.376 3.825 1.00 0.00 C ATOM 88 C MET A 6 -14.243 -17.091 5.214 1.00 0.00 C ATOM 89 O MET A 6 -13.324 -17.767 5.676 1.00 0.00 O ATOM 90 CB MET A 6 -15.159 -18.858 3.700 1.00 0.00 C ATOM 91 CG MET A 6 -16.602 -19.169 4.067 1.00 0.00 C ATOM 92 SD MET A 6 -16.854 -20.904 4.480 1.00 0.00 S ATOM 93 CE MET A 6 -18.474 -21.190 3.769 1.00 0.00 C ATOM 0 H MET A 6 -12.957 -16.640 3.149 1.00 0.00 H new ATOM 0 HA MET A 6 -15.704 -16.780 3.686 1.00 0.00 H new ATOM 0 HB2 MET A 6 -14.975 -19.182 2.676 1.00 0.00 H new ATOM 0 HB3 MET A 6 -14.496 -19.438 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 6 -16.899 -18.551 4.914 1.00 0.00 H new ATOM 0 HG3 MET A 6 -17.251 -18.900 3.234 1.00 0.00 H new ATOM 0 HE1 MET A 6 -18.770 -22.224 3.943 1.00 0.00 H new ATOM 0 HE2 MET A 6 -19.199 -20.522 4.234 1.00 0.00 H new ATOM 0 HE3 MET A 6 -18.440 -20.998 2.697 1.00 0.00 H new ATOM 103 N ALA A 7 -14.804 -16.085 5.879 1.00 0.00 N ATOM 104 CA ALA A 7 -14.360 -15.712 7.216 1.00 0.00 C ATOM 105 C ALA A 7 -15.234 -14.600 7.795 1.00 0.00 C ATOM 106 O ALA A 7 -15.977 -13.941 7.068 1.00 0.00 O ATOM 107 CB ALA A 7 -12.901 -15.279 7.184 1.00 0.00 C ATOM 0 H ALA A 7 -15.566 -15.515 5.513 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.455 -16.585 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.581 -15.003 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.285 -16.102 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.790 -14.422 6.520 1.00 0.00 H new ATOM 113 N PRO A 8 -15.156 -14.376 9.120 1.00 0.00 N ATOM 114 CA PRO A 8 -15.941 -13.338 9.795 1.00 0.00 C ATOM 115 C PRO A 8 -15.692 -11.952 9.208 1.00 0.00 C ATOM 116 O PRO A 8 -15.195 -11.821 8.090 1.00 0.00 O ATOM 117 CB PRO A 8 -15.466 -13.403 11.254 1.00 0.00 C ATOM 118 CG PRO A 8 -14.188 -14.172 11.223 1.00 0.00 C ATOM 119 CD PRO A 8 -14.299 -15.113 10.060 1.00 0.00 C ATOM 0 HA PRO A 8 -17.012 -13.506 9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.313 -12.404 11.662 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.205 -13.895 11.886 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.334 -13.505 11.105 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.039 -14.719 12.154 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.324 -15.337 9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.744 -16.064 10.351 1.00 0.00 H new ATOM 127 N THR A 9 -16.046 -10.916 9.969 1.00 0.00 N ATOM 128 CA THR A 9 -15.868 -9.534 9.526 1.00 0.00 C ATOM 129 C THR A 9 -14.495 -9.320 8.887 1.00 0.00 C ATOM 130 O THR A 9 -14.373 -9.270 7.663 1.00 0.00 O ATOM 131 CB THR A 9 -16.056 -8.575 10.703 1.00 0.00 C ATOM 132 OG1 THR A 9 -17.355 -8.708 11.253 1.00 0.00 O ATOM 133 CG2 THR A 9 -15.863 -7.120 10.332 1.00 0.00 C ATOM 0 H THR A 9 -16.459 -11.009 10.897 1.00 0.00 H new ATOM 0 HA THR A 9 -16.624 -9.328 8.768 1.00 0.00 H new ATOM 0 HB THR A 9 -15.288 -8.852 11.425 1.00 0.00 H new ATOM 0 HG1 THR A 9 -17.457 -8.088 12.005 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.011 -6.497 11.214 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.853 -6.973 9.949 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.586 -6.841 9.565 1.00 0.00 H new ATOM 141 N GLU A 10 -13.465 -9.192 9.719 1.00 0.00 N ATOM 142 CA GLU A 10 -12.109 -8.982 9.224 1.00 0.00 C ATOM 143 C GLU A 10 -11.104 -8.956 10.375 1.00 0.00 C ATOM 144 O GLU A 10 -11.432 -9.318 11.505 1.00 0.00 O ATOM 145 CB GLU A 10 -12.033 -7.675 8.432 1.00 0.00 C ATOM 146 CG GLU A 10 -12.239 -6.432 9.282 1.00 0.00 C ATOM 147 CD GLU A 10 -13.071 -5.376 8.580 1.00 0.00 C ATOM 148 OE1 GLU A 10 -13.949 -5.750 7.775 1.00 0.00 O ATOM 149 OE2 GLU A 10 -12.846 -4.175 8.838 1.00 0.00 O ATOM 0 H GLU A 10 -13.543 -9.230 10.735 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.855 -9.814 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.061 -7.613 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.786 -7.694 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.727 -6.712 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.268 -6.010 9.543 1.00 0.00 H new ATOM 156 N ASN A 11 -9.879 -8.525 10.079 1.00 0.00 N ATOM 157 CA ASN A 11 -8.822 -8.448 11.086 1.00 0.00 C ATOM 158 C ASN A 11 -8.297 -9.836 11.435 1.00 0.00 C ATOM 159 O ASN A 11 -8.629 -10.821 10.776 1.00 0.00 O ATOM 160 CB ASN A 11 -9.326 -7.746 12.351 1.00 0.00 C ATOM 161 CG ASN A 11 -10.133 -6.500 12.041 1.00 0.00 C ATOM 162 OD1 ASN A 11 -11.360 -6.545 11.956 1.00 0.00 O ATOM 163 ND2 ASN A 11 -9.445 -5.376 11.870 1.00 0.00 N ATOM 0 H ASN A 11 -9.593 -8.223 9.148 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.004 -7.864 10.663 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.940 -8.439 12.927 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.475 -7.478 12.977 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.934 -4.506 11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.428 -5.383 11.949 1.00 0.00 H new ATOM 170 N SER A 12 -7.475 -9.908 12.478 1.00 0.00 N ATOM 171 CA SER A 12 -6.900 -11.176 12.920 1.00 0.00 C ATOM 172 C SER A 12 -7.982 -12.241 13.092 1.00 0.00 C ATOM 173 O SER A 12 -7.713 -13.436 12.971 1.00 0.00 O ATOM 174 CB SER A 12 -6.142 -10.986 14.233 1.00 0.00 C ATOM 175 OG SER A 12 -5.125 -11.962 14.381 1.00 0.00 O ATOM 0 H SER A 12 -7.191 -9.102 13.034 1.00 0.00 H new ATOM 0 HA SER A 12 -6.205 -11.515 12.152 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.701 -9.990 14.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.837 -11.051 15.070 1.00 0.00 H new ATOM 0 HG SER A 12 -4.654 -11.818 15.228 1.00 0.00 H new ATOM 181 N THR A 13 -9.202 -11.800 13.378 1.00 0.00 N ATOM 182 CA THR A 13 -10.320 -12.716 13.569 1.00 0.00 C ATOM 183 C THR A 13 -10.939 -13.108 12.231 1.00 0.00 C ATOM 184 O THR A 13 -11.485 -14.203 12.086 1.00 0.00 O ATOM 185 CB THR A 13 -11.382 -12.078 14.467 1.00 0.00 C ATOM 186 OG1 THR A 13 -11.894 -10.896 13.877 1.00 0.00 O ATOM 187 CG2 THR A 13 -10.863 -11.716 15.842 1.00 0.00 C ATOM 0 H THR A 13 -9.442 -10.814 13.483 1.00 0.00 H new ATOM 0 HA THR A 13 -9.939 -13.617 14.050 1.00 0.00 H new ATOM 0 HB THR A 13 -12.160 -12.834 14.576 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.332 -10.641 13.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.666 -11.268 16.428 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.505 -12.615 16.344 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.044 -11.004 15.746 1.00 0.00 H new ATOM 195 N GLY A 14 -10.852 -12.209 11.255 1.00 0.00 N ATOM 196 CA GLY A 14 -11.412 -12.484 9.943 1.00 0.00 C ATOM 197 C GLY A 14 -10.469 -12.112 8.816 1.00 0.00 C ATOM 198 O GLY A 14 -10.002 -10.976 8.738 1.00 0.00 O ATOM 0 H GLY A 14 -10.405 -11.297 11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.657 -13.544 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.345 -11.933 9.828 1.00 0.00 H new ATOM 202 N VAL A 15 -10.192 -13.070 7.941 1.00 0.00 N ATOM 203 CA VAL A 15 -9.301 -12.839 6.809 1.00 0.00 C ATOM 204 C VAL A 15 -9.507 -13.892 5.724 1.00 0.00 C ATOM 205 O VAL A 15 -9.411 -15.091 5.984 1.00 0.00 O ATOM 206 CB VAL A 15 -7.822 -12.849 7.243 1.00 0.00 C ATOM 207 CG1 VAL A 15 -7.453 -11.537 7.918 1.00 0.00 C ATOM 208 CG2 VAL A 15 -7.540 -14.029 8.162 1.00 0.00 C ATOM 0 H VAL A 15 -10.571 -14.015 7.993 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.547 -11.855 6.410 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.204 -12.958 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.405 -11.564 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.611 -10.713 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.078 -11.393 8.799 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.491 -14.018 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.167 -13.956 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.760 -14.959 7.638 1.00 0.00 H new ATOM 218 N GLN A 16 -9.790 -13.435 4.510 1.00 0.00 N ATOM 219 CA GLN A 16 -10.010 -14.338 3.386 1.00 0.00 C ATOM 220 C GLN A 16 -8.751 -14.464 2.536 1.00 0.00 C ATOM 221 O GLN A 16 -7.779 -13.738 2.741 1.00 0.00 O ATOM 222 CB GLN A 16 -11.174 -13.846 2.524 1.00 0.00 C ATOM 223 CG GLN A 16 -11.007 -12.416 2.038 1.00 0.00 C ATOM 224 CD GLN A 16 -10.939 -12.319 0.525 1.00 0.00 C ATOM 225 OE1 GLN A 16 -9.909 -12.614 -0.081 1.00 0.00 O ATOM 226 NE2 GLN A 16 -12.039 -11.902 -0.092 1.00 0.00 N ATOM 0 H GLN A 16 -9.873 -12.445 4.278 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.257 -15.321 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.281 -14.504 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.098 -13.921 3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.840 -11.813 2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.098 -11.994 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.871 -11.668 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.052 -11.816 -1.108 1.00 0.00 H new ATOM 235 N ASP A 17 -8.778 -15.392 1.582 1.00 0.00 N ATOM 236 CA ASP A 17 -7.640 -15.626 0.695 1.00 0.00 C ATOM 237 C ASP A 17 -6.564 -16.448 1.404 1.00 0.00 C ATOM 238 O ASP A 17 -6.871 -17.234 2.298 1.00 0.00 O ATOM 239 CB ASP A 17 -7.064 -14.297 0.191 1.00 0.00 C ATOM 240 CG ASP A 17 -6.595 -14.384 -1.248 1.00 0.00 C ATOM 241 OD1 ASP A 17 -7.340 -14.939 -2.083 1.00 0.00 O ATOM 242 OD2 ASP A 17 -5.483 -13.896 -1.540 1.00 0.00 O ATOM 0 H ASP A 17 -9.579 -15.997 1.403 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.990 -16.194 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.822 -13.519 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.229 -14.001 0.826 1.00 0.00 H new ATOM 247 N CYS A 18 -5.306 -16.265 1.004 1.00 0.00 N ATOM 248 CA CYS A 18 -4.192 -16.985 1.608 1.00 0.00 C ATOM 249 C CYS A 18 -2.862 -16.346 1.209 1.00 0.00 C ATOM 250 O CYS A 18 -2.640 -16.034 0.039 1.00 0.00 O ATOM 251 CB CYS A 18 -4.200 -18.454 1.197 1.00 0.00 C ATOM 252 SG CYS A 18 -4.940 -19.575 2.427 1.00 0.00 S ATOM 0 H CYS A 18 -5.035 -15.621 0.261 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.307 -16.927 2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.745 -18.553 0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.175 -18.771 1.005 1.00 0.00 H new ATOM 257 N TYR A 19 -1.979 -16.163 2.184 1.00 0.00 N ATOM 258 CA TYR A 19 -0.674 -15.575 1.935 1.00 0.00 C ATOM 259 C TYR A 19 0.410 -16.648 2.022 1.00 0.00 C ATOM 260 O TYR A 19 0.117 -17.811 2.299 1.00 0.00 O ATOM 261 CB TYR A 19 -0.391 -14.441 2.929 1.00 0.00 C ATOM 262 CG TYR A 19 0.221 -14.882 4.243 1.00 0.00 C ATOM 263 CD1 TYR A 19 1.593 -15.049 4.372 1.00 0.00 C ATOM 264 CD2 TYR A 19 -0.577 -15.122 5.354 1.00 0.00 C ATOM 265 CE1 TYR A 19 2.154 -15.444 5.572 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.023 -15.516 6.556 1.00 0.00 C ATOM 267 CZ TYR A 19 1.341 -15.676 6.660 1.00 0.00 C ATOM 268 OH TYR A 19 1.897 -16.069 7.857 1.00 0.00 O ATOM 0 H TYR A 19 -2.147 -16.416 3.158 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.669 -15.153 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.278 -13.722 2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.325 -13.918 3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.233 -14.867 3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.647 -14.999 5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.223 -15.570 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.657 -15.698 7.411 1.00 0.00 H new ATOM 0 HH TYR A 19 1.554 -15.502 8.579 1.00 0.00 H new ATOM 278 N ARG A 20 1.656 -16.254 1.795 1.00 0.00 N ATOM 279 CA ARG A 20 2.770 -17.192 1.861 1.00 0.00 C ATOM 280 C ARG A 20 4.079 -16.459 2.137 1.00 0.00 C ATOM 281 O ARG A 20 4.632 -15.800 1.257 1.00 0.00 O ATOM 282 CB ARG A 20 2.871 -17.989 0.561 1.00 0.00 C ATOM 283 CG ARG A 20 1.597 -18.749 0.219 1.00 0.00 C ATOM 284 CD ARG A 20 1.820 -19.727 -0.923 1.00 0.00 C ATOM 285 NE ARG A 20 2.734 -20.804 -0.549 1.00 0.00 N ATOM 286 CZ ARG A 20 3.350 -21.591 -1.428 1.00 0.00 C ATOM 287 NH1 ARG A 20 3.153 -21.426 -2.731 1.00 0.00 N ATOM 288 NH2 ARG A 20 4.166 -22.547 -1.004 1.00 0.00 N ATOM 0 H ARG A 20 1.921 -15.296 1.565 1.00 0.00 H new ATOM 0 HA ARG A 20 2.586 -17.884 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.110 -17.309 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.697 -18.696 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.247 -19.289 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.813 -18.043 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.864 -20.152 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.221 -19.193 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 20 2.910 -20.962 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.527 -20.693 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.628 -22.032 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.321 -22.679 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.638 -23.150 -1.677 1.00 0.00 H new ATOM 302 N GLY A 21 4.561 -16.570 3.371 1.00 0.00 N ATOM 303 CA GLY A 21 5.794 -15.906 3.750 1.00 0.00 C ATOM 304 C GLY A 21 5.570 -14.449 4.097 1.00 0.00 C ATOM 305 O GLY A 21 4.529 -14.089 4.647 1.00 0.00 O ATOM 0 H GLY A 21 4.119 -17.109 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.234 -16.419 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.511 -15.978 2.932 1.00 0.00 H new ATOM 309 N ASP A 22 6.540 -13.603 3.771 1.00 0.00 N ATOM 310 CA ASP A 22 6.427 -12.178 4.050 1.00 0.00 C ATOM 311 C ASP A 22 5.776 -11.458 2.876 1.00 0.00 C ATOM 312 O ASP A 22 6.402 -10.634 2.210 1.00 0.00 O ATOM 313 CB ASP A 22 7.804 -11.575 4.339 1.00 0.00 C ATOM 314 CG ASP A 22 8.610 -12.411 5.311 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.069 -12.769 6.378 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.785 -12.709 5.007 1.00 0.00 O ATOM 0 H ASP A 22 7.410 -13.878 3.315 1.00 0.00 H new ATOM 0 HA ASP A 22 5.800 -12.050 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.357 -11.475 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.680 -10.571 4.744 1.00 0.00 H new ATOM 321 N GLY A 23 4.510 -11.779 2.625 1.00 0.00 N ATOM 322 CA GLY A 23 3.789 -11.158 1.527 1.00 0.00 C ATOM 323 C GLY A 23 3.780 -9.646 1.625 1.00 0.00 C ATOM 324 O GLY A 23 3.786 -8.949 0.610 1.00 0.00 O ATOM 0 H GLY A 23 3.970 -12.458 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.244 -11.456 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.763 -11.525 1.516 1.00 0.00 H new ATOM 328 N GLN A 24 3.767 -9.140 2.853 1.00 0.00 N ATOM 329 CA GLN A 24 3.759 -7.700 3.091 1.00 0.00 C ATOM 330 C GLN A 24 5.088 -7.072 2.686 1.00 0.00 C ATOM 331 O GLN A 24 5.143 -5.900 2.315 1.00 0.00 O ATOM 332 CB GLN A 24 3.478 -7.410 4.565 1.00 0.00 C ATOM 333 CG GLN A 24 4.468 -8.065 5.516 1.00 0.00 C ATOM 334 CD GLN A 24 5.807 -7.357 5.550 1.00 0.00 C ATOM 335 OE1 GLN A 24 5.906 -6.171 5.233 1.00 0.00 O ATOM 336 NE2 GLN A 24 6.847 -8.085 5.934 1.00 0.00 N ATOM 0 H GLN A 24 3.762 -9.706 3.701 1.00 0.00 H new ATOM 0 HA GLN A 24 2.969 -7.262 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.494 -6.332 4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.472 -7.753 4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.045 -8.080 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.618 -9.103 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.718 -9.064 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.776 -7.665 5.976 1.00 0.00 H new ATOM 345 N SER A 25 6.159 -7.857 2.766 1.00 0.00 N ATOM 346 CA SER A 25 7.491 -7.377 2.414 1.00 0.00 C ATOM 347 C SER A 25 7.561 -6.991 0.939 1.00 0.00 C ATOM 348 O SER A 25 8.085 -7.740 0.115 1.00 0.00 O ATOM 349 CB SER A 25 8.539 -8.448 2.723 1.00 0.00 C ATOM 350 OG SER A 25 9.843 -7.991 2.405 1.00 0.00 O ATOM 0 H SER A 25 6.130 -8.830 3.072 1.00 0.00 H new ATOM 0 HA SER A 25 7.699 -6.490 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.491 -8.715 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.318 -9.352 2.155 1.00 0.00 H new ATOM 0 HG SER A 25 10.495 -8.692 2.613 1.00 0.00 H new ATOM 356 N TYR A 26 7.030 -5.815 0.616 1.00 0.00 N ATOM 357 CA TYR A 26 7.031 -5.323 -0.759 1.00 0.00 C ATOM 358 C TYR A 26 6.513 -6.385 -1.727 1.00 0.00 C ATOM 359 O TYR A 26 7.281 -6.973 -2.488 1.00 0.00 O ATOM 360 CB TYR A 26 8.441 -4.890 -1.165 1.00 0.00 C ATOM 361 CG TYR A 26 8.861 -3.563 -0.576 1.00 0.00 C ATOM 362 CD1 TYR A 26 8.002 -2.471 -0.590 1.00 0.00 C ATOM 363 CD2 TYR A 26 10.118 -3.399 -0.006 1.00 0.00 C ATOM 364 CE1 TYR A 26 8.381 -1.256 -0.052 1.00 0.00 C ATOM 365 CE2 TYR A 26 10.505 -2.188 0.534 1.00 0.00 C ATOM 366 CZ TYR A 26 9.634 -1.119 0.508 1.00 0.00 C ATOM 367 OH TYR A 26 10.016 0.089 1.045 1.00 0.00 O ATOM 0 H TYR A 26 6.593 -5.184 1.288 1.00 0.00 H new ATOM 0 HA TYR A 26 6.363 -4.463 -0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.151 -5.657 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.494 -4.828 -2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.021 -2.574 -1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.804 -4.233 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.700 -0.418 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.485 -2.079 0.974 1.00 0.00 H new ATOM 0 HH TYR A 26 10.927 0.016 1.399 1.00 0.00 H new ATOM 377 N ARG A 27 5.207 -6.625 -1.692 1.00 0.00 N ATOM 378 CA ARG A 27 4.588 -7.614 -2.566 1.00 0.00 C ATOM 379 C ARG A 27 3.069 -7.600 -2.421 1.00 0.00 C ATOM 380 O ARG A 27 2.543 -7.378 -1.331 1.00 0.00 O ATOM 381 CB ARG A 27 5.129 -9.011 -2.252 1.00 0.00 C ATOM 382 CG ARG A 27 5.069 -9.966 -3.434 1.00 0.00 C ATOM 383 CD ARG A 27 6.378 -9.979 -4.206 1.00 0.00 C ATOM 384 NE ARG A 27 7.228 -11.106 -3.827 1.00 0.00 N ATOM 385 CZ ARG A 27 8.396 -11.380 -4.403 1.00 0.00 C ATOM 386 NH1 ARG A 27 8.856 -10.614 -5.384 1.00 0.00 N ATOM 387 NH2 ARG A 27 9.104 -12.425 -3.998 1.00 0.00 N ATOM 0 H ARG A 27 4.557 -6.148 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 27 4.837 -7.356 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.163 -8.925 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.560 -9.434 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.844 -10.972 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.256 -9.673 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.168 -10.027 -5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.913 -9.046 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 27 6.907 -11.718 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.314 -9.810 -5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.752 -10.829 -5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.753 -13.018 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.999 -12.636 -4.439 1.00 0.00 H new ATOM 401 N GLY A 28 2.371 -7.838 -3.527 1.00 0.00 N ATOM 402 CA GLY A 28 0.921 -7.849 -3.502 1.00 0.00 C ATOM 403 C GLY A 28 0.315 -6.871 -4.490 1.00 0.00 C ATOM 404 O GLY A 28 0.027 -5.726 -4.143 1.00 0.00 O ATOM 0 H GLY A 28 2.785 -8.024 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.565 -8.854 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.576 -7.605 -2.497 1.00 0.00 H new ATOM 408 N THR A 29 0.121 -7.324 -5.725 1.00 0.00 N ATOM 409 CA THR A 29 -0.454 -6.480 -6.766 1.00 0.00 C ATOM 410 C THR A 29 -1.951 -6.738 -6.915 1.00 0.00 C ATOM 411 O THR A 29 -2.519 -6.543 -7.990 1.00 0.00 O ATOM 412 CB THR A 29 0.251 -6.730 -8.100 1.00 0.00 C ATOM 413 OG1 THR A 29 0.160 -8.094 -8.469 1.00 0.00 O ATOM 414 CG2 THR A 29 1.718 -6.357 -8.078 1.00 0.00 C ATOM 0 H THR A 29 0.353 -8.270 -6.029 1.00 0.00 H new ATOM 0 HA THR A 29 -0.311 -5.440 -6.474 1.00 0.00 H new ATOM 0 HB THR A 29 -0.260 -6.092 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.616 -8.232 -9.326 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.159 -6.559 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.820 -5.297 -7.845 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.232 -6.946 -7.319 1.00 0.00 H new ATOM 422 N LEU A 30 -2.586 -7.171 -5.832 1.00 0.00 N ATOM 423 CA LEU A 30 -4.019 -7.450 -5.846 1.00 0.00 C ATOM 424 C LEU A 30 -4.818 -6.172 -5.608 1.00 0.00 C ATOM 425 O LEU A 30 -5.935 -6.026 -6.104 1.00 0.00 O ATOM 426 CB LEU A 30 -4.368 -8.504 -4.790 1.00 0.00 C ATOM 427 CG LEU A 30 -3.305 -9.590 -4.570 1.00 0.00 C ATOM 428 CD1 LEU A 30 -3.897 -10.778 -3.822 1.00 0.00 C ATOM 429 CD2 LEU A 30 -2.711 -10.040 -5.899 1.00 0.00 C ATOM 0 H LEU A 30 -2.133 -7.337 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.283 -7.842 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.549 -7.998 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.302 -8.986 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.506 -9.165 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.128 -11.536 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.270 -10.448 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.718 -11.201 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.960 -10.810 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.501 -10.444 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.246 -9.189 -6.397 1.00 0.00 H new ATOM 441 N SER A 31 -4.232 -5.247 -4.855 1.00 0.00 N ATOM 442 CA SER A 31 -4.879 -3.971 -4.558 1.00 0.00 C ATOM 443 C SER A 31 -6.253 -4.177 -3.921 1.00 0.00 C ATOM 444 O SER A 31 -7.243 -3.582 -4.347 1.00 0.00 O ATOM 445 CB SER A 31 -5.013 -3.140 -5.838 1.00 0.00 C ATOM 446 OG SER A 31 -4.428 -1.860 -5.682 1.00 0.00 O ATOM 0 H SER A 31 -3.308 -5.356 -4.438 1.00 0.00 H new ATOM 0 HA SER A 31 -4.254 -3.436 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.534 -3.663 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.067 -3.032 -6.096 1.00 0.00 H new ATOM 0 HG SER A 31 -4.574 -1.543 -4.766 1.00 0.00 H new ATOM 452 N THR A 32 -6.307 -5.017 -2.895 1.00 0.00 N ATOM 453 CA THR A 32 -7.560 -5.290 -2.201 1.00 0.00 C ATOM 454 C THR A 32 -7.355 -5.286 -0.690 1.00 0.00 C ATOM 455 O THR A 32 -6.298 -4.888 -0.200 1.00 0.00 O ATOM 456 CB THR A 32 -8.137 -6.632 -2.648 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.615 -7.007 -3.911 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.648 -6.626 -2.760 1.00 0.00 C ATOM 0 H THR A 32 -5.500 -5.520 -2.525 1.00 0.00 H new ATOM 0 HA THR A 32 -8.267 -4.500 -2.456 1.00 0.00 H new ATOM 0 HB THR A 32 -7.848 -7.343 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.995 -7.869 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.993 -7.609 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.084 -6.388 -1.790 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.956 -5.877 -3.490 1.00 0.00 H new ATOM 466 N THR A 33 -8.369 -5.731 0.043 1.00 0.00 N ATOM 467 CA THR A 33 -8.294 -5.779 1.496 1.00 0.00 C ATOM 468 C THR A 33 -8.832 -7.101 2.033 1.00 0.00 C ATOM 469 O THR A 33 -8.067 -8.018 2.332 1.00 0.00 O ATOM 470 CB THR A 33 -9.071 -4.619 2.119 1.00 0.00 C ATOM 471 OG1 THR A 33 -10.417 -4.622 1.681 1.00 0.00 O ATOM 472 CG2 THR A 33 -8.484 -3.266 1.797 1.00 0.00 C ATOM 0 H THR A 33 -9.252 -6.063 -0.346 1.00 0.00 H new ATOM 0 HA THR A 33 -7.243 -5.692 1.771 1.00 0.00 H new ATOM 0 HB THR A 33 -9.009 -4.776 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.444 -4.535 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.083 -2.488 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.462 -3.215 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.483 -3.118 0.717 1.00 0.00 H new ATOM 480 N ILE A 34 -10.152 -7.189 2.167 1.00 0.00 N ATOM 481 CA ILE A 34 -10.782 -8.392 2.685 1.00 0.00 C ATOM 482 C ILE A 34 -12.093 -8.694 1.958 1.00 0.00 C ATOM 483 O ILE A 34 -12.376 -9.845 1.624 1.00 0.00 O ATOM 484 CB ILE A 34 -11.028 -8.270 4.210 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.649 -9.571 4.914 1.00 0.00 C ATOM 486 CG2 ILE A 34 -12.472 -7.889 4.521 1.00 0.00 C ATOM 487 CD1 ILE A 34 -9.216 -9.598 5.397 1.00 0.00 C ATOM 0 H ILE A 34 -10.802 -6.442 1.924 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.099 -9.223 2.506 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.393 -7.468 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.314 -9.722 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.810 -10.405 4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.604 -7.813 5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.703 -6.929 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.143 -8.652 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.015 -10.551 5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.543 -9.478 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.055 -8.785 6.105 1.00 0.00 H new ATOM 499 N THR A 35 -12.891 -7.657 1.717 1.00 0.00 N ATOM 500 CA THR A 35 -14.168 -7.826 1.034 1.00 0.00 C ATOM 501 C THR A 35 -14.184 -7.086 -0.299 1.00 0.00 C ATOM 502 O THR A 35 -15.214 -6.547 -0.709 1.00 0.00 O ATOM 503 CB THR A 35 -15.312 -7.331 1.920 1.00 0.00 C ATOM 504 OG1 THR A 35 -15.248 -7.931 3.201 1.00 0.00 O ATOM 505 CG2 THR A 35 -16.682 -7.619 1.345 1.00 0.00 C ATOM 0 H THR A 35 -12.677 -6.696 1.983 1.00 0.00 H new ATOM 0 HA THR A 35 -14.303 -8.889 0.835 1.00 0.00 H new ATOM 0 HB THR A 35 -15.183 -6.250 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.987 -7.601 3.754 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.448 -7.242 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.781 -7.128 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 35 -16.806 -8.695 1.220 1.00 0.00 H new ATOM 513 N GLY A 36 -13.042 -7.066 -0.975 1.00 0.00 N ATOM 514 CA GLY A 36 -12.954 -6.395 -2.258 1.00 0.00 C ATOM 515 C GLY A 36 -12.468 -4.964 -2.139 1.00 0.00 C ATOM 516 O GLY A 36 -11.891 -4.419 -3.080 1.00 0.00 O ATOM 0 H GLY A 36 -12.176 -7.502 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.278 -6.951 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.934 -6.403 -2.735 1.00 0.00 H new ATOM 520 N ARG A 37 -12.700 -4.351 -0.982 1.00 0.00 N ATOM 521 CA ARG A 37 -12.277 -2.974 -0.752 1.00 0.00 C ATOM 522 C ARG A 37 -10.782 -2.820 -1.010 1.00 0.00 C ATOM 523 O ARG A 37 -9.970 -3.579 -0.483 1.00 0.00 O ATOM 524 CB ARG A 37 -12.611 -2.548 0.680 1.00 0.00 C ATOM 525 CG ARG A 37 -14.099 -2.578 0.992 1.00 0.00 C ATOM 526 CD ARG A 37 -14.447 -3.698 1.959 1.00 0.00 C ATOM 527 NE ARG A 37 -15.889 -3.892 2.078 1.00 0.00 N ATOM 528 CZ ARG A 37 -16.683 -3.114 2.811 1.00 0.00 C ATOM 529 NH1 ARG A 37 -16.180 -2.093 3.493 1.00 0.00 N ATOM 530 NH2 ARG A 37 -17.986 -3.360 2.864 1.00 0.00 N ATOM 0 H ARG A 37 -13.177 -4.785 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.816 -2.330 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.089 -3.204 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.233 -1.539 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.401 -1.622 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.662 -2.707 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.984 -4.625 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.030 -3.472 2.940 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.313 -4.668 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.179 -1.900 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.794 -1.501 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.378 -4.145 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.595 -2.765 3.425 1.00 0.00 H new ATOM 544 N THR A 38 -10.425 -1.843 -1.835 1.00 0.00 N ATOM 545 CA THR A 38 -9.026 -1.604 -2.169 1.00 0.00 C ATOM 546 C THR A 38 -8.231 -1.175 -0.949 1.00 0.00 C ATOM 547 O THR A 38 -8.736 -1.159 0.170 1.00 0.00 O ATOM 548 CB THR A 38 -8.902 -0.528 -3.247 1.00 0.00 C ATOM 549 OG1 THR A 38 -9.337 0.738 -2.758 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.702 -0.835 -4.493 1.00 0.00 C ATOM 0 H THR A 38 -11.082 -1.205 -2.284 1.00 0.00 H new ATOM 0 HA THR A 38 -8.621 -2.544 -2.543 1.00 0.00 H new ATOM 0 HB THR A 38 -7.844 -0.506 -3.507 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.778 1.446 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.570 -0.031 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.356 -1.774 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.758 -0.921 -4.236 1.00 0.00 H new ATOM 558 N CYS A 39 -6.980 -0.816 -1.190 1.00 0.00 N ATOM 559 CA CYS A 39 -6.089 -0.365 -0.135 1.00 0.00 C ATOM 560 C CYS A 39 -6.026 1.163 -0.088 1.00 0.00 C ATOM 561 O CYS A 39 -5.623 1.743 0.919 1.00 0.00 O ATOM 562 CB CYS A 39 -4.688 -0.935 -0.359 1.00 0.00 C ATOM 563 SG CYS A 39 -3.387 -0.151 0.654 1.00 0.00 S ATOM 0 H CYS A 39 -6.556 -0.829 -2.118 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.479 -0.722 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.705 -2.004 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.428 -0.825 -1.412 1.00 0.00 H new ATOM 568 N GLN A 40 -6.405 1.810 -1.189 1.00 0.00 N ATOM 569 CA GLN A 40 -6.364 3.266 -1.268 1.00 0.00 C ATOM 570 C GLN A 40 -4.926 3.748 -1.204 1.00 0.00 C ATOM 571 O GLN A 40 -4.233 3.538 -0.208 1.00 0.00 O ATOM 572 CB GLN A 40 -7.180 3.898 -0.138 1.00 0.00 C ATOM 573 CG GLN A 40 -8.162 4.953 -0.621 1.00 0.00 C ATOM 574 CD GLN A 40 -7.470 6.206 -1.120 1.00 0.00 C ATOM 575 OE1 GLN A 40 -7.531 6.532 -2.306 1.00 0.00 O ATOM 576 NE2 GLN A 40 -6.808 6.918 -0.215 1.00 0.00 N ATOM 0 H GLN A 40 -6.742 1.350 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.803 3.571 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.728 3.115 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.499 4.349 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.773 4.536 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.838 5.215 0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.784 6.611 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.324 7.772 -0.492 1.00 0.00 H new ATOM 585 N SER A 41 -4.477 4.388 -2.279 1.00 0.00 N ATOM 586 CA SER A 41 -3.114 4.892 -2.349 1.00 0.00 C ATOM 587 C SER A 41 -2.740 5.624 -1.067 1.00 0.00 C ATOM 588 O SER A 41 -3.607 6.102 -0.335 1.00 0.00 O ATOM 589 CB SER A 41 -2.948 5.819 -3.557 1.00 0.00 C ATOM 590 OG SER A 41 -1.896 6.747 -3.354 1.00 0.00 O ATOM 0 H SER A 41 -5.038 4.569 -3.112 1.00 0.00 H new ATOM 0 HA SER A 41 -2.443 4.041 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.745 5.225 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.879 6.356 -3.737 1.00 0.00 H new ATOM 0 HG SER A 41 -1.812 7.324 -4.142 1.00 0.00 H new ATOM 596 N TRP A 42 -1.445 5.713 -0.807 1.00 0.00 N ATOM 597 CA TRP A 42 -0.953 6.393 0.382 1.00 0.00 C ATOM 598 C TRP A 42 -0.734 7.878 0.092 1.00 0.00 C ATOM 599 O TRP A 42 -0.123 8.593 0.885 1.00 0.00 O ATOM 600 CB TRP A 42 0.347 5.744 0.871 1.00 0.00 C ATOM 601 CG TRP A 42 0.346 4.243 0.768 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.356 3.502 -0.378 1.00 0.00 C ATOM 603 CD2 TRP A 42 0.334 3.303 1.849 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.343 2.163 -0.080 1.00 0.00 N ATOM 605 CE2 TRP A 42 0.331 2.013 1.281 1.00 0.00 C ATOM 606 CE3 TRP A 42 0.324 3.422 3.240 1.00 0.00 C ATOM 607 CZ2 TRP A 42 0.319 0.857 2.055 1.00 0.00 C ATOM 608 CZ3 TRP A 42 0.312 2.272 4.007 1.00 0.00 C ATOM 609 CH2 TRP A 42 0.308 1.006 3.414 1.00 0.00 C ATOM 0 H TRP A 42 -0.715 5.323 -1.403 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.701 6.300 1.169 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.181 6.139 0.291 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.517 6.029 1.909 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.372 3.911 -1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.342 1.403 -0.761 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.326 4.395 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.318 -0.122 1.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.306 2.353 5.084 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.296 0.128 4.042 1.00 0.00 H new ATOM 620 N SER A 43 -1.243 8.330 -1.054 1.00 0.00 N ATOM 621 CA SER A 43 -1.115 9.724 -1.459 1.00 0.00 C ATOM 622 C SER A 43 -2.425 10.250 -2.056 1.00 0.00 C ATOM 623 O SER A 43 -2.472 11.369 -2.565 1.00 0.00 O ATOM 624 CB SER A 43 0.016 9.872 -2.482 1.00 0.00 C ATOM 625 OG SER A 43 1.134 10.529 -1.913 1.00 0.00 O ATOM 0 H SER A 43 -1.750 7.746 -1.719 1.00 0.00 H new ATOM 0 HA SER A 43 -0.882 10.313 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.314 8.888 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.341 10.435 -3.344 1.00 0.00 H new ATOM 0 HG SER A 43 1.048 11.496 -2.047 1.00 0.00 H new ATOM 631 N SER A 44 -3.489 9.443 -1.988 1.00 0.00 N ATOM 632 CA SER A 44 -4.786 9.849 -2.520 1.00 0.00 C ATOM 633 C SER A 44 -5.597 10.589 -1.458 1.00 0.00 C ATOM 634 O SER A 44 -6.470 10.007 -0.812 1.00 0.00 O ATOM 635 CB SER A 44 -5.565 8.630 -3.016 1.00 0.00 C ATOM 636 OG SER A 44 -5.205 7.466 -2.292 1.00 0.00 O ATOM 0 H SER A 44 -3.474 8.512 -1.572 1.00 0.00 H new ATOM 0 HA SER A 44 -4.613 10.523 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.635 8.811 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.370 8.477 -4.077 1.00 0.00 H new ATOM 0 HG SER A 44 -5.580 6.676 -2.735 1.00 0.00 H new ATOM 642 N MET A 45 -5.295 11.871 -1.278 1.00 0.00 N ATOM 643 CA MET A 45 -5.985 12.690 -0.286 1.00 0.00 C ATOM 644 C MET A 45 -7.189 13.394 -0.902 1.00 0.00 C ATOM 645 O MET A 45 -7.071 14.498 -1.433 1.00 0.00 O ATOM 646 CB MET A 45 -5.020 13.721 0.309 1.00 0.00 C ATOM 647 CG MET A 45 -5.187 13.931 1.807 1.00 0.00 C ATOM 648 SD MET A 45 -4.373 12.656 2.791 1.00 0.00 S ATOM 649 CE MET A 45 -2.743 13.370 3.015 1.00 0.00 C ATOM 0 H MET A 45 -4.577 12.366 -1.806 1.00 0.00 H new ATOM 0 HA MET A 45 -6.342 12.035 0.508 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.997 13.404 0.109 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.164 14.674 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.783 14.906 2.079 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.249 13.947 2.050 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.213 12.828 3.798 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.183 13.299 2.082 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.841 14.417 3.301 1.00 0.00 H new ATOM 659 N THR A 46 -8.349 12.749 -0.824 1.00 0.00 N ATOM 660 CA THR A 46 -9.578 13.313 -1.371 1.00 0.00 C ATOM 661 C THR A 46 -10.800 12.837 -0.582 1.00 0.00 C ATOM 662 O THR A 46 -11.448 13.631 0.100 1.00 0.00 O ATOM 663 CB THR A 46 -9.723 12.951 -2.852 1.00 0.00 C ATOM 664 OG1 THR A 46 -8.847 11.893 -3.200 1.00 0.00 O ATOM 665 CG2 THR A 46 -9.433 14.110 -3.781 1.00 0.00 C ATOM 0 H THR A 46 -8.463 11.835 -0.387 1.00 0.00 H new ATOM 0 HA THR A 46 -9.519 14.398 -1.282 1.00 0.00 H new ATOM 0 HB THR A 46 -10.765 12.657 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.213 11.404 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.554 13.787 -4.815 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.126 14.925 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.410 14.454 -3.625 1.00 0.00 H new ATOM 673 N PRO A 47 -11.136 11.534 -0.659 1.00 0.00 N ATOM 674 CA PRO A 47 -12.288 10.980 0.060 1.00 0.00 C ATOM 675 C PRO A 47 -12.044 10.898 1.563 1.00 0.00 C ATOM 676 O PRO A 47 -12.896 11.284 2.363 1.00 0.00 O ATOM 677 CB PRO A 47 -12.437 9.579 -0.536 1.00 0.00 C ATOM 678 CG PRO A 47 -11.069 9.216 -0.998 1.00 0.00 C ATOM 679 CD PRO A 47 -10.427 10.502 -1.444 1.00 0.00 C ATOM 0 HA PRO A 47 -13.177 11.601 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -12.805 8.870 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.148 9.574 -1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.496 8.752 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.111 8.497 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.356 10.508 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.548 10.660 -2.516 1.00 0.00 H new ATOM 687 N HIS A 48 -10.871 10.400 1.940 1.00 0.00 N ATOM 688 CA HIS A 48 -10.507 10.273 3.346 1.00 0.00 C ATOM 689 C HIS A 48 -8.998 10.390 3.524 1.00 0.00 C ATOM 690 O HIS A 48 -8.228 10.000 2.646 1.00 0.00 O ATOM 691 CB HIS A 48 -11.002 8.939 3.909 1.00 0.00 C ATOM 692 CG HIS A 48 -10.611 7.755 3.081 1.00 0.00 C ATOM 693 ND1 HIS A 48 -9.500 6.984 3.348 1.00 0.00 N ATOM 694 CD2 HIS A 48 -11.193 7.207 1.988 1.00 0.00 C ATOM 695 CE1 HIS A 48 -9.415 6.014 2.454 1.00 0.00 C ATOM 696 NE2 HIS A 48 -10.431 6.127 1.619 1.00 0.00 N ATOM 0 H HIS A 48 -10.155 10.077 1.289 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.985 11.084 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.609 8.812 4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.088 8.970 3.992 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.090 7.555 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.645 5.258 2.414 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.619 5.511 0.828 1.00 0.00 H new ATOM 705 N TRP A 49 -8.580 10.935 4.662 1.00 0.00 N ATOM 706 CA TRP A 49 -7.162 11.110 4.949 1.00 0.00 C ATOM 707 C TRP A 49 -6.469 9.767 5.158 1.00 0.00 C ATOM 708 O TRP A 49 -6.507 9.199 6.249 1.00 0.00 O ATOM 709 CB TRP A 49 -6.974 11.993 6.184 1.00 0.00 C ATOM 710 CG TRP A 49 -6.606 13.408 5.850 1.00 0.00 C ATOM 711 CD1 TRP A 49 -7.456 14.413 5.491 1.00 0.00 C ATOM 712 CD2 TRP A 49 -5.290 13.973 5.842 1.00 0.00 C ATOM 713 NE1 TRP A 49 -6.751 15.569 5.261 1.00 0.00 N ATOM 714 CE2 TRP A 49 -5.421 15.325 5.471 1.00 0.00 C ATOM 715 CE3 TRP A 49 -4.014 13.471 6.113 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -4.328 16.177 5.362 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -2.926 14.319 6.006 1.00 0.00 C ATOM 718 CH2 TRP A 49 -3.090 15.659 5.634 1.00 0.00 C ATOM 0 H TRP A 49 -9.203 11.263 5.400 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.706 11.598 4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.895 11.992 6.767 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.197 11.562 6.816 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.528 14.314 5.401 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.153 16.463 4.980 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.880 12.439 6.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.451 17.210 5.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.935 13.942 6.212 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.222 16.297 5.560 1.00 0.00 H new ATOM 729 N HIS A 50 -5.828 9.269 4.103 1.00 0.00 N ATOM 730 CA HIS A 50 -5.114 7.998 4.166 1.00 0.00 C ATOM 731 C HIS A 50 -4.025 8.054 5.239 1.00 0.00 C ATOM 732 O HIS A 50 -4.040 8.938 6.096 1.00 0.00 O ATOM 733 CB HIS A 50 -4.506 7.671 2.800 1.00 0.00 C ATOM 734 CG HIS A 50 -3.832 8.843 2.165 1.00 0.00 C ATOM 735 ND1 HIS A 50 -4.271 9.418 0.995 1.00 0.00 N ATOM 736 CD2 HIS A 50 -2.758 9.565 2.557 1.00 0.00 C ATOM 737 CE1 HIS A 50 -3.496 10.444 0.697 1.00 0.00 C ATOM 738 NE2 HIS A 50 -2.572 10.556 1.627 1.00 0.00 N ATOM 0 H HIS A 50 -5.789 9.728 3.193 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.818 7.210 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.785 6.862 2.914 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -5.291 7.307 2.137 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -5.069 9.101 0.445 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.158 9.393 3.439 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.602 11.085 -0.166 1.00 0.00 H new ATOM 747 N ARG A 51 -3.092 7.106 5.208 1.00 0.00 N ATOM 748 CA ARG A 51 -2.025 7.067 6.198 1.00 0.00 C ATOM 749 C ARG A 51 -0.717 7.634 5.658 1.00 0.00 C ATOM 750 O ARG A 51 -0.210 7.190 4.629 1.00 0.00 O ATOM 751 CB ARG A 51 -1.818 5.632 6.697 1.00 0.00 C ATOM 752 CG ARG A 51 -0.958 4.772 5.777 1.00 0.00 C ATOM 753 CD ARG A 51 0.517 4.821 6.165 1.00 0.00 C ATOM 754 NE ARG A 51 0.714 4.858 7.614 1.00 0.00 N ATOM 755 CZ ARG A 51 0.455 3.837 8.428 1.00 0.00 C ATOM 756 NH1 ARG A 51 -0.011 2.693 7.943 1.00 0.00 N ATOM 757 NH2 ARG A 51 0.665 3.959 9.731 1.00 0.00 N ATOM 0 H ARG A 51 -3.055 6.361 4.513 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.331 7.699 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.356 5.665 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.791 5.156 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.308 3.740 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.074 5.113 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.027 3.949 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.978 5.701 5.716 1.00 0.00 H new ATOM 0 HE ARG A 51 1.072 5.720 8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.173 2.592 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.207 1.915 8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.025 4.835 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.467 3.177 10.355 1.00 0.00 H new ATOM 771 N ARG A 52 -0.178 8.616 6.379 1.00 0.00 N ATOM 772 CA ARG A 52 1.079 9.260 6.006 1.00 0.00 C ATOM 773 C ARG A 52 1.084 9.665 4.536 1.00 0.00 C ATOM 774 O ARG A 52 0.144 9.378 3.798 1.00 0.00 O ATOM 775 CB ARG A 52 2.260 8.330 6.295 1.00 0.00 C ATOM 776 CG ARG A 52 2.906 8.572 7.650 1.00 0.00 C ATOM 777 CD ARG A 52 3.888 7.467 8.004 1.00 0.00 C ATOM 778 NE ARG A 52 5.272 7.864 7.756 1.00 0.00 N ATOM 779 CZ ARG A 52 5.974 8.650 8.569 1.00 0.00 C ATOM 780 NH1 ARG A 52 5.428 9.124 9.681 1.00 0.00 N ATOM 781 NH2 ARG A 52 7.228 8.961 8.268 1.00 0.00 N ATOM 0 H ARG A 52 -0.597 8.985 7.232 1.00 0.00 H new ATOM 0 HA ARG A 52 1.178 10.164 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.919 7.296 6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.011 8.457 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.424 9.531 7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.134 8.633 8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.770 7.200 9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.656 6.576 7.421 1.00 0.00 H new ATOM 0 HE ARG A 52 5.727 7.519 6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.465 8.887 9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.972 9.726 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.653 8.598 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.767 9.563 8.890 1.00 0.00 H new ATOM 795 N ILE A 53 2.154 10.330 4.121 1.00 0.00 N ATOM 796 CA ILE A 53 2.289 10.769 2.742 1.00 0.00 C ATOM 797 C ILE A 53 3.740 11.006 2.378 1.00 0.00 C ATOM 798 O ILE A 53 4.599 11.133 3.249 1.00 0.00 O ATOM 799 CB ILE A 53 1.496 12.056 2.460 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.956 13.198 3.358 1.00 0.00 C ATOM 801 CG2 ILE A 53 0.022 11.791 2.638 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.909 14.550 2.685 1.00 0.00 C ATOM 0 H ILE A 53 2.941 10.577 4.722 1.00 0.00 H new ATOM 0 HA ILE A 53 1.882 9.964 2.130 1.00 0.00 H new ATOM 0 HB ILE A 53 1.681 12.360 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.330 13.223 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.976 13.001 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.539 12.704 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.294 11.012 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.168 11.465 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.250 15.315 3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.557 14.543 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.886 14.768 2.378 1.00 0.00 H new ATOM 814 N PRO A 54 4.018 11.064 1.072 1.00 0.00 N ATOM 815 CA PRO A 54 5.367 11.289 0.531 1.00 0.00 C ATOM 816 C PRO A 54 6.016 12.576 1.046 1.00 0.00 C ATOM 817 O PRO A 54 6.305 13.487 0.271 1.00 0.00 O ATOM 818 CB PRO A 54 5.104 11.392 -0.978 1.00 0.00 C ATOM 819 CG PRO A 54 3.663 11.727 -1.080 1.00 0.00 C ATOM 820 CD PRO A 54 3.035 10.911 -0.011 1.00 0.00 C ATOM 0 HA PRO A 54 6.061 10.501 0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.724 12.162 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.331 10.454 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.488 12.792 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.262 11.477 -2.062 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.051 11.286 0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.907 9.870 -0.308 1.00 0.00 H new ATOM 828 N LEU A 55 6.250 12.644 2.353 1.00 0.00 N ATOM 829 CA LEU A 55 6.871 13.818 2.957 1.00 0.00 C ATOM 830 C LEU A 55 7.566 13.461 4.268 1.00 0.00 C ATOM 831 O LEU A 55 8.687 13.901 4.526 1.00 0.00 O ATOM 832 CB LEU A 55 5.826 14.907 3.205 1.00 0.00 C ATOM 833 CG LEU A 55 5.199 15.503 1.945 1.00 0.00 C ATOM 834 CD1 LEU A 55 4.132 16.524 2.313 1.00 0.00 C ATOM 835 CD2 LEU A 55 6.265 16.138 1.061 1.00 0.00 C ATOM 0 H LEU A 55 6.019 11.901 3.013 1.00 0.00 H new ATOM 0 HA LEU A 55 7.621 14.193 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.032 14.492 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.290 15.711 3.776 1.00 0.00 H new ATOM 0 HG LEU A 55 4.727 14.697 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.696 16.938 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.353 16.040 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.582 17.326 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.797 16.556 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.769 16.932 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.993 15.381 0.768 1.00 0.00 H new ATOM 847 N TYR A 56 6.894 12.667 5.096 1.00 0.00 N ATOM 848 CA TYR A 56 7.451 12.260 6.384 1.00 0.00 C ATOM 849 C TYR A 56 8.375 11.057 6.224 1.00 0.00 C ATOM 850 O TYR A 56 9.336 10.901 6.975 1.00 0.00 O ATOM 851 CB TYR A 56 6.333 11.930 7.380 1.00 0.00 C ATOM 852 CG TYR A 56 5.024 12.630 7.092 1.00 0.00 C ATOM 853 CD1 TYR A 56 4.793 13.928 7.532 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.021 11.994 6.375 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.598 14.568 7.266 1.00 0.00 C ATOM 856 CE2 TYR A 56 2.826 12.625 6.105 1.00 0.00 C ATOM 857 CZ TYR A 56 2.618 13.913 6.550 1.00 0.00 C ATOM 858 OH TYR A 56 1.426 14.547 6.283 1.00 0.00 O ATOM 0 H TYR A 56 5.966 12.293 4.900 1.00 0.00 H new ATOM 0 HA TYR A 56 8.033 13.096 6.772 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.165 10.853 7.378 1.00 0.00 H new ATOM 0 HB3 TYR A 56 6.664 12.199 8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.560 14.444 8.091 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.180 10.986 6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.432 15.576 7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.056 12.113 5.547 1.00 0.00 H new ATOM 0 HH TYR A 56 1.577 15.513 6.217 1.00 0.00 H new ATOM 868 N TYR A 57 8.078 10.207 5.245 1.00 0.00 N ATOM 869 CA TYR A 57 8.892 9.021 4.999 1.00 0.00 C ATOM 870 C TYR A 57 9.760 9.208 3.755 1.00 0.00 C ATOM 871 O TYR A 57 9.423 9.986 2.863 1.00 0.00 O ATOM 872 CB TYR A 57 8.005 7.777 4.864 1.00 0.00 C ATOM 873 CG TYR A 57 7.315 7.638 3.523 1.00 0.00 C ATOM 874 CD1 TYR A 57 6.247 8.458 3.179 1.00 0.00 C ATOM 875 CD2 TYR A 57 7.731 6.681 2.605 1.00 0.00 C ATOM 876 CE1 TYR A 57 5.616 8.326 1.957 1.00 0.00 C ATOM 877 CE2 TYR A 57 7.102 6.546 1.383 1.00 0.00 C ATOM 878 CZ TYR A 57 6.046 7.369 1.065 1.00 0.00 C ATOM 879 OH TYR A 57 5.420 7.240 -0.153 1.00 0.00 O ATOM 0 H TYR A 57 7.285 10.316 4.613 1.00 0.00 H new ATOM 0 HA TYR A 57 9.554 8.877 5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.616 6.891 5.037 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.247 7.800 5.647 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.906 9.209 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.559 6.033 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.788 8.971 1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.437 5.798 0.680 1.00 0.00 H new ATOM 0 HH TYR A 57 5.978 6.701 -0.752 1.00 0.00 H new ATOM 889 N PRO A 58 10.902 8.500 3.683 1.00 0.00 N ATOM 890 CA PRO A 58 11.828 8.598 2.547 1.00 0.00 C ATOM 891 C PRO A 58 11.250 8.013 1.260 1.00 0.00 C ATOM 892 O PRO A 58 11.816 7.081 0.688 1.00 0.00 O ATOM 893 CB PRO A 58 13.044 7.788 3.006 1.00 0.00 C ATOM 894 CG PRO A 58 12.505 6.833 4.015 1.00 0.00 C ATOM 895 CD PRO A 58 11.386 7.556 4.709 1.00 0.00 C ATOM 0 HA PRO A 58 12.056 9.636 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.507 7.262 2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.808 8.433 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.144 5.922 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.278 6.537 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.601 6.870 5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.735 8.076 5.601 1.00 0.00 H new ATOM 903 N ASN A 59 10.125 8.582 0.814 1.00 0.00 N ATOM 904 CA ASN A 59 9.434 8.153 -0.412 1.00 0.00 C ATOM 905 C ASN A 59 9.992 6.846 -0.982 1.00 0.00 C ATOM 906 O ASN A 59 10.569 6.827 -2.069 1.00 0.00 O ATOM 907 CB ASN A 59 9.519 9.256 -1.468 1.00 0.00 C ATOM 908 CG ASN A 59 8.529 10.377 -1.214 1.00 0.00 C ATOM 909 OD1 ASN A 59 7.528 10.507 -1.918 1.00 0.00 O ATOM 910 ND2 ASN A 59 8.805 11.194 -0.205 1.00 0.00 N ATOM 0 H ASN A 59 9.665 9.356 1.293 1.00 0.00 H new ATOM 0 HA ASN A 59 8.394 7.967 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.530 9.664 -1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.334 8.827 -2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.176 11.967 0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.647 11.049 0.353 1.00 0.00 H new ATOM 917 N ALA A 60 9.814 5.757 -0.239 1.00 0.00 N ATOM 918 CA ALA A 60 10.297 4.447 -0.667 1.00 0.00 C ATOM 919 C ALA A 60 9.862 4.137 -2.097 1.00 0.00 C ATOM 920 O ALA A 60 10.695 4.002 -2.994 1.00 0.00 O ATOM 921 CB ALA A 60 9.800 3.368 0.282 1.00 0.00 C ATOM 0 H ALA A 60 9.338 5.756 0.663 1.00 0.00 H new ATOM 0 HA ALA A 60 11.387 4.465 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.167 2.396 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.166 3.572 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.710 3.362 0.287 1.00 0.00 H new ATOM 927 N GLY A 61 8.553 4.028 -2.306 1.00 0.00 N ATOM 928 CA GLY A 61 8.037 3.740 -3.631 1.00 0.00 C ATOM 929 C GLY A 61 6.790 2.877 -3.599 1.00 0.00 C ATOM 930 O GLY A 61 6.850 1.678 -3.871 1.00 0.00 O ATOM 0 H GLY A 61 7.842 4.134 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.812 4.677 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.807 3.236 -4.215 1.00 0.00 H new ATOM 934 N LEU A 62 5.656 3.490 -3.274 1.00 0.00 N ATOM 935 CA LEU A 62 4.391 2.768 -3.219 1.00 0.00 C ATOM 936 C LEU A 62 3.800 2.629 -4.617 1.00 0.00 C ATOM 937 O LEU A 62 3.806 3.578 -5.401 1.00 0.00 O ATOM 938 CB LEU A 62 3.398 3.487 -2.301 1.00 0.00 C ATOM 939 CG LEU A 62 4.007 4.124 -1.049 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.419 5.505 -0.816 1.00 0.00 C ATOM 941 CD2 LEU A 62 3.783 3.236 0.167 1.00 0.00 C ATOM 0 H LEU A 62 5.588 4.482 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 62 4.582 1.774 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.895 4.264 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.634 2.774 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 62 5.081 4.228 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.863 5.943 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.631 6.141 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.340 5.423 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.223 3.706 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.713 3.099 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.252 2.266 0.001 1.00 0.00 H new ATOM 953 N THR A 63 3.298 1.439 -4.932 1.00 0.00 N ATOM 954 CA THR A 63 2.715 1.182 -6.243 1.00 0.00 C ATOM 955 C THR A 63 1.262 1.647 -6.307 1.00 0.00 C ATOM 956 O THR A 63 0.342 0.835 -6.393 1.00 0.00 O ATOM 957 CB THR A 63 2.810 -0.304 -6.583 1.00 0.00 C ATOM 958 OG1 THR A 63 2.237 -1.093 -5.556 1.00 0.00 O ATOM 959 CG2 THR A 63 4.231 -0.780 -6.790 1.00 0.00 C ATOM 0 H THR A 63 3.283 0.640 -4.299 1.00 0.00 H new ATOM 0 HA THR A 63 3.282 1.752 -6.979 1.00 0.00 H new ATOM 0 HB THR A 63 2.264 -0.421 -7.519 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.307 -2.041 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.227 -1.844 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.684 -0.226 -7.612 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.807 -0.614 -5.879 1.00 0.00 H new ATOM 967 N ARG A 64 1.069 2.962 -6.271 1.00 0.00 N ATOM 968 CA ARG A 64 -0.264 3.552 -6.334 1.00 0.00 C ATOM 969 C ARG A 64 -1.090 3.203 -5.096 1.00 0.00 C ATOM 970 O ARG A 64 -1.012 3.895 -4.082 1.00 0.00 O ATOM 971 CB ARG A 64 -0.985 3.105 -7.611 1.00 0.00 C ATOM 972 CG ARG A 64 -0.799 4.059 -8.780 1.00 0.00 C ATOM 973 CD ARG A 64 -0.700 3.312 -10.102 1.00 0.00 C ATOM 974 NE ARG A 64 -1.886 3.508 -10.931 1.00 0.00 N ATOM 975 CZ ARG A 64 -3.028 2.846 -10.762 1.00 0.00 C ATOM 976 NH1 ARG A 64 -3.144 1.944 -9.795 1.00 0.00 N ATOM 977 NH2 ARG A 64 -4.058 3.086 -11.562 1.00 0.00 N ATOM 0 H ARG A 64 1.825 3.643 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.150 4.636 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.622 2.118 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.050 3.004 -7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.635 4.757 -8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.103 4.651 -8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.182 3.651 -10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.565 2.248 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.836 4.193 -11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.355 1.755 -9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.022 1.440 -9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.975 3.778 -12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.933 2.579 -11.433 1.00 0.00 H new ATOM 991 N ASN A 65 -1.889 2.138 -5.179 1.00 0.00 N ATOM 992 CA ASN A 65 -2.729 1.729 -4.059 1.00 0.00 C ATOM 993 C ASN A 65 -2.850 0.210 -3.983 1.00 0.00 C ATOM 994 O ASN A 65 -3.943 -0.329 -3.805 1.00 0.00 O ATOM 995 CB ASN A 65 -4.119 2.358 -4.192 1.00 0.00 C ATOM 996 CG ASN A 65 -4.895 1.812 -5.375 1.00 0.00 C ATOM 997 OD1 ASN A 65 -4.320 1.223 -6.292 1.00 0.00 O ATOM 998 ND2 ASN A 65 -6.209 2.005 -5.361 1.00 0.00 N ATOM 0 H ASN A 65 -1.970 1.548 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.259 2.077 -3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.684 2.178 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.017 3.438 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.783 1.660 -6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.644 2.498 -4.581 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.722 -0.477 -4.117 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.706 -1.934 -4.063 1.00 0.00 C ATOM 1007 C TYR A 66 -1.490 -2.426 -2.638 1.00 0.00 C ATOM 1008 O TYR A 66 -0.357 -2.456 -2.163 1.00 0.00 O ATOM 1009 CB TYR A 66 -0.601 -2.488 -4.963 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.982 -2.575 -6.422 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -2.059 -3.347 -6.837 1.00 0.00 C ATOM 1012 CD2 TYR A 66 -0.260 -1.886 -7.386 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -2.405 -3.429 -8.172 1.00 0.00 C ATOM 1014 CE2 TYR A 66 -0.598 -1.963 -8.723 1.00 0.00 C ATOM 1015 CZ TYR A 66 -1.671 -2.736 -9.110 1.00 0.00 C ATOM 1016 OH TYR A 66 -2.013 -2.816 -10.442 1.00 0.00 O ATOM 0 H TYR A 66 -0.808 -0.050 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.674 -2.290 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.283 -1.857 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.324 -3.482 -4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.636 -3.892 -6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.581 -1.279 -7.086 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.246 -4.033 -8.479 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.025 -1.421 -9.460 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.397 -2.268 -10.971 1.00 0.00 H new ATOM 1026 N CYS A 67 -2.582 -2.806 -1.960 1.00 0.00 N ATOM 1027 CA CYS A 67 -2.515 -3.300 -0.577 1.00 0.00 C ATOM 1028 C CYS A 67 -1.078 -3.607 -0.153 1.00 0.00 C ATOM 1029 O CYS A 67 -0.418 -4.480 -0.713 1.00 0.00 O ATOM 1030 CB CYS A 67 -3.427 -4.525 -0.396 1.00 0.00 C ATOM 1031 SG CYS A 67 -2.640 -6.144 -0.703 1.00 0.00 S ATOM 0 H CYS A 67 -3.525 -2.781 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.876 -2.507 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.818 -4.518 0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.281 -4.423 -1.066 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.595 -2.853 0.825 1.00 0.00 N ATOM 1037 CA ARG A 68 0.771 -3.014 1.314 1.00 0.00 C ATOM 1038 C ARG A 68 0.935 -2.385 2.696 1.00 0.00 C ATOM 1039 O ARG A 68 -0.035 -1.937 3.306 1.00 0.00 O ATOM 1040 CB ARG A 68 1.756 -2.372 0.334 1.00 0.00 C ATOM 1041 CG ARG A 68 2.360 -3.353 -0.660 1.00 0.00 C ATOM 1042 CD ARG A 68 2.366 -2.786 -2.074 1.00 0.00 C ATOM 1043 NE ARG A 68 3.721 -2.504 -2.544 1.00 0.00 N ATOM 1044 CZ ARG A 68 4.527 -3.417 -3.079 1.00 0.00 C ATOM 1045 NH1 ARG A 68 4.127 -4.675 -3.209 1.00 0.00 N ATOM 1046 NH2 ARG A 68 5.743 -3.072 -3.484 1.00 0.00 N ATOM 0 H ARG A 68 -1.128 -2.123 1.297 1.00 0.00 H new ATOM 0 HA ARG A 68 0.980 -4.081 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.245 -1.581 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.560 -1.900 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.380 -3.595 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.794 -4.284 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.887 -3.494 -2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.775 -1.870 -2.100 1.00 0.00 H new ATOM 0 HE ARG A 68 4.070 -1.549 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.195 -4.949 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.751 -5.369 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.059 -2.107 -3.385 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.362 -3.772 -3.894 1.00 0.00 H new ATOM 1060 N ASN A 69 2.175 -2.352 3.177 1.00 0.00 N ATOM 1061 CA ASN A 69 2.480 -1.770 4.479 1.00 0.00 C ATOM 1062 C ASN A 69 3.840 -1.077 4.451 1.00 0.00 C ATOM 1063 O ASN A 69 4.725 -1.461 3.686 1.00 0.00 O ATOM 1064 CB ASN A 69 2.467 -2.848 5.564 1.00 0.00 C ATOM 1065 CG ASN A 69 3.494 -3.934 5.317 1.00 0.00 C ATOM 1066 OD1 ASN A 69 4.008 -4.078 4.207 1.00 0.00 O ATOM 1067 ND2 ASN A 69 3.795 -4.709 6.353 1.00 0.00 N ATOM 0 H ASN A 69 2.986 -2.723 2.682 1.00 0.00 H new ATOM 0 HA ASN A 69 1.713 -1.030 4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.658 -2.386 6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.475 -3.296 5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.477 -5.460 6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.344 -4.553 7.255 1.00 0.00 H new ATOM 1074 N PRO A 70 4.029 -0.045 5.290 1.00 0.00 N ATOM 1075 CA PRO A 70 5.289 0.692 5.356 1.00 0.00 C ATOM 1076 C PRO A 70 6.350 -0.060 6.152 1.00 0.00 C ATOM 1077 O PRO A 70 7.548 0.130 5.945 1.00 0.00 O ATOM 1078 CB PRO A 70 4.898 1.987 6.064 1.00 0.00 C ATOM 1079 CG PRO A 70 3.745 1.613 6.932 1.00 0.00 C ATOM 1080 CD PRO A 70 3.031 0.478 6.243 1.00 0.00 C ATOM 0 HA PRO A 70 5.731 0.848 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.726 2.381 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.620 2.761 5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.088 1.310 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.076 2.462 7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.718 -0.287 6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.133 0.823 5.731 1.00 0.00 H new ATOM 1088 N ASP A 71 5.896 -0.920 7.057 1.00 0.00 N ATOM 1089 CA ASP A 71 6.797 -1.713 7.883 1.00 0.00 C ATOM 1090 C ASP A 71 6.637 -3.199 7.569 1.00 0.00 C ATOM 1091 O ASP A 71 6.160 -3.564 6.495 1.00 0.00 O ATOM 1092 CB ASP A 71 6.529 -1.445 9.368 1.00 0.00 C ATOM 1093 CG ASP A 71 6.377 0.032 9.672 1.00 0.00 C ATOM 1094 OD1 ASP A 71 6.940 0.855 8.921 1.00 0.00 O ATOM 1095 OD2 ASP A 71 5.696 0.367 10.665 1.00 0.00 O ATOM 0 H ASP A 71 4.906 -1.086 7.237 1.00 0.00 H new ATOM 0 HA ASP A 71 7.823 -1.423 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.623 -1.970 9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.348 -1.853 9.961 1.00 0.00 H new ATOM 1100 N ALA A 72 7.037 -4.054 8.505 1.00 0.00 N ATOM 1101 CA ALA A 72 6.935 -5.497 8.313 1.00 0.00 C ATOM 1102 C ALA A 72 6.008 -6.128 9.348 1.00 0.00 C ATOM 1103 O ALA A 72 6.088 -5.820 10.537 1.00 0.00 O ATOM 1104 CB ALA A 72 8.313 -6.135 8.379 1.00 0.00 C ATOM 0 H ALA A 72 7.434 -3.774 9.402 1.00 0.00 H new ATOM 0 HA ALA A 72 6.508 -5.677 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.223 -7.212 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.946 -5.716 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.760 -5.936 9.353 1.00 0.00 H new ATOM 1110 N GLU A 73 5.130 -7.015 8.886 1.00 0.00 N ATOM 1111 CA GLU A 73 4.187 -7.695 9.769 1.00 0.00 C ATOM 1112 C GLU A 73 3.286 -8.641 8.979 1.00 0.00 C ATOM 1113 O GLU A 73 2.164 -8.286 8.622 1.00 0.00 O ATOM 1114 CB GLU A 73 3.334 -6.674 10.527 1.00 0.00 C ATOM 1115 CG GLU A 73 3.047 -7.071 11.966 1.00 0.00 C ATOM 1116 CD GLU A 73 4.310 -7.231 12.790 1.00 0.00 C ATOM 1117 OE1 GLU A 73 4.821 -6.212 13.298 1.00 0.00 O ATOM 1118 OE2 GLU A 73 4.787 -8.378 12.926 1.00 0.00 O ATOM 0 H GLU A 73 5.052 -7.280 7.904 1.00 0.00 H new ATOM 0 HA GLU A 73 4.760 -8.282 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.843 -5.710 10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.389 -6.540 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.410 -6.316 12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.490 -8.008 11.976 1.00 0.00 H new ATOM 1125 N ILE A 74 3.789 -9.847 8.712 1.00 0.00 N ATOM 1126 CA ILE A 74 3.046 -10.865 7.961 1.00 0.00 C ATOM 1127 C ILE A 74 2.317 -10.270 6.755 1.00 0.00 C ATOM 1128 O ILE A 74 2.855 -10.249 5.649 1.00 0.00 O ATOM 1129 CB ILE A 74 2.035 -11.629 8.853 1.00 0.00 C ATOM 1130 CG1 ILE A 74 1.548 -10.753 10.019 1.00 0.00 C ATOM 1131 CG2 ILE A 74 2.666 -12.914 9.367 1.00 0.00 C ATOM 1132 CD1 ILE A 74 0.689 -11.497 11.024 1.00 0.00 C ATOM 0 H ILE A 74 4.718 -10.147 9.008 1.00 0.00 H new ATOM 0 HA ILE A 74 3.793 -11.573 7.602 1.00 0.00 H new ATOM 0 HB ILE A 74 1.164 -11.882 8.249 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.413 -10.335 10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.979 -9.914 9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.950 -13.446 9.993 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.948 -13.544 8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.553 -12.675 9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.383 -10.815 11.817 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.195 -11.892 10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.261 -12.319 11.454 1.00 0.00 H new ATOM 1144 N ARG A 75 1.099 -9.785 6.969 1.00 0.00 N ATOM 1145 CA ARG A 75 0.317 -9.187 5.897 1.00 0.00 C ATOM 1146 C ARG A 75 0.283 -7.668 6.053 1.00 0.00 C ATOM 1147 O ARG A 75 0.528 -7.148 7.140 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.105 -9.767 5.886 1.00 0.00 C ATOM 1149 CG ARG A 75 -2.035 -9.176 6.939 1.00 0.00 C ATOM 1150 CD ARG A 75 -1.753 -9.743 8.323 1.00 0.00 C ATOM 1151 NE ARG A 75 -1.600 -11.195 8.300 1.00 0.00 N ATOM 1152 CZ ARG A 75 -2.606 -12.045 8.106 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -3.841 -11.592 7.923 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -2.380 -13.351 8.098 1.00 0.00 N ATOM 0 H ARG A 75 0.633 -9.795 7.876 1.00 0.00 H new ATOM 0 HA ARG A 75 0.788 -9.423 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.542 -9.605 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.046 -10.845 6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.919 -8.092 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.070 -9.381 6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.846 -9.289 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.567 -9.475 8.997 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.666 -11.581 8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.022 -10.588 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.608 -12.248 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.434 -13.706 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.152 -14.001 7.949 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.011 -6.929 4.970 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.062 -5.465 5.014 1.00 0.00 C ATOM 1170 C PRO A 76 -1.187 -4.947 5.907 1.00 0.00 C ATOM 1171 O PRO A 76 -1.925 -5.728 6.508 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.303 -5.067 3.557 1.00 0.00 C ATOM 1173 CG PRO A 76 -0.923 -6.267 2.932 1.00 0.00 C ATOM 1174 CD PRO A 76 -0.311 -7.451 3.625 1.00 0.00 C ATOM 0 HA PRO A 76 0.849 -5.041 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.961 -4.201 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.630 -4.800 3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.006 -6.258 3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.726 -6.296 1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.999 -8.296 3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.589 -7.796 3.116 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.302 -3.626 5.998 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.328 -3.003 6.832 1.00 0.00 C ATOM 1184 C TRP A 77 -2.579 -1.563 6.413 1.00 0.00 C ATOM 1185 O TRP A 77 -1.949 -0.637 6.925 1.00 0.00 O ATOM 1186 CB TRP A 77 -1.923 -3.058 8.311 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.456 -3.286 8.533 1.00 0.00 C ATOM 1188 CD1 TRP A 77 0.203 -4.483 8.504 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.534 -2.291 8.819 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.540 -4.292 8.754 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.769 -2.956 8.950 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.498 -0.903 8.976 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.953 -2.281 9.231 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.675 -0.233 9.255 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.888 -0.922 9.378 1.00 0.00 C ATOM 0 H TRP A 77 -0.700 -2.966 5.506 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.253 -3.563 6.696 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.212 -2.123 8.791 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.483 -3.855 8.801 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.260 -5.440 8.312 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.247 -5.026 8.788 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.433 -0.363 8.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.889 -2.810 9.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.659 0.840 9.380 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.791 -0.369 9.593 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.517 -1.382 5.494 1.00 0.00 N ATOM 1207 CA CYS A 78 -3.868 -0.051 5.020 1.00 0.00 C ATOM 1208 C CYS A 78 -5.380 0.116 4.971 1.00 0.00 C ATOM 1209 O CYS A 78 -6.126 -0.779 5.370 1.00 0.00 O ATOM 1210 CB CYS A 78 -3.254 0.215 3.647 1.00 0.00 C ATOM 1211 SG CYS A 78 -3.526 -1.112 2.434 1.00 0.00 S ATOM 0 H CYS A 78 -4.048 -2.139 5.062 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.462 0.679 5.721 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.667 1.143 3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.181 0.368 3.765 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.830 1.271 4.501 1.00 0.00 N ATOM 1217 CA TYR A 79 -7.257 1.559 4.424 1.00 0.00 C ATOM 1218 C TYR A 79 -7.844 1.059 3.101 1.00 0.00 C ATOM 1219 O TYR A 79 -7.351 0.086 2.533 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.495 3.063 4.597 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.646 3.707 5.681 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.985 2.942 6.645 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -6.509 5.088 5.740 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.218 3.540 7.628 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.743 5.691 6.721 1.00 0.00 C ATOM 1226 CZ TYR A 79 -5.101 4.913 7.660 1.00 0.00 C ATOM 1227 OH TYR A 79 -4.338 5.512 8.637 1.00 0.00 O ATOM 0 H TYR A 79 -5.229 2.024 4.167 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.765 1.031 5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.295 3.563 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.547 3.229 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.074 1.866 6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.010 5.702 5.006 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.713 2.935 8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.648 6.766 6.751 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.359 6.485 8.518 1.00 0.00 H new ATOM 1237 N THR A 80 -8.901 1.713 2.616 1.00 0.00 N ATOM 1238 CA THR A 80 -9.538 1.310 1.368 1.00 0.00 C ATOM 1239 C THR A 80 -10.135 2.514 0.646 1.00 0.00 C ATOM 1240 O THR A 80 -10.063 3.641 1.134 1.00 0.00 O ATOM 1241 CB THR A 80 -10.635 0.269 1.634 1.00 0.00 C ATOM 1242 OG1 THR A 80 -11.895 0.895 1.807 1.00 0.00 O ATOM 1243 CG2 THR A 80 -10.381 -0.583 2.861 1.00 0.00 C ATOM 0 H THR A 80 -9.330 2.520 3.069 1.00 0.00 H new ATOM 0 HA THR A 80 -8.772 0.866 0.732 1.00 0.00 H new ATOM 0 HB THR A 80 -10.627 -0.376 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.809 1.630 2.449 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.197 -1.295 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.443 -1.124 2.740 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.320 0.056 3.742 1.00 0.00 H new ATOM 1251 N MET A 81 -10.728 2.263 -0.516 1.00 0.00 N ATOM 1252 CA MET A 81 -11.346 3.320 -1.305 1.00 0.00 C ATOM 1253 C MET A 81 -12.711 3.693 -0.734 1.00 0.00 C ATOM 1254 O MET A 81 -13.153 4.836 -0.851 1.00 0.00 O ATOM 1255 CB MET A 81 -11.490 2.879 -2.763 1.00 0.00 C ATOM 1256 CG MET A 81 -12.148 3.919 -3.656 1.00 0.00 C ATOM 1257 SD MET A 81 -11.316 5.518 -3.593 1.00 0.00 S ATOM 1258 CE MET A 81 -9.672 5.066 -4.142 1.00 0.00 C ATOM 0 H MET A 81 -10.793 1.334 -0.932 1.00 0.00 H new ATOM 0 HA MET A 81 -10.702 4.198 -1.263 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.503 2.644 -3.161 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.075 1.960 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 81 -12.154 3.557 -4.684 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.188 4.043 -3.356 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.052 5.960 -4.207 1.00 0.00 H new ATOM 0 HE2 MET A 81 -9.230 4.369 -3.431 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.733 4.594 -5.123 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.371 2.720 -0.114 1.00 0.00 N ATOM 1269 CA ASP A 82 -14.682 2.942 0.481 1.00 0.00 C ATOM 1270 C ASP A 82 -14.554 3.688 1.808 1.00 0.00 C ATOM 1271 O ASP A 82 -14.023 3.148 2.779 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.394 1.606 0.703 1.00 0.00 C ATOM 1273 CG ASP A 82 -15.553 0.815 -0.580 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -14.820 1.104 -1.551 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -16.409 -0.094 -0.617 1.00 0.00 O ATOM 0 H ASP A 82 -13.018 1.769 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.270 3.551 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.832 1.013 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.377 1.789 1.138 1.00 0.00 H new ATOM 1280 N PRO A 83 -15.037 4.941 1.870 1.00 0.00 N ATOM 1281 CA PRO A 83 -14.968 5.753 3.092 1.00 0.00 C ATOM 1282 C PRO A 83 -15.870 5.214 4.200 1.00 0.00 C ATOM 1283 O PRO A 83 -16.790 5.895 4.653 1.00 0.00 O ATOM 1284 CB PRO A 83 -15.449 7.133 2.632 1.00 0.00 C ATOM 1285 CG PRO A 83 -16.296 6.859 1.439 1.00 0.00 C ATOM 1286 CD PRO A 83 -15.684 5.667 0.762 1.00 0.00 C ATOM 0 HA PRO A 83 -13.966 5.758 3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -16.018 7.635 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.610 7.782 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -17.326 6.656 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -16.318 7.719 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.438 5.055 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -14.963 5.964 0.000 1.00 0.00 H new ATOM 1294 N SER A 84 -15.597 3.989 4.634 1.00 0.00 N ATOM 1295 CA SER A 84 -16.379 3.355 5.690 1.00 0.00 C ATOM 1296 C SER A 84 -15.602 2.208 6.326 1.00 0.00 C ATOM 1297 O SER A 84 -16.189 1.239 6.809 1.00 0.00 O ATOM 1298 CB SER A 84 -17.708 2.842 5.132 1.00 0.00 C ATOM 1299 OG SER A 84 -18.537 3.914 4.718 1.00 0.00 O ATOM 0 H SER A 84 -14.838 3.413 4.270 1.00 0.00 H new ATOM 0 HA SER A 84 -16.581 4.102 6.458 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.519 2.178 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.222 2.254 5.892 1.00 0.00 H new ATOM 0 HG SER A 84 -18.143 4.763 5.009 1.00 0.00 H new ATOM 1305 N VAL A 85 -14.277 2.321 6.321 1.00 0.00 N ATOM 1306 CA VAL A 85 -13.418 1.291 6.894 1.00 0.00 C ATOM 1307 C VAL A 85 -12.423 1.892 7.875 1.00 0.00 C ATOM 1308 O VAL A 85 -12.383 1.514 9.046 1.00 0.00 O ATOM 1309 CB VAL A 85 -12.618 0.530 5.814 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.430 -0.924 6.212 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -13.291 0.638 4.455 1.00 0.00 C ATOM 0 H VAL A 85 -13.775 3.116 5.926 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.084 0.596 7.405 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.634 0.992 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.864 -1.443 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.886 -0.976 7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.404 -1.398 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.705 0.093 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.293 0.212 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.358 1.686 4.164 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.605 2.815 7.370 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.573 3.475 8.170 1.00 0.00 C ATOM 1323 C ARG A 86 -9.294 2.642 8.169 1.00 0.00 C ATOM 1324 O ARG A 86 -8.192 3.182 8.104 1.00 0.00 O ATOM 1325 CB ARG A 86 -11.047 3.713 9.608 1.00 0.00 C ATOM 1326 CG ARG A 86 -10.574 5.034 10.192 1.00 0.00 C ATOM 1327 CD ARG A 86 -10.649 5.029 11.710 1.00 0.00 C ATOM 1328 NE ARG A 86 -9.583 5.828 12.314 1.00 0.00 N ATOM 1329 CZ ARG A 86 -8.293 5.509 12.254 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -7.902 4.409 11.620 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -7.389 6.291 12.829 1.00 0.00 N ATOM 0 H ARG A 86 -11.638 3.125 6.399 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.369 4.446 7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.136 3.683 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.692 2.898 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.548 5.226 9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.185 5.847 9.799 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.617 5.418 12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.583 4.003 12.073 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.844 6.680 12.810 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.592 3.804 11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.911 4.170 11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.683 7.137 13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.400 6.046 12.783 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.453 1.322 8.232 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.320 0.404 8.225 1.00 0.00 C ATOM 1347 C TRP A 87 -8.795 -1.018 7.926 1.00 0.00 C ATOM 1348 O TRP A 87 -9.879 -1.420 8.353 1.00 0.00 O ATOM 1349 CB TRP A 87 -7.568 0.481 9.567 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.142 -0.843 10.127 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -7.947 -1.893 10.462 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -5.804 -1.248 10.429 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.189 -2.932 10.940 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -5.871 -2.560 10.933 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -4.556 -0.630 10.319 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -4.737 -3.262 11.323 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -3.430 -1.329 10.709 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -3.527 -2.634 11.204 1.00 0.00 C ATOM 0 H TRP A 87 -10.362 0.863 8.289 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.626 0.694 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.684 1.106 9.437 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.206 0.980 10.297 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.023 -1.904 10.365 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.549 -3.835 11.250 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.473 0.376 9.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -4.808 -4.269 11.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -2.460 -0.861 10.631 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -2.629 -3.156 11.498 1.00 0.00 H new ATOM 1369 N GLU A 88 -7.982 -1.778 7.201 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.327 -3.154 6.861 1.00 0.00 C ATOM 1371 C GLU A 88 -7.098 -3.938 6.416 1.00 0.00 C ATOM 1372 O GLU A 88 -6.085 -3.356 6.027 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.388 -3.183 5.764 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.756 -3.635 6.253 1.00 0.00 C ATOM 1375 CD GLU A 88 -11.783 -3.698 5.140 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -11.383 -3.650 3.957 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -12.989 -3.795 5.451 1.00 0.00 O ATOM 0 H GLU A 88 -7.081 -1.466 6.838 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.728 -3.627 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.477 -2.187 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.057 -3.850 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.666 -4.618 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.105 -2.951 7.026 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.201 -5.261 6.459 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.106 -6.126 6.041 1.00 0.00 C ATOM 1386 C TYR A 89 -6.238 -6.464 4.565 1.00 0.00 C ATOM 1387 O TYR A 89 -7.252 -6.154 3.946 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.098 -7.407 6.874 1.00 0.00 C ATOM 1389 CG TYR A 89 -5.636 -7.191 8.293 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -6.271 -6.270 9.112 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -4.562 -7.899 8.808 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -5.850 -6.060 10.407 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -4.129 -7.696 10.105 1.00 0.00 C ATOM 1394 CZ TYR A 89 -4.777 -6.775 10.901 1.00 0.00 C ATOM 1395 OH TYR A 89 -4.352 -6.568 12.194 1.00 0.00 O ATOM 0 H TYR A 89 -8.032 -5.758 6.779 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.165 -5.599 6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.102 -7.831 6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.449 -8.140 6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.110 -5.708 8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.055 -8.621 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.357 -5.340 11.032 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.290 -8.254 10.492 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.588 -7.151 12.384 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.220 -7.105 4.003 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.251 -7.487 2.597 1.00 0.00 C ATOM 1407 C CYS A 90 -5.435 -8.991 2.454 1.00 0.00 C ATOM 1408 O CYS A 90 -5.081 -9.751 3.354 1.00 0.00 O ATOM 1409 CB CYS A 90 -3.969 -7.058 1.883 1.00 0.00 C ATOM 1410 SG CYS A 90 -3.944 -7.472 0.107 1.00 0.00 S ATOM 0 H CYS A 90 -4.367 -7.370 4.496 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.096 -6.977 2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.843 -5.981 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.117 -7.532 2.369 1.00 0.00 H new ATOM 1415 N ASN A 91 -5.982 -9.419 1.317 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.194 -10.845 1.063 1.00 0.00 C ATOM 1417 C ASN A 91 -4.887 -11.608 1.268 1.00 0.00 C ATOM 1418 O ASN A 91 -4.095 -11.768 0.341 1.00 0.00 O ATOM 1419 CB ASN A 91 -6.727 -11.078 -0.357 1.00 0.00 C ATOM 1420 CG ASN A 91 -6.226 -10.055 -1.360 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -4.915 -9.852 -1.394 1.00 0.00 O flip ATOM 1422 ND2 ASN A 91 -7.009 -9.454 -2.094 1.00 0.00 N flip ATOM 0 H ASN A 91 -6.285 -8.804 0.561 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.939 -11.213 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.436 -12.075 -0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.817 -11.054 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.010 -9.641 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.657 -8.768 -2.762 1.00 0.00 H new ATOM 1429 N LEU A 92 -4.663 -12.054 2.501 1.00 0.00 N ATOM 1430 CA LEU A 92 -3.447 -12.768 2.862 1.00 0.00 C ATOM 1431 C LEU A 92 -3.651 -13.560 4.156 1.00 0.00 C ATOM 1432 O LEU A 92 -3.657 -12.989 5.247 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.300 -11.768 3.051 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.287 -11.693 1.906 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -1.733 -10.685 0.855 1.00 0.00 C ATOM 1436 CD2 LEU A 92 0.088 -11.326 2.443 1.00 0.00 C ATOM 0 H LEU A 92 -5.318 -11.930 3.273 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.201 -13.464 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.728 -10.776 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.767 -12.024 3.967 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.229 -12.674 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.998 -10.648 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.699 -10.985 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.821 -9.699 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.799 -11.276 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.038 -10.356 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.413 -12.082 3.157 1.00 0.00 H new ATOM 1448 N THR A 93 -3.811 -14.871 4.031 1.00 0.00 N ATOM 1449 CA THR A 93 -4.009 -15.735 5.191 1.00 0.00 C ATOM 1450 C THR A 93 -3.112 -16.954 5.135 1.00 0.00 C ATOM 1451 O THR A 93 -2.852 -17.510 4.070 1.00 0.00 O ATOM 1452 CB THR A 93 -5.459 -16.186 5.294 1.00 0.00 C ATOM 1453 OG1 THR A 93 -5.771 -17.125 4.286 1.00 0.00 O ATOM 1454 CG2 THR A 93 -6.422 -15.040 5.183 1.00 0.00 C ATOM 0 H THR A 93 -3.808 -15.362 3.137 1.00 0.00 H new ATOM 0 HA THR A 93 -3.750 -15.148 6.072 1.00 0.00 H new ATOM 0 HB THR A 93 -5.563 -16.641 6.279 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.581 -16.841 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.443 -15.414 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.233 -14.327 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.290 -14.546 4.220 1.00 0.00 H new ATOM 1462 N ARG A 94 -2.648 -17.370 6.291 1.00 0.00 N ATOM 1463 CA ARG A 94 -1.780 -18.524 6.381 1.00 0.00 C ATOM 1464 C ARG A 94 -2.503 -19.781 5.913 1.00 0.00 C ATOM 1465 O ARG A 94 -3.449 -20.244 6.553 1.00 0.00 O ATOM 1466 CB ARG A 94 -1.317 -18.671 7.822 1.00 0.00 C ATOM 1467 CG ARG A 94 0.125 -18.243 8.039 1.00 0.00 C ATOM 1468 CD ARG A 94 0.874 -19.223 8.926 1.00 0.00 C ATOM 1469 NE ARG A 94 1.643 -20.190 8.147 1.00 0.00 N ATOM 1470 CZ ARG A 94 2.785 -19.901 7.525 1.00 0.00 C ATOM 1471 NH1 ARG A 94 3.291 -18.675 7.589 1.00 0.00 N ATOM 1472 NH2 ARG A 94 3.421 -20.839 6.838 1.00 0.00 N ATOM 0 H ARG A 94 -2.857 -16.926 7.185 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.916 -18.385 5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.965 -18.077 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.429 -19.711 8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.630 -18.164 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.146 -17.252 8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.545 -18.674 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.164 -19.752 9.561 1.00 0.00 H new ATOM 0 HE ARG A 94 1.285 -21.142 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.805 -17.950 8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.166 -18.459 7.111 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.036 -21.782 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.295 -20.618 6.362 1.00 0.00 H new ATOM 1486 N CYS A 95 -2.051 -20.328 4.788 1.00 0.00 N ATOM 1487 CA CYS A 95 -2.654 -21.529 4.228 1.00 0.00 C ATOM 1488 C CYS A 95 -1.964 -22.785 4.757 1.00 0.00 C ATOM 1489 O CYS A 95 -0.791 -22.750 5.127 1.00 0.00 O ATOM 1490 CB CYS A 95 -2.593 -21.491 2.699 1.00 0.00 C ATOM 1491 SG CYS A 95 -4.227 -21.403 1.895 1.00 0.00 S ATOM 0 H CYS A 95 -1.269 -19.957 4.248 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.699 -21.561 4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.001 -20.630 2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.072 -22.380 2.344 1.00 0.00 H new ATOM 1496 N PRO A 96 -2.687 -23.918 4.796 1.00 0.00 N ATOM 1497 CA PRO A 96 -2.139 -25.188 5.282 1.00 0.00 C ATOM 1498 C PRO A 96 -1.092 -25.766 4.336 1.00 0.00 C ATOM 1499 O PRO A 96 -1.427 -26.333 3.296 1.00 0.00 O ATOM 1500 CB PRO A 96 -3.363 -26.104 5.349 1.00 0.00 C ATOM 1501 CG PRO A 96 -4.315 -25.535 4.355 1.00 0.00 C ATOM 1502 CD PRO A 96 -4.095 -24.047 4.372 1.00 0.00 C ATOM 0 HA PRO A 96 -1.627 -25.071 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.102 -27.133 5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.795 -26.115 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.132 -25.945 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.344 -25.780 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.262 -23.604 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.772 -23.548 5.066 1.00 0.00 H new ATOM 1510 N VAL A 97 0.176 -25.619 4.704 1.00 0.00 N ATOM 1511 CA VAL A 97 1.273 -26.127 3.888 1.00 0.00 C ATOM 1512 C VAL A 97 1.309 -27.652 3.905 1.00 0.00 C ATOM 1513 O VAL A 97 1.543 -28.289 2.879 1.00 0.00 O ATOM 1514 CB VAL A 97 2.631 -25.581 4.371 1.00 0.00 C ATOM 1515 CG1 VAL A 97 2.910 -26.022 5.801 1.00 0.00 C ATOM 1516 CG2 VAL A 97 3.749 -26.027 3.441 1.00 0.00 C ATOM 0 H VAL A 97 0.470 -25.152 5.562 1.00 0.00 H new ATOM 0 HA VAL A 97 1.097 -25.784 2.868 1.00 0.00 H new ATOM 0 HB VAL A 97 2.588 -24.492 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.873 -25.626 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.126 -25.646 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.931 -27.111 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.700 -25.631 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.793 -27.116 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.556 -25.654 2.435 1.00 0.00 H new ATOM 1526 N THR A 98 1.074 -28.232 5.078 1.00 0.00 N ATOM 1527 CA THR A 98 1.079 -29.681 5.228 1.00 0.00 C ATOM 1528 C THR A 98 -0.214 -30.289 4.692 1.00 0.00 C ATOM 1529 O THR A 98 -1.284 -29.690 4.800 1.00 0.00 O ATOM 1530 CB THR A 98 1.264 -30.062 6.698 1.00 0.00 C ATOM 1531 OG1 THR A 98 1.354 -31.468 6.845 1.00 0.00 O ATOM 1532 CG2 THR A 98 0.140 -29.578 7.589 1.00 0.00 C ATOM 0 H THR A 98 0.878 -27.720 5.938 1.00 0.00 H new ATOM 0 HA THR A 98 1.913 -30.078 4.649 1.00 0.00 H new ATOM 0 HB THR A 98 2.187 -29.573 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.474 -31.691 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 98 0.334 -29.882 8.618 1.00 0.00 H new ATOM 0 HG22 THR A 98 0.077 -28.491 7.538 1.00 0.00 H new ATOM 0 HG23 THR A 98 -0.802 -30.012 7.254 1.00 0.00 H new ATOM 1540 N GLU A 99 -0.107 -31.483 4.117 1.00 0.00 N ATOM 1541 CA GLU A 99 -1.269 -32.171 3.566 1.00 0.00 C ATOM 1542 C GLU A 99 -1.354 -33.600 4.091 1.00 0.00 C ATOM 1543 O GLU A 99 -0.519 -34.444 3.764 1.00 0.00 O ATOM 1544 CB GLU A 99 -1.202 -32.180 2.037 1.00 0.00 C ATOM 1545 CG GLU A 99 0.166 -32.552 1.489 1.00 0.00 C ATOM 1546 CD GLU A 99 0.101 -33.079 0.068 1.00 0.00 C ATOM 1547 OE1 GLU A 99 0.070 -32.253 -0.869 1.00 0.00 O ATOM 1548 OE2 GLU A 99 0.082 -34.315 -0.107 1.00 0.00 O ATOM 0 H GLU A 99 0.771 -31.993 4.021 1.00 0.00 H new ATOM 0 HA GLU A 99 -2.163 -31.634 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.941 -32.884 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.477 -31.194 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.816 -31.677 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.618 -33.307 2.132 1.00 0.00 H new ATOM 1555 N SER A 100 -2.367 -33.866 4.909 1.00 0.00 N ATOM 1556 CA SER A 100 -2.562 -35.192 5.480 1.00 0.00 C ATOM 1557 C SER A 100 -2.771 -36.232 4.383 1.00 0.00 C ATOM 1558 O SER A 100 -3.021 -35.888 3.228 1.00 0.00 O ATOM 1559 CB SER A 100 -3.760 -35.191 6.431 1.00 0.00 C ATOM 1560 OG SER A 100 -4.982 -35.207 5.714 1.00 0.00 O ATOM 0 H SER A 100 -3.066 -33.179 5.191 1.00 0.00 H new ATOM 0 HA SER A 100 -1.664 -35.454 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.708 -36.060 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.721 -34.308 7.069 1.00 0.00 H new ATOM 0 HG SER A 100 -5.732 -35.208 6.345 1.00 0.00 H new ATOM 1566 N SER A 101 -2.665 -37.504 4.753 1.00 0.00 N ATOM 1567 CA SER A 101 -2.842 -38.594 3.801 1.00 0.00 C ATOM 1568 C SER A 101 -3.803 -39.645 4.348 1.00 0.00 C ATOM 1569 O SER A 101 -3.379 -40.684 4.852 1.00 0.00 O ATOM 1570 CB SER A 101 -1.493 -39.239 3.475 1.00 0.00 C ATOM 1571 OG SER A 101 -0.950 -39.887 4.614 1.00 0.00 O ATOM 0 H SER A 101 -2.457 -37.805 5.705 1.00 0.00 H new ATOM 0 HA SER A 101 -3.269 -38.179 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.617 -39.960 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.798 -38.478 3.120 1.00 0.00 H new ATOM 0 HG SER A 101 -1.592 -40.545 4.953 1.00 0.00 H new ATOM 1577 N VAL A 102 -5.098 -39.364 4.247 1.00 0.00 N ATOM 1578 CA VAL A 102 -6.119 -40.285 4.732 1.00 0.00 C ATOM 1579 C VAL A 102 -6.324 -41.440 3.758 1.00 0.00 C ATOM 1580 O VAL A 102 -6.972 -42.434 4.149 1.00 0.00 O ATOM 1581 CB VAL A 102 -7.464 -39.568 4.949 1.00 0.00 C ATOM 1582 CG1 VAL A 102 -8.457 -40.490 5.641 1.00 0.00 C ATOM 1583 CG2 VAL A 102 -7.266 -38.289 5.750 1.00 0.00 C ATOM 1584 OXT VAL A 102 -5.836 -41.343 2.614 1.00 0.00 O ATOM 0 H VAL A 102 -5.465 -38.507 3.834 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.765 -40.675 5.686 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.871 -39.300 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.401 -39.965 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.624 -41.374 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.058 -40.793 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.228 -37.797 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.834 -38.531 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.594 -37.622 5.210 1.00 0.00 H new TER 1594 VAL A 102