USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 104 ASN : amide:sc= -0.118 K(o=-0.68,f=-3.1!) USER MOD Set 1.2: A 109 MET CE :methyl -128:sc= -0.563 (180deg=-0.767) USER MOD Single : A 5 MET CE :methyl 161:sc= -0.197 (180deg=-0.851) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0375 (180deg=-0.317) USER MOD Single : A 7 ASN : amide:sc=-0.00799 X(o=-0.008,f=-0.073) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00268 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -165:sc= -0.0831 (180deg=-0.434) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -47:sc= 0.568 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.6! C(o=-1.6!,f=-4.1!) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0358) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 139:sc= -0.759 (180deg=-1.34) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00934 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0724 F(o=-1.5,f=-0.072) USER MOD Single : A 57 THR OG1 : rot -140:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.0375) USER MOD Single : A 67 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.77) USER MOD Single : A 69 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.2) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.803 F(o=-3,f=-0.8) USER MOD Single : A 72 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ 135:sc= -2.4! (180deg=-5.09!) USER MOD Single : A 78 MET CE :methyl -174:sc= -0.888 (180deg=-0.971) USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= 0.129 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-8.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= -0.0242 (180deg=-0.0242) USER MOD Single : A 88 GLN : amide:sc= 1.47 K(o=1.5,f=-1.7) USER MOD Single : A 89 GLN : amide:sc= -1.28! X(o=-1.3!,f=-0.87) USER MOD Single : A 95 HIS : no HD1:sc= -0.0082 X(o=-0.0082,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 144:sc= 0.728 (180deg=0.156) USER MOD Single : A 110 LYS NZ :NH3+ -149:sc= -0.995 (180deg=-3.06!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 162:sc= -0.124 (180deg=-0.765) USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= -0.0685 (180deg=-0.295) USER MOD Single : A 120 LYS NZ :NH3+ 166:sc= -0.048 (180deg=-0.247) USER MOD Single : A 123 HIS : no HD1:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -7.548 -13.623 -1.709 1.00 0.00 N ATOM 15 CA PRO A 2 -8.272 -12.354 -1.525 1.00 0.00 C ATOM 16 C PRO A 2 -7.934 -11.642 -0.217 1.00 0.00 C ATOM 17 O PRO A 2 -8.181 -10.445 -0.092 1.00 0.00 O ATOM 18 CB PRO A 2 -9.750 -12.764 -1.529 1.00 0.00 C ATOM 19 CG PRO A 2 -9.776 -14.102 -2.173 1.00 0.00 C ATOM 20 CD PRO A 2 -8.488 -14.759 -1.781 1.00 0.00 C ATOM 0 HA PRO A 2 -8.003 -11.643 -2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.151 -12.806 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.357 -12.048 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.633 -14.684 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.858 -14.015 -3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.572 -15.275 -0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.172 -15.499 -2.516 1.00 0.00 H new ATOM 28 N GLU A 3 -7.358 -12.379 0.734 1.00 0.00 N ATOM 29 CA GLU A 3 -7.041 -11.854 2.067 1.00 0.00 C ATOM 30 C GLU A 3 -6.389 -10.475 2.002 1.00 0.00 C ATOM 31 O GLU A 3 -6.999 -9.478 2.389 1.00 0.00 O ATOM 32 CB GLU A 3 -6.104 -12.814 2.816 1.00 0.00 C ATOM 33 CG GLU A 3 -6.772 -14.074 3.350 1.00 0.00 C ATOM 34 CD GLU A 3 -7.445 -14.894 2.272 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.822 -15.131 1.219 1.00 0.00 O ATOM 36 OE2 GLU A 3 -8.609 -15.297 2.470 1.00 0.00 O ATOM 0 H GLU A 3 -7.097 -13.357 0.604 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.987 -11.763 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.295 -13.105 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.651 -12.279 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.025 -14.689 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.512 -13.795 4.100 1.00 0.00 H new ATOM 43 N ILE A 4 -5.156 -10.416 1.512 1.00 0.00 N ATOM 44 CA ILE A 4 -4.437 -9.159 1.460 1.00 0.00 C ATOM 45 C ILE A 4 -4.734 -8.378 0.168 1.00 0.00 C ATOM 46 O ILE A 4 -4.343 -7.218 0.031 1.00 0.00 O ATOM 47 CB ILE A 4 -2.917 -9.396 1.617 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.228 -8.141 2.154 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.296 -9.822 0.294 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.829 -7.623 3.442 1.00 0.00 C ATOM 0 H ILE A 4 -4.641 -11.219 1.149 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.786 -8.550 2.294 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.773 -10.202 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.172 -8.358 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.279 -7.357 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.226 -9.983 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.762 -10.747 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.454 -9.042 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.289 -6.732 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.878 -7.374 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.754 -8.390 4.213 1.00 0.00 H new ATOM 62 N MET A 5 -5.426 -9.017 -0.774 1.00 0.00 N ATOM 63 CA MET A 5 -5.730 -8.396 -2.058 1.00 0.00 C ATOM 64 C MET A 5 -6.835 -7.355 -1.918 1.00 0.00 C ATOM 65 O MET A 5 -6.935 -6.424 -2.722 1.00 0.00 O ATOM 66 CB MET A 5 -6.127 -9.459 -3.081 1.00 0.00 C ATOM 67 CG MET A 5 -4.942 -10.204 -3.673 1.00 0.00 C ATOM 68 SD MET A 5 -5.430 -11.423 -4.910 1.00 0.00 S ATOM 69 CE MET A 5 -6.253 -10.381 -6.115 1.00 0.00 C ATOM 0 H MET A 5 -5.786 -9.966 -0.670 1.00 0.00 H new ATOM 0 HA MET A 5 -4.831 -7.888 -2.408 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.797 -10.176 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.687 -8.985 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.258 -9.487 -4.126 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.396 -10.704 -2.873 1.00 0.00 H new ATOM 0 HE1 MET A 5 -6.310 -10.904 -7.070 1.00 0.00 H new ATOM 0 HE2 MET A 5 -7.260 -10.149 -5.768 1.00 0.00 H new ATOM 0 HE3 MET A 5 -5.690 -9.456 -6.241 1.00 0.00 H new ATOM 79 N LYS A 6 -7.674 -7.522 -0.906 1.00 0.00 N ATOM 80 CA LYS A 6 -8.687 -6.527 -0.592 1.00 0.00 C ATOM 81 C LYS A 6 -8.184 -5.614 0.523 1.00 0.00 C ATOM 82 O LYS A 6 -8.368 -5.888 1.711 1.00 0.00 O ATOM 83 CB LYS A 6 -10.018 -7.190 -0.207 1.00 0.00 C ATOM 84 CG LYS A 6 -9.899 -8.212 0.910 1.00 0.00 C ATOM 85 CD LYS A 6 -11.245 -8.805 1.277 1.00 0.00 C ATOM 86 CE LYS A 6 -11.102 -9.845 2.373 1.00 0.00 C ATOM 87 NZ LYS A 6 -10.479 -9.274 3.597 1.00 0.00 N ATOM 0 H LYS A 6 -7.673 -8.335 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.873 -5.925 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.723 -6.416 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.438 -7.677 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.222 -9.009 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.458 -7.741 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.917 -8.013 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.698 -9.260 0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.083 -10.251 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.496 -10.675 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.626 -9.923 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.459 -9.144 3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.916 -8.355 3.813 1.00 0.00 H new ATOM 101 N ASN A 7 -7.513 -4.545 0.131 1.00 0.00 N ATOM 102 CA ASN A 7 -6.934 -3.616 1.085 1.00 0.00 C ATOM 103 C ASN A 7 -8.034 -2.932 1.877 1.00 0.00 C ATOM 104 O ASN A 7 -8.944 -2.341 1.301 1.00 0.00 O ATOM 105 CB ASN A 7 -6.080 -2.563 0.373 1.00 0.00 C ATOM 106 CG ASN A 7 -4.988 -3.172 -0.483 1.00 0.00 C ATOM 107 OD1 ASN A 7 -5.196 -3.446 -1.666 1.00 0.00 O ATOM 108 ND2 ASN A 7 -3.821 -3.382 0.102 1.00 0.00 N ATOM 0 H ASN A 7 -7.355 -4.298 -0.846 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.294 -4.180 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.723 -1.944 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.629 -1.905 1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.050 -3.786 -0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.692 -3.140 1.085 1.00 0.00 H new ATOM 115 N LEU A 8 -7.952 -3.019 3.197 1.00 0.00 N ATOM 116 CA LEU A 8 -8.934 -2.383 4.069 1.00 0.00 C ATOM 117 C LEU A 8 -8.971 -0.876 3.834 1.00 0.00 C ATOM 118 O LEU A 8 -10.026 -0.253 3.917 1.00 0.00 O ATOM 119 CB LEU A 8 -8.626 -2.688 5.536 1.00 0.00 C ATOM 120 CG LEU A 8 -8.713 -4.167 5.917 1.00 0.00 C ATOM 121 CD1 LEU A 8 -8.344 -4.365 7.377 1.00 0.00 C ATOM 122 CD2 LEU A 8 -10.110 -4.702 5.647 1.00 0.00 C ATOM 0 H LEU A 8 -7.215 -3.524 3.690 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.916 -2.790 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.623 -2.327 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.318 -2.125 6.162 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.003 -4.722 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.412 -5.423 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.325 -4.016 7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.030 -3.798 8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.156 -5.755 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.835 -4.140 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.342 -4.594 4.588 1.00 0.00 H new ATOM 134 N SER A 9 -7.811 -0.304 3.517 1.00 0.00 N ATOM 135 CA SER A 9 -7.712 1.115 3.191 1.00 0.00 C ATOM 136 C SER A 9 -8.547 1.428 1.946 1.00 0.00 C ATOM 137 O SER A 9 -9.204 2.469 1.863 1.00 0.00 O ATOM 138 CB SER A 9 -6.240 1.488 2.961 1.00 0.00 C ATOM 139 OG SER A 9 -6.061 2.889 2.850 1.00 0.00 O ATOM 0 H SER A 9 -6.923 -0.805 3.479 1.00 0.00 H new ATOM 0 HA SER A 9 -8.100 1.705 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.636 1.109 3.786 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.880 1.003 2.054 1.00 0.00 H new ATOM 0 HG SER A 9 -5.112 3.087 2.706 1.00 0.00 H new ATOM 145 N ASN A 10 -8.527 0.497 0.998 1.00 0.00 N ATOM 146 CA ASN A 10 -9.266 0.630 -0.254 1.00 0.00 C ATOM 147 C ASN A 10 -10.756 0.384 -0.019 1.00 0.00 C ATOM 148 O ASN A 10 -11.609 0.959 -0.694 1.00 0.00 O ATOM 149 CB ASN A 10 -8.710 -0.361 -1.287 1.00 0.00 C ATOM 150 CG ASN A 10 -9.416 -0.301 -2.629 1.00 0.00 C ATOM 151 OD1 ASN A 10 -9.923 0.742 -3.039 1.00 0.00 O ATOM 152 ND2 ASN A 10 -9.434 -1.423 -3.336 1.00 0.00 N ATOM 0 H ASN A 10 -7.998 -0.372 1.075 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.146 1.644 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.649 -0.161 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.791 -1.372 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.879 -1.441 -4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.003 -2.268 -2.962 1.00 0.00 H new ATOM 159 N ASN A 11 -11.063 -0.468 0.954 1.00 0.00 N ATOM 160 CA ASN A 11 -12.448 -0.745 1.324 1.00 0.00 C ATOM 161 C ASN A 11 -13.080 0.485 1.966 1.00 0.00 C ATOM 162 O ASN A 11 -14.123 0.962 1.511 1.00 0.00 O ATOM 163 CB ASN A 11 -12.520 -1.943 2.279 1.00 0.00 C ATOM 164 CG ASN A 11 -13.881 -2.086 2.943 1.00 0.00 C ATOM 165 OD1 ASN A 11 -14.106 -1.574 4.041 1.00 0.00 O ATOM 166 ND2 ASN A 11 -14.798 -2.772 2.281 1.00 0.00 N ATOM 0 H ASN A 11 -10.371 -0.979 1.502 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.005 -0.991 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.292 -2.855 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.755 -1.835 3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.730 -2.892 2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.573 -3.181 1.374 1.00 0.00 H new ATOM 173 N PHE A 12 -12.447 0.981 3.029 1.00 0.00 N ATOM 174 CA PHE A 12 -12.857 2.242 3.658 1.00 0.00 C ATOM 175 C PHE A 12 -13.067 3.361 2.624 1.00 0.00 C ATOM 176 O PHE A 12 -14.210 3.707 2.318 1.00 0.00 O ATOM 177 CB PHE A 12 -11.837 2.688 4.710 1.00 0.00 C ATOM 178 CG PHE A 12 -11.748 1.776 5.901 1.00 0.00 C ATOM 179 CD1 PHE A 12 -12.894 1.291 6.511 1.00 0.00 C ATOM 180 CD2 PHE A 12 -10.514 1.400 6.406 1.00 0.00 C ATOM 181 CE1 PHE A 12 -12.809 0.449 7.605 1.00 0.00 C ATOM 182 CE2 PHE A 12 -10.424 0.558 7.498 1.00 0.00 C ATOM 183 CZ PHE A 12 -11.572 0.081 8.097 1.00 0.00 C ATOM 0 H PHE A 12 -11.648 0.531 3.475 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.813 2.053 4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.855 2.755 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.097 3.690 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.864 1.573 6.128 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.612 1.769 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.709 0.080 8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.456 0.273 7.882 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.503 -0.579 8.949 1.00 0.00 H new ATOM 193 N GLY A 13 -11.973 3.923 2.086 1.00 0.00 N ATOM 194 CA GLY A 13 -12.087 4.994 1.107 1.00 0.00 C ATOM 195 C GLY A 13 -12.920 6.182 1.574 1.00 0.00 C ATOM 196 O GLY A 13 -13.594 6.816 0.763 1.00 0.00 O ATOM 0 H GLY A 13 -11.016 3.652 2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.087 5.344 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.528 4.592 0.195 1.00 0.00 H new ATOM 200 N LYS A 14 -12.878 6.492 2.870 1.00 0.00 N ATOM 201 CA LYS A 14 -13.610 7.634 3.402 1.00 0.00 C ATOM 202 C LYS A 14 -13.001 8.933 2.891 1.00 0.00 C ATOM 203 O LYS A 14 -13.712 9.851 2.477 1.00 0.00 O ATOM 204 CB LYS A 14 -13.601 7.605 4.936 1.00 0.00 C ATOM 205 CG LYS A 14 -14.268 8.811 5.579 1.00 0.00 C ATOM 206 CD LYS A 14 -14.206 8.730 7.094 1.00 0.00 C ATOM 207 CE LYS A 14 -14.788 9.971 7.749 1.00 0.00 C ATOM 208 NZ LYS A 14 -14.719 9.893 9.232 1.00 0.00 N ATOM 0 H LYS A 14 -12.346 5.969 3.566 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.644 7.577 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.104 6.700 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.569 7.545 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.778 9.724 5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.308 8.869 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.752 7.850 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.170 8.604 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.246 10.852 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.826 10.094 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.125 10.757 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.257 9.066 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.727 9.801 9.529 1.00 0.00 H new ATOM 222 N ALA A 15 -11.679 8.996 2.892 1.00 0.00 N ATOM 223 CA ALA A 15 -10.978 10.168 2.405 1.00 0.00 C ATOM 224 C ALA A 15 -9.706 9.774 1.674 1.00 0.00 C ATOM 225 O ALA A 15 -8.596 10.060 2.126 1.00 0.00 O ATOM 226 CB ALA A 15 -10.663 11.126 3.547 1.00 0.00 C ATOM 0 H ALA A 15 -11.072 8.247 3.225 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.632 10.680 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.137 11.997 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.591 11.445 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.035 10.622 4.282 1.00 0.00 H new ATOM 232 N MET A 16 -9.872 9.113 0.536 1.00 0.00 N ATOM 233 CA MET A 16 -8.738 8.769 -0.312 1.00 0.00 C ATOM 234 C MET A 16 -8.198 10.043 -0.943 1.00 0.00 C ATOM 235 O MET A 16 -7.017 10.143 -1.284 1.00 0.00 O ATOM 236 CB MET A 16 -9.136 7.761 -1.392 1.00 0.00 C ATOM 237 CG MET A 16 -9.472 6.386 -0.841 1.00 0.00 C ATOM 238 SD MET A 16 -9.755 5.159 -2.132 1.00 0.00 S ATOM 239 CE MET A 16 -11.163 5.870 -2.984 1.00 0.00 C ATOM 0 H MET A 16 -10.777 8.805 0.180 1.00 0.00 H new ATOM 0 HA MET A 16 -7.965 8.300 0.297 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.998 8.146 -1.938 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.320 7.667 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.658 6.049 -0.199 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.362 6.459 -0.215 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.618 5.116 -3.626 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.895 6.214 -2.253 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.833 6.713 -3.591 1.00 0.00 H new ATOM 249 N ASP A 17 -9.090 11.027 -1.049 1.00 0.00 N ATOM 250 CA ASP A 17 -8.760 12.357 -1.552 1.00 0.00 C ATOM 251 C ASP A 17 -7.625 12.989 -0.764 1.00 0.00 C ATOM 252 O ASP A 17 -6.805 13.727 -1.315 1.00 0.00 O ATOM 253 CB ASP A 17 -9.994 13.260 -1.475 1.00 0.00 C ATOM 254 CG ASP A 17 -9.695 14.694 -1.869 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.715 14.999 -3.080 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.432 15.518 -0.970 1.00 0.00 O ATOM 0 H ASP A 17 -10.070 10.921 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.437 12.250 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.771 12.863 -2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.390 13.241 -0.460 1.00 0.00 H new ATOM 261 N GLN A 18 -7.546 12.666 0.515 1.00 0.00 N ATOM 262 CA GLN A 18 -6.597 13.343 1.378 1.00 0.00 C ATOM 263 C GLN A 18 -5.245 12.647 1.357 1.00 0.00 C ATOM 264 O GLN A 18 -4.220 13.280 1.589 1.00 0.00 O ATOM 265 CB GLN A 18 -7.132 13.475 2.803 1.00 0.00 C ATOM 266 CG GLN A 18 -8.239 14.514 2.924 1.00 0.00 C ATOM 267 CD GLN A 18 -8.309 15.124 4.309 1.00 0.00 C ATOM 268 OE1 GLN A 18 -7.636 16.112 4.600 1.00 0.00 O ATOM 269 NE2 GLN A 18 -9.134 14.547 5.167 1.00 0.00 N ATOM 0 H GLN A 18 -8.116 11.953 0.971 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.458 14.351 0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.510 12.508 3.135 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.313 13.744 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.075 15.303 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.196 14.051 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.674 13.729 4.884 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.231 14.920 6.111 1.00 0.00 H new ATOM 278 N CYS A 19 -5.235 11.357 1.050 1.00 0.00 N ATOM 279 CA CYS A 19 -3.980 10.659 0.807 1.00 0.00 C ATOM 280 C CYS A 19 -3.405 11.124 -0.522 1.00 0.00 C ATOM 281 O CYS A 19 -2.191 11.271 -0.674 1.00 0.00 O ATOM 282 CB CYS A 19 -4.168 9.133 0.765 1.00 0.00 C ATOM 283 SG CYS A 19 -4.854 8.390 2.274 1.00 0.00 S ATOM 0 H CYS A 19 -6.071 10.778 0.964 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.302 10.891 1.629 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.823 8.888 -0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.203 8.671 0.559 1.00 0.00 H new ATOM 288 N LYS A 20 -4.300 11.392 -1.471 1.00 0.00 N ATOM 289 CA LYS A 20 -3.920 11.805 -2.803 1.00 0.00 C ATOM 290 C LYS A 20 -3.170 13.131 -2.720 1.00 0.00 C ATOM 291 O LYS A 20 -2.054 13.265 -3.217 1.00 0.00 O ATOM 292 CB LYS A 20 -5.186 11.953 -3.665 1.00 0.00 C ATOM 293 CG LYS A 20 -4.967 11.935 -5.177 1.00 0.00 C ATOM 294 CD LYS A 20 -4.137 13.112 -5.674 1.00 0.00 C ATOM 295 CE LYS A 20 -4.796 13.819 -6.845 1.00 0.00 C ATOM 296 NZ LYS A 20 -5.908 14.704 -6.406 1.00 0.00 N ATOM 0 H LYS A 20 -5.308 11.326 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.268 11.060 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.874 11.148 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.676 12.889 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.471 11.005 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.935 11.943 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.989 13.821 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.150 12.759 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.051 14.410 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.178 13.078 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.331 15.168 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.632 14.137 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.540 15.427 -5.755 1.00 0.00 H new ATOM 310 N ASP A 21 -3.786 14.097 -2.057 1.00 0.00 N ATOM 311 CA ASP A 21 -3.231 15.438 -1.981 1.00 0.00 C ATOM 312 C ASP A 21 -2.020 15.491 -1.055 1.00 0.00 C ATOM 313 O ASP A 21 -1.053 16.194 -1.335 1.00 0.00 O ATOM 314 CB ASP A 21 -4.296 16.426 -1.504 1.00 0.00 C ATOM 315 CG ASP A 21 -3.832 17.866 -1.598 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.972 18.469 -2.685 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.333 18.404 -0.588 1.00 0.00 O ATOM 0 H ASP A 21 -4.671 13.977 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.902 15.717 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.199 16.299 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.561 16.199 -0.471 1.00 0.00 H new ATOM 322 N GLU A 22 -2.059 14.732 0.036 1.00 0.00 N ATOM 323 CA GLU A 22 -0.987 14.780 1.028 1.00 0.00 C ATOM 324 C GLU A 22 0.308 14.191 0.471 1.00 0.00 C ATOM 325 O GLU A 22 1.390 14.744 0.675 1.00 0.00 O ATOM 326 CB GLU A 22 -1.385 14.030 2.299 1.00 0.00 C ATOM 327 CG GLU A 22 -0.636 14.505 3.533 1.00 0.00 C ATOM 328 CD GLU A 22 -0.892 13.651 4.756 1.00 0.00 C ATOM 329 OE1 GLU A 22 -1.979 13.775 5.356 1.00 0.00 O ATOM 330 OE2 GLU A 22 0.002 12.865 5.135 1.00 0.00 O ATOM 0 H GLU A 22 -2.813 14.082 0.256 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.818 15.829 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.456 14.149 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.201 12.965 2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.433 14.511 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.924 15.534 3.750 1.00 0.00 H new ATOM 337 N LEU A 23 0.199 13.076 -0.245 1.00 0.00 N ATOM 338 CA LEU A 23 1.379 12.404 -0.785 1.00 0.00 C ATOM 339 C LEU A 23 1.792 13.026 -2.104 1.00 0.00 C ATOM 340 O LEU A 23 2.778 12.614 -2.714 1.00 0.00 O ATOM 341 CB LEU A 23 1.118 10.904 -0.962 1.00 0.00 C ATOM 342 CG LEU A 23 0.657 10.195 0.302 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.740 8.685 0.145 1.00 0.00 C ATOM 344 CD2 LEU A 23 1.492 10.686 1.456 1.00 0.00 C ATOM 0 H LEU A 23 -0.687 12.620 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 23 2.194 12.529 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.364 10.767 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.031 10.428 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.391 10.426 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.404 8.205 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.104 8.370 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.771 8.397 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.175 10.188 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.542 10.463 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.364 11.763 1.566 1.00 0.00 H new ATOM 356 N SER A 24 1.018 14.018 -2.523 1.00 0.00 N ATOM 357 CA SER A 24 1.278 14.751 -3.753 1.00 0.00 C ATOM 358 C SER A 24 1.164 13.821 -4.958 1.00 0.00 C ATOM 359 O SER A 24 1.919 13.951 -5.924 1.00 0.00 O ATOM 360 CB SER A 24 2.663 15.414 -3.703 1.00 0.00 C ATOM 361 OG SER A 24 2.877 16.252 -4.828 1.00 0.00 O ATOM 0 H SER A 24 0.191 14.337 -2.018 1.00 0.00 H new ATOM 0 HA SER A 24 0.530 15.537 -3.855 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.755 16.000 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.435 14.645 -3.668 1.00 0.00 H new ATOM 0 HG SER A 24 2.612 15.778 -5.644 1.00 0.00 H new ATOM 367 N LEU A 25 0.213 12.884 -4.888 1.00 0.00 N ATOM 368 CA LEU A 25 -0.069 11.982 -6.015 1.00 0.00 C ATOM 369 C LEU A 25 -0.231 12.770 -7.309 1.00 0.00 C ATOM 370 O LEU A 25 -1.129 13.606 -7.424 1.00 0.00 O ATOM 371 CB LEU A 25 -1.390 11.217 -5.822 1.00 0.00 C ATOM 372 CG LEU A 25 -1.453 10.074 -4.790 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.850 8.808 -5.352 1.00 0.00 C ATOM 374 CD2 LEU A 25 -0.769 10.441 -3.494 1.00 0.00 C ATOM 0 H LEU A 25 -0.373 12.729 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 25 0.773 11.292 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.155 11.945 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.673 10.802 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.507 9.901 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.906 8.016 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.401 8.507 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.193 8.987 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.838 9.606 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.280 10.666 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.254 11.316 -3.061 1.00 0.00 H new ATOM 386 N PRO A 26 0.616 12.515 -8.305 1.00 0.00 N ATOM 387 CA PRO A 26 0.399 13.003 -9.656 1.00 0.00 C ATOM 388 C PRO A 26 -0.713 12.206 -10.321 1.00 0.00 C ATOM 389 O PRO A 26 -0.959 11.046 -9.954 1.00 0.00 O ATOM 390 CB PRO A 26 1.746 12.764 -10.361 1.00 0.00 C ATOM 391 CG PRO A 26 2.702 12.421 -9.265 1.00 0.00 C ATOM 392 CD PRO A 26 1.869 11.774 -8.203 1.00 0.00 C ATOM 0 HA PRO A 26 0.096 14.050 -9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.673 11.955 -11.088 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.070 13.652 -10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.481 11.746 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.201 13.312 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.729 10.709 -8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.320 11.870 -7.216 1.00 0.00 H new ATOM 400 N ASP A 27 -1.382 12.815 -11.288 1.00 0.00 N ATOM 401 CA ASP A 27 -2.521 12.184 -11.951 1.00 0.00 C ATOM 402 C ASP A 27 -2.162 10.828 -12.545 1.00 0.00 C ATOM 403 O ASP A 27 -2.975 9.908 -12.533 1.00 0.00 O ATOM 404 CB ASP A 27 -3.086 13.097 -13.039 1.00 0.00 C ATOM 405 CG ASP A 27 -2.013 13.662 -13.951 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.409 12.894 -14.728 1.00 0.00 O ATOM 407 OD2 ASP A 27 -1.767 14.885 -13.890 1.00 0.00 O ATOM 0 H ASP A 27 -1.158 13.748 -11.634 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.282 12.020 -11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.807 12.539 -13.637 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.628 13.919 -12.571 1.00 0.00 H new ATOM 412 N SER A 28 -0.929 10.691 -12.998 1.00 0.00 N ATOM 413 CA SER A 28 -0.492 9.485 -13.676 1.00 0.00 C ATOM 414 C SER A 28 -0.485 8.273 -12.737 1.00 0.00 C ATOM 415 O SER A 28 -1.099 7.245 -13.039 1.00 0.00 O ATOM 416 CB SER A 28 0.890 9.723 -14.270 1.00 0.00 C ATOM 417 OG SER A 28 0.901 10.932 -15.015 1.00 0.00 O ATOM 0 H SER A 28 -0.208 11.407 -12.907 1.00 0.00 H new ATOM 0 HA SER A 28 -1.199 9.257 -14.474 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.633 9.771 -13.474 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.166 8.888 -14.914 1.00 0.00 H new ATOM 0 HG SER A 28 1.794 11.076 -15.391 1.00 0.00 H new ATOM 423 N VAL A 29 0.184 8.396 -11.592 1.00 0.00 N ATOM 424 CA VAL A 29 0.305 7.277 -10.672 1.00 0.00 C ATOM 425 C VAL A 29 -1.022 6.955 -9.999 1.00 0.00 C ATOM 426 O VAL A 29 -1.445 5.805 -10.009 1.00 0.00 O ATOM 427 CB VAL A 29 1.364 7.516 -9.589 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.534 6.256 -8.754 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.689 7.939 -10.205 1.00 0.00 C ATOM 0 H VAL A 29 0.645 9.252 -11.285 1.00 0.00 H new ATOM 0 HA VAL A 29 0.618 6.430 -11.283 1.00 0.00 H new ATOM 0 HB VAL A 29 1.028 8.327 -8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.287 6.428 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.585 6.001 -8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.852 5.434 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.422 8.102 -9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.045 7.156 -10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.550 8.862 -10.767 1.00 0.00 H new ATOM 439 N VAL A 30 -1.691 7.960 -9.423 1.00 0.00 N ATOM 440 CA VAL A 30 -2.925 7.702 -8.687 1.00 0.00 C ATOM 441 C VAL A 30 -3.987 7.059 -9.593 1.00 0.00 C ATOM 442 O VAL A 30 -4.764 6.209 -9.152 1.00 0.00 O ATOM 443 CB VAL A 30 -3.471 8.959 -7.995 1.00 0.00 C ATOM 444 CG1 VAL A 30 -4.017 9.951 -8.980 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.526 8.588 -6.964 1.00 0.00 C ATOM 0 H VAL A 30 -1.404 8.938 -9.452 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.678 6.993 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.635 9.437 -7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.392 10.824 -8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.226 10.256 -9.665 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.830 9.494 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.900 9.493 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.350 8.071 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.085 7.935 -6.211 1.00 0.00 H new ATOM 455 N ALA A 31 -3.982 7.435 -10.872 1.00 0.00 N ATOM 456 CA ALA A 31 -4.898 6.857 -11.850 1.00 0.00 C ATOM 457 C ALA A 31 -4.595 5.385 -12.099 1.00 0.00 C ATOM 458 O ALA A 31 -5.490 4.541 -12.050 1.00 0.00 O ATOM 459 CB ALA A 31 -4.798 7.608 -13.157 1.00 0.00 C ATOM 0 H ALA A 31 -3.351 8.140 -11.254 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.907 6.940 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.485 7.170 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.058 8.654 -12.996 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.779 7.542 -13.537 1.00 0.00 H new ATOM 465 N ASP A 32 -3.331 5.089 -12.389 1.00 0.00 N ATOM 466 CA ASP A 32 -2.912 3.719 -12.679 1.00 0.00 C ATOM 467 C ASP A 32 -3.018 2.863 -11.423 1.00 0.00 C ATOM 468 O ASP A 32 -3.287 1.668 -11.491 1.00 0.00 O ATOM 469 CB ASP A 32 -1.479 3.702 -13.219 1.00 0.00 C ATOM 470 CG ASP A 32 -1.069 2.342 -13.747 1.00 0.00 C ATOM 471 OD1 ASP A 32 -1.737 1.837 -14.674 1.00 0.00 O ATOM 472 OD2 ASP A 32 -0.053 1.790 -13.270 1.00 0.00 O ATOM 0 H ASP A 32 -2.579 5.777 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.571 3.304 -13.442 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.387 4.440 -14.016 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.793 4.002 -12.427 1.00 0.00 H new ATOM 477 N LEU A 33 -2.784 3.497 -10.283 1.00 0.00 N ATOM 478 CA LEU A 33 -3.018 2.894 -8.977 1.00 0.00 C ATOM 479 C LEU A 33 -4.402 2.250 -8.909 1.00 0.00 C ATOM 480 O LEU A 33 -4.536 1.070 -8.592 1.00 0.00 O ATOM 481 CB LEU A 33 -2.900 3.980 -7.905 1.00 0.00 C ATOM 482 CG LEU A 33 -2.851 3.496 -6.463 1.00 0.00 C ATOM 483 CD1 LEU A 33 -1.584 2.694 -6.234 1.00 0.00 C ATOM 484 CD2 LEU A 33 -2.917 4.678 -5.510 1.00 0.00 C ATOM 0 H LEU A 33 -2.424 4.450 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.275 2.114 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.999 4.560 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.746 4.659 -8.010 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.711 2.854 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.553 2.350 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.572 1.834 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.715 3.321 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.881 4.319 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.071 5.340 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.847 5.224 -5.671 1.00 0.00 H new ATOM 496 N TYR A 34 -5.428 3.044 -9.200 1.00 0.00 N ATOM 497 CA TYR A 34 -6.813 2.554 -9.235 1.00 0.00 C ATOM 498 C TYR A 34 -7.114 1.506 -10.339 1.00 0.00 C ATOM 499 O TYR A 34 -8.290 1.253 -10.611 1.00 0.00 O ATOM 500 CB TYR A 34 -7.782 3.731 -9.357 1.00 0.00 C ATOM 501 CG TYR A 34 -7.788 4.620 -8.135 1.00 0.00 C ATOM 502 CD1 TYR A 34 -7.936 4.073 -6.868 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.635 5.997 -8.242 1.00 0.00 C ATOM 504 CE1 TYR A 34 -7.927 4.869 -5.743 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.629 6.801 -7.119 1.00 0.00 C ATOM 506 CZ TYR A 34 -7.773 6.231 -5.873 1.00 0.00 C ATOM 507 OH TYR A 34 -7.751 7.022 -4.749 1.00 0.00 O ATOM 0 H TYR A 34 -5.331 4.036 -9.417 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.954 2.028 -8.291 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.515 4.325 -10.231 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.789 3.349 -9.527 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.060 3.005 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.519 6.445 -9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.040 4.427 -4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.512 7.870 -7.217 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.634 7.959 -5.011 1.00 0.00 H new ATOM 517 N ASN A 35 -6.094 0.917 -10.990 1.00 0.00 N ATOM 518 CA ASN A 35 -6.314 0.039 -12.141 1.00 0.00 C ATOM 519 C ASN A 35 -7.297 -1.084 -11.818 1.00 0.00 C ATOM 520 O ASN A 35 -7.084 -1.877 -10.899 1.00 0.00 O ATOM 521 CB ASN A 35 -4.989 -0.559 -12.621 1.00 0.00 C ATOM 522 CG ASN A 35 -5.152 -1.410 -13.865 1.00 0.00 C ATOM 523 OD1 ASN A 35 -6.067 -1.199 -14.661 1.00 0.00 O ATOM 524 ND2 ASN A 35 -4.259 -2.368 -14.052 1.00 0.00 N ATOM 0 H ASN A 35 -5.114 1.036 -10.735 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.745 0.649 -12.934 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.284 0.246 -12.826 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.558 -1.165 -11.824 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.315 -2.963 -14.879 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.515 -2.512 -13.369 1.00 0.00 H new ATOM 531 N PHE A 36 -8.370 -1.140 -12.595 1.00 0.00 N ATOM 532 CA PHE A 36 -9.426 -2.119 -12.391 1.00 0.00 C ATOM 533 C PHE A 36 -8.958 -3.517 -12.790 1.00 0.00 C ATOM 534 O PHE A 36 -9.358 -4.513 -12.185 1.00 0.00 O ATOM 535 CB PHE A 36 -10.661 -1.717 -13.203 1.00 0.00 C ATOM 536 CG PHE A 36 -11.862 -2.591 -12.976 1.00 0.00 C ATOM 537 CD1 PHE A 36 -12.691 -2.380 -11.885 1.00 0.00 C ATOM 538 CD2 PHE A 36 -12.165 -3.620 -13.854 1.00 0.00 C ATOM 539 CE1 PHE A 36 -13.798 -3.177 -11.675 1.00 0.00 C ATOM 540 CE2 PHE A 36 -13.272 -4.421 -13.648 1.00 0.00 C ATOM 541 CZ PHE A 36 -14.088 -4.199 -12.557 1.00 0.00 C ATOM 0 H PHE A 36 -8.532 -0.510 -13.381 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.683 -2.142 -11.332 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.924 -0.688 -12.958 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.407 -1.737 -14.263 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.468 -1.583 -11.191 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.529 -3.798 -14.708 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.437 -3.002 -10.822 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -13.498 -5.219 -14.339 1.00 0.00 H new ATOM 0 HZ PHE A 36 -14.953 -4.825 -12.393 1.00 0.00 H new ATOM 551 N TRP A 37 -8.100 -3.583 -13.798 1.00 0.00 N ATOM 552 CA TRP A 37 -7.623 -4.859 -14.310 1.00 0.00 C ATOM 553 C TRP A 37 -6.532 -5.431 -13.416 1.00 0.00 C ATOM 554 O TRP A 37 -5.720 -4.697 -12.854 1.00 0.00 O ATOM 555 CB TRP A 37 -7.117 -4.704 -15.746 1.00 0.00 C ATOM 556 CG TRP A 37 -8.200 -4.332 -16.715 1.00 0.00 C ATOM 557 CD1 TRP A 37 -8.963 -5.186 -17.459 1.00 0.00 C ATOM 558 CD2 TRP A 37 -8.645 -3.010 -17.044 1.00 0.00 C ATOM 559 NE1 TRP A 37 -9.852 -4.476 -18.228 1.00 0.00 N ATOM 560 CE2 TRP A 37 -9.677 -3.140 -17.990 1.00 0.00 C ATOM 561 CE3 TRP A 37 -8.273 -1.729 -16.629 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -10.339 -2.040 -18.524 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -8.929 -0.638 -17.161 1.00 0.00 C ATOM 564 CH2 TRP A 37 -9.952 -0.800 -18.100 1.00 0.00 C ATOM 0 H TRP A 37 -7.720 -2.767 -14.278 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.459 -5.559 -14.311 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.339 -3.941 -15.770 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.657 -5.639 -16.066 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.879 -6.263 -17.445 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.532 -4.879 -18.872 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.484 -1.595 -15.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -11.131 -2.161 -19.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -8.648 0.356 -16.847 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.447 0.073 -18.499 1.00 0.00 H new ATOM 575 N LYS A 38 -6.514 -6.747 -13.303 1.00 0.00 N ATOM 576 CA LYS A 38 -5.623 -7.429 -12.380 1.00 0.00 C ATOM 577 C LYS A 38 -4.305 -7.767 -13.064 1.00 0.00 C ATOM 578 O LYS A 38 -3.887 -8.925 -13.099 1.00 0.00 O ATOM 579 CB LYS A 38 -6.284 -8.702 -11.834 1.00 0.00 C ATOM 580 CG LYS A 38 -7.524 -8.452 -10.976 1.00 0.00 C ATOM 581 CD LYS A 38 -8.707 -7.946 -11.792 1.00 0.00 C ATOM 582 CE LYS A 38 -9.898 -7.603 -10.910 1.00 0.00 C ATOM 583 NZ LYS A 38 -10.470 -8.806 -10.252 1.00 0.00 N ATOM 0 H LYS A 38 -7.113 -7.370 -13.845 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.418 -6.761 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.560 -9.341 -12.672 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.552 -9.251 -11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.804 -9.376 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.284 -7.725 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.407 -7.063 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.999 -8.705 -12.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.591 -6.886 -10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.667 -7.119 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.319 -8.537 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.725 -9.509 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.766 -9.215 -9.605 1.00 0.00 H new ATOM 597 N ASP A 39 -3.684 -6.739 -13.629 1.00 0.00 N ATOM 598 CA ASP A 39 -2.379 -6.863 -14.300 1.00 0.00 C ATOM 599 C ASP A 39 -1.342 -7.725 -13.540 1.00 0.00 C ATOM 600 O ASP A 39 -0.651 -8.524 -14.174 1.00 0.00 O ATOM 601 CB ASP A 39 -1.793 -5.473 -14.561 1.00 0.00 C ATOM 602 CG ASP A 39 -0.507 -5.529 -15.362 1.00 0.00 C ATOM 603 OD1 ASP A 39 -0.578 -5.710 -16.594 1.00 0.00 O ATOM 604 OD2 ASP A 39 0.578 -5.396 -14.768 1.00 0.00 O ATOM 0 H ASP A 39 -4.064 -5.792 -13.639 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.580 -7.387 -15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.525 -4.868 -15.096 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.604 -4.977 -13.609 1.00 0.00 H new ATOM 609 N ASP A 40 -1.227 -7.578 -12.205 1.00 0.00 N ATOM 610 CA ASP A 40 -0.200 -8.282 -11.429 1.00 0.00 C ATOM 611 C ASP A 40 1.187 -7.831 -11.876 1.00 0.00 C ATOM 612 O ASP A 40 1.918 -8.565 -12.543 1.00 0.00 O ATOM 613 CB ASP A 40 -0.342 -9.807 -11.549 1.00 0.00 C ATOM 614 CG ASP A 40 0.474 -10.554 -10.509 1.00 0.00 C ATOM 615 OD1 ASP A 40 -0.038 -10.763 -9.389 1.00 0.00 O ATOM 616 OD2 ASP A 40 1.626 -10.943 -10.800 1.00 0.00 O ATOM 0 H ASP A 40 -1.834 -6.978 -11.647 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.336 -8.028 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.392 -10.079 -11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.028 -10.120 -12.545 1.00 0.00 H new ATOM 621 N TYR A 41 1.519 -6.595 -11.540 1.00 0.00 N ATOM 622 CA TYR A 41 2.767 -5.985 -11.979 1.00 0.00 C ATOM 623 C TYR A 41 3.776 -5.884 -10.845 1.00 0.00 C ATOM 624 O TYR A 41 3.481 -6.211 -9.694 1.00 0.00 O ATOM 625 CB TYR A 41 2.505 -4.588 -12.557 1.00 0.00 C ATOM 626 CG TYR A 41 1.566 -3.732 -11.728 1.00 0.00 C ATOM 627 CD1 TYR A 41 1.887 -3.362 -10.428 1.00 0.00 C ATOM 628 CD2 TYR A 41 0.355 -3.297 -12.254 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.031 -2.585 -9.677 1.00 0.00 C ATOM 630 CE2 TYR A 41 -0.506 -2.516 -11.507 1.00 0.00 C ATOM 631 CZ TYR A 41 -0.163 -2.164 -10.220 1.00 0.00 C ATOM 632 OH TYR A 41 -1.013 -1.386 -9.471 1.00 0.00 O ATOM 0 H TYR A 41 0.938 -5.989 -10.960 1.00 0.00 H new ATOM 0 HA TYR A 41 3.187 -6.629 -12.752 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.457 -4.067 -12.660 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.090 -4.695 -13.559 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.823 -3.688 -9.999 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.083 -3.574 -13.262 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.295 -2.308 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.443 -2.183 -11.930 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.811 -1.172 -9.998 1.00 0.00 H new ATOM 642 N VAL A 42 4.970 -5.425 -11.186 1.00 0.00 N ATOM 643 CA VAL A 42 5.997 -5.151 -10.199 1.00 0.00 C ATOM 644 C VAL A 42 5.792 -3.761 -9.616 1.00 0.00 C ATOM 645 O VAL A 42 5.706 -2.777 -10.351 1.00 0.00 O ATOM 646 CB VAL A 42 7.411 -5.239 -10.812 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.470 -4.847 -9.795 1.00 0.00 C ATOM 648 CG2 VAL A 42 7.676 -6.636 -11.348 1.00 0.00 C ATOM 0 H VAL A 42 5.251 -5.234 -12.148 1.00 0.00 H new ATOM 0 HA VAL A 42 5.914 -5.904 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 42 7.463 -4.535 -11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.457 -4.917 -10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.296 -3.823 -9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.418 -5.519 -8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.678 -6.678 -11.776 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.598 -7.358 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.942 -6.876 -12.118 1.00 0.00 H new ATOM 658 N MET A 43 5.693 -3.682 -8.300 1.00 0.00 N ATOM 659 CA MET A 43 5.528 -2.399 -7.639 1.00 0.00 C ATOM 660 C MET A 43 6.860 -1.666 -7.573 1.00 0.00 C ATOM 661 O MET A 43 7.683 -1.920 -6.699 1.00 0.00 O ATOM 662 CB MET A 43 4.933 -2.586 -6.241 1.00 0.00 C ATOM 663 CG MET A 43 4.657 -1.283 -5.507 1.00 0.00 C ATOM 664 SD MET A 43 3.745 -1.535 -3.969 1.00 0.00 S ATOM 665 CE MET A 43 4.828 -2.674 -3.110 1.00 0.00 C ATOM 0 H MET A 43 5.724 -4.485 -7.672 1.00 0.00 H new ATOM 0 HA MET A 43 4.833 -1.793 -8.220 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.003 -3.148 -6.325 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.617 -3.190 -5.644 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.602 -0.786 -5.288 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.090 -0.617 -6.157 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.883 -2.399 -2.057 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.436 -3.687 -3.201 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.825 -2.630 -3.549 1.00 0.00 H new ATOM 675 N THR A 44 7.071 -0.785 -8.540 1.00 0.00 N ATOM 676 CA THR A 44 8.294 -0.001 -8.620 1.00 0.00 C ATOM 677 C THR A 44 8.052 1.424 -8.150 1.00 0.00 C ATOM 678 O THR A 44 8.890 2.018 -7.470 1.00 0.00 O ATOM 679 CB THR A 44 8.832 0.034 -10.063 1.00 0.00 C ATOM 680 OG1 THR A 44 7.748 0.265 -10.979 1.00 0.00 O ATOM 681 CG2 THR A 44 9.547 -1.263 -10.417 1.00 0.00 C ATOM 0 H THR A 44 6.403 -0.594 -9.287 1.00 0.00 H new ATOM 0 HA THR A 44 9.030 -0.478 -7.972 1.00 0.00 H new ATOM 0 HB THR A 44 9.554 0.847 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.094 0.288 -11.896 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.915 -1.208 -11.441 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.386 -1.413 -9.737 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.852 -2.098 -10.326 1.00 0.00 H new ATOM 689 N ASP A 45 6.894 1.961 -8.514 1.00 0.00 N ATOM 690 CA ASP A 45 6.537 3.322 -8.150 1.00 0.00 C ATOM 691 C ASP A 45 6.287 3.412 -6.666 1.00 0.00 C ATOM 692 O ASP A 45 5.438 2.710 -6.106 1.00 0.00 O ATOM 693 CB ASP A 45 5.313 3.793 -8.922 1.00 0.00 C ATOM 694 CG ASP A 45 5.158 5.293 -8.851 1.00 0.00 C ATOM 695 OD1 ASP A 45 4.716 5.801 -7.802 1.00 0.00 O ATOM 696 OD2 ASP A 45 5.516 5.972 -9.839 1.00 0.00 O ATOM 0 H ASP A 45 6.186 1.472 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 45 7.370 3.974 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.397 3.484 -9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.421 3.314 -8.519 1.00 0.00 H new ATOM 701 N ARG A 46 7.006 4.319 -6.047 1.00 0.00 N ATOM 702 CA ARG A 46 7.065 4.376 -4.604 1.00 0.00 C ATOM 703 C ARG A 46 5.825 5.067 -4.096 1.00 0.00 C ATOM 704 O ARG A 46 5.346 4.785 -3.001 1.00 0.00 O ATOM 705 CB ARG A 46 8.314 5.121 -4.112 1.00 0.00 C ATOM 706 CG ARG A 46 9.655 4.546 -4.570 1.00 0.00 C ATOM 707 CD ARG A 46 9.878 4.793 -6.049 1.00 0.00 C ATOM 708 NE ARG A 46 11.173 4.320 -6.517 1.00 0.00 N ATOM 709 CZ ARG A 46 12.009 5.060 -7.241 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.724 6.331 -7.496 1.00 0.00 N ATOM 711 NH2 ARG A 46 13.138 4.539 -7.700 1.00 0.00 N ATOM 0 H ARG A 46 7.561 5.031 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 46 7.121 3.357 -4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.251 6.157 -4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.300 5.136 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.464 4.999 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.683 3.475 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.090 4.298 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.793 5.861 -6.250 1.00 0.00 H new ATOM 0 HE ARG A 46 11.455 3.370 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.863 6.743 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.366 6.896 -8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.370 3.566 -7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.775 5.111 -8.254 1.00 0.00 H new ATOM 725 N LEU A 47 5.283 5.943 -4.928 1.00 0.00 N ATOM 726 CA LEU A 47 4.097 6.677 -4.586 1.00 0.00 C ATOM 727 C LEU A 47 2.893 5.736 -4.552 1.00 0.00 C ATOM 728 O LEU A 47 1.882 6.025 -3.907 1.00 0.00 O ATOM 729 CB LEU A 47 3.900 7.826 -5.581 1.00 0.00 C ATOM 730 CG LEU A 47 2.556 8.506 -5.515 1.00 0.00 C ATOM 731 CD1 LEU A 47 2.547 9.582 -4.451 1.00 0.00 C ATOM 732 CD2 LEU A 47 2.204 9.067 -6.862 1.00 0.00 C ATOM 0 H LEU A 47 5.658 6.157 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 47 4.201 7.111 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.676 8.572 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.046 7.441 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 47 1.801 7.770 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.567 10.058 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.762 9.135 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.306 10.329 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.232 9.557 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.960 9.792 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.164 8.260 -7.593 1.00 0.00 H new ATOM 744 N ALA A 48 3.031 4.574 -5.195 1.00 0.00 N ATOM 745 CA ALA A 48 1.980 3.587 -5.182 1.00 0.00 C ATOM 746 C ALA A 48 2.037 2.870 -3.852 1.00 0.00 C ATOM 747 O ALA A 48 1.086 2.892 -3.075 1.00 0.00 O ATOM 748 CB ALA A 48 2.145 2.607 -6.332 1.00 0.00 C ATOM 0 H ALA A 48 3.860 4.306 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 48 1.010 4.068 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.341 1.872 -6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.108 3.147 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.105 2.099 -6.242 1.00 0.00 H new ATOM 754 N GLY A 49 3.185 2.234 -3.618 1.00 0.00 N ATOM 755 CA GLY A 49 3.528 1.726 -2.295 1.00 0.00 C ATOM 756 C GLY A 49 3.099 2.629 -1.132 1.00 0.00 C ATOM 757 O GLY A 49 2.520 2.137 -0.164 1.00 0.00 O ATOM 0 H GLY A 49 3.893 2.059 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.067 0.747 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.607 1.580 -2.245 1.00 0.00 H new ATOM 761 N CYS A 50 3.362 3.943 -1.210 1.00 0.00 N ATOM 762 CA CYS A 50 3.031 4.845 -0.116 1.00 0.00 C ATOM 763 C CYS A 50 1.514 4.952 0.054 1.00 0.00 C ATOM 764 O CYS A 50 0.997 4.883 1.170 1.00 0.00 O ATOM 765 CB CYS A 50 3.624 6.240 -0.372 1.00 0.00 C ATOM 766 SG CYS A 50 5.453 6.313 -0.495 1.00 0.00 S ATOM 0 H CYS A 50 3.799 4.393 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 50 3.460 4.439 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.200 6.632 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.305 6.904 0.431 1.00 0.00 H new ATOM 771 N ALA A 51 0.805 5.077 -1.068 1.00 0.00 N ATOM 772 CA ALA A 51 -0.647 5.234 -1.051 1.00 0.00 C ATOM 773 C ALA A 51 -1.347 3.977 -0.534 1.00 0.00 C ATOM 774 O ALA A 51 -2.488 4.037 -0.075 1.00 0.00 O ATOM 775 CB ALA A 51 -1.152 5.585 -2.442 1.00 0.00 C ATOM 0 H ALA A 51 1.215 5.072 -2.002 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.885 6.048 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.236 5.700 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.696 6.519 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.887 4.788 -3.137 1.00 0.00 H new ATOM 781 N ILE A 52 -0.661 2.841 -0.616 1.00 0.00 N ATOM 782 CA ILE A 52 -1.211 1.576 -0.136 1.00 0.00 C ATOM 783 C ILE A 52 -1.490 1.631 1.369 1.00 0.00 C ATOM 784 O ILE A 52 -2.482 1.072 1.852 1.00 0.00 O ATOM 785 CB ILE A 52 -0.259 0.391 -0.440 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.036 0.248 -1.950 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.803 -0.909 0.137 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.303 -0.011 -2.740 1.00 0.00 C ATOM 0 H ILE A 52 0.277 2.770 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.149 1.416 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 52 0.699 0.603 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.434 1.157 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.664 -0.569 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.116 -1.724 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.906 -0.812 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.777 -1.123 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.060 -0.100 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.764 -0.936 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.998 0.817 -2.595 1.00 0.00 H new ATOM 800 N ASN A 53 -0.633 2.320 2.111 1.00 0.00 N ATOM 801 CA ASN A 53 -0.779 2.379 3.560 1.00 0.00 C ATOM 802 C ASN A 53 -0.909 3.820 4.025 1.00 0.00 C ATOM 803 O ASN A 53 0.051 4.404 4.528 1.00 0.00 O ATOM 804 CB ASN A 53 0.412 1.723 4.277 1.00 0.00 C ATOM 805 CG ASN A 53 0.580 0.241 3.979 1.00 0.00 C ATOM 806 OD1 ASN A 53 -0.507 -0.437 3.637 1.00 0.00 O flip ATOM 807 ND2 ASN A 53 1.689 -0.292 4.056 1.00 0.00 N flip ATOM 0 H ASN A 53 0.162 2.840 1.739 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.684 1.828 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.325 2.245 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.292 1.855 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.503 0.261 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.792 -1.286 3.853 1.00 0.00 H new ATOM 814 N CYS A 54 -2.084 4.409 3.843 1.00 0.00 N ATOM 815 CA CYS A 54 -2.276 5.794 4.245 1.00 0.00 C ATOM 816 C CYS A 54 -3.466 5.964 5.196 1.00 0.00 C ATOM 817 O CYS A 54 -3.328 6.580 6.235 1.00 0.00 O ATOM 818 CB CYS A 54 -2.465 6.687 3.015 1.00 0.00 C ATOM 819 SG CYS A 54 -4.087 6.510 2.202 1.00 0.00 S ATOM 0 H CYS A 54 -2.901 3.961 3.429 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.377 6.096 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.332 7.727 3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.682 6.459 2.291 1.00 0.00 H new ATOM 824 N LEU A 55 -4.613 5.374 4.873 1.00 0.00 N ATOM 825 CA LEU A 55 -5.859 5.687 5.582 1.00 0.00 C ATOM 826 C LEU A 55 -5.787 5.291 7.060 1.00 0.00 C ATOM 827 O LEU A 55 -5.769 6.149 7.951 1.00 0.00 O ATOM 828 CB LEU A 55 -7.040 4.997 4.886 1.00 0.00 C ATOM 829 CG LEU A 55 -8.437 5.512 5.253 1.00 0.00 C ATOM 830 CD1 LEU A 55 -9.416 5.201 4.134 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.928 4.889 6.553 1.00 0.00 C ATOM 0 H LEU A 55 -4.710 4.681 4.131 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.007 6.766 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.910 5.099 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.997 3.932 5.113 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.373 6.591 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.406 5.570 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.085 5.686 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.461 4.123 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.921 5.273 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.974 3.806 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.241 5.142 7.360 1.00 0.00 H new ATOM 843 N ALA A 56 -5.685 3.998 7.321 1.00 0.00 N ATOM 844 CA ALA A 56 -5.737 3.505 8.690 1.00 0.00 C ATOM 845 C ALA A 56 -4.382 3.665 9.351 1.00 0.00 C ATOM 846 O ALA A 56 -4.248 3.548 10.567 1.00 0.00 O ATOM 847 CB ALA A 56 -6.180 2.049 8.718 1.00 0.00 C ATOM 0 H ALA A 56 -5.567 3.275 6.611 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.468 4.092 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.213 1.698 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.171 1.962 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.473 1.443 8.151 1.00 0.00 H new ATOM 853 N THR A 57 -3.382 3.955 8.536 1.00 0.00 N ATOM 854 CA THR A 57 -2.051 4.210 9.033 1.00 0.00 C ATOM 855 C THR A 57 -1.908 5.673 9.478 1.00 0.00 C ATOM 856 O THR A 57 -1.189 5.977 10.429 1.00 0.00 O ATOM 857 CB THR A 57 -0.997 3.847 7.970 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.173 2.484 7.560 1.00 0.00 O ATOM 859 CG2 THR A 57 0.400 4.041 8.512 1.00 0.00 C ATOM 0 H THR A 57 -3.473 4.019 7.522 1.00 0.00 H new ATOM 0 HA THR A 57 -1.882 3.578 9.905 1.00 0.00 H new ATOM 0 HB THR A 57 -1.129 4.506 7.112 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.296 2.061 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.128 3.779 7.744 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.537 5.083 8.801 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.545 3.401 9.383 1.00 0.00 H new ATOM 867 N LYS A 58 -2.608 6.577 8.796 1.00 0.00 N ATOM 868 CA LYS A 58 -2.634 7.979 9.192 1.00 0.00 C ATOM 869 C LYS A 58 -3.517 8.194 10.413 1.00 0.00 C ATOM 870 O LYS A 58 -3.344 9.175 11.137 1.00 0.00 O ATOM 871 CB LYS A 58 -3.127 8.864 8.045 1.00 0.00 C ATOM 872 CG LYS A 58 -2.067 9.199 7.002 1.00 0.00 C ATOM 873 CD LYS A 58 -1.425 10.554 7.268 1.00 0.00 C ATOM 874 CE LYS A 58 -2.477 11.600 7.606 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.881 12.930 7.878 1.00 0.00 N ATOM 0 H LYS A 58 -3.163 6.362 7.968 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.612 8.259 9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.960 8.364 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.515 9.794 8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.299 8.426 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.519 9.199 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.715 10.469 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.861 10.871 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.183 11.683 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.044 11.273 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.439 13.418 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.904 12.811 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.881 13.496 7.005 1.00 0.00 H new ATOM 889 N LEU A 59 -4.464 7.287 10.638 1.00 0.00 N ATOM 890 CA LEU A 59 -5.314 7.373 11.814 1.00 0.00 C ATOM 891 C LEU A 59 -4.486 7.216 13.087 1.00 0.00 C ATOM 892 O LEU A 59 -4.349 8.168 13.857 1.00 0.00 O ATOM 893 CB LEU A 59 -6.410 6.319 11.761 1.00 0.00 C ATOM 894 CG LEU A 59 -7.407 6.481 10.612 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.660 5.701 10.920 1.00 0.00 C ATOM 896 CD2 LEU A 59 -7.741 7.948 10.380 1.00 0.00 C ATOM 0 H LEU A 59 -4.658 6.494 10.027 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.782 8.357 11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.945 5.336 11.683 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.958 6.338 12.703 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.954 6.094 9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.371 5.816 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.412 4.646 11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.105 6.076 11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.452 8.034 9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.180 8.369 11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.831 8.493 10.131 1.00 0.00 H new ATOM 908 N ASP A 60 -3.918 6.030 13.293 1.00 0.00 N ATOM 909 CA ASP A 60 -3.077 5.772 14.461 1.00 0.00 C ATOM 910 C ASP A 60 -2.519 4.360 14.395 1.00 0.00 C ATOM 911 O ASP A 60 -3.279 3.397 14.301 1.00 0.00 O ATOM 912 CB ASP A 60 -3.862 5.957 15.761 1.00 0.00 C ATOM 913 CG ASP A 60 -2.949 6.047 16.965 1.00 0.00 C ATOM 914 OD1 ASP A 60 -2.349 7.118 17.174 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.824 5.049 17.707 1.00 0.00 O ATOM 0 H ASP A 60 -4.024 5.232 12.667 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.257 6.490 14.452 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.465 6.862 15.695 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.552 5.123 15.890 1.00 0.00 H new ATOM 920 N VAL A 61 -1.198 4.237 14.451 1.00 0.00 N ATOM 921 CA VAL A 61 -0.543 2.946 14.268 1.00 0.00 C ATOM 922 C VAL A 61 0.979 3.099 14.417 1.00 0.00 C ATOM 923 O VAL A 61 1.772 2.396 13.784 1.00 0.00 O ATOM 924 CB VAL A 61 -0.900 2.376 12.869 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.281 3.218 11.768 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.491 0.923 12.729 1.00 0.00 C ATOM 0 H VAL A 61 -0.560 5.014 14.621 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.893 2.252 15.032 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.985 2.420 12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.545 2.799 10.797 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.656 4.239 11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.803 3.222 11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.759 0.564 11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.586 0.833 12.869 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.006 0.326 13.482 1.00 0.00 H new ATOM 936 N VAL A 62 1.397 3.993 15.299 1.00 0.00 N ATOM 937 CA VAL A 62 2.801 4.354 15.363 1.00 0.00 C ATOM 938 C VAL A 62 3.540 3.613 16.484 1.00 0.00 C ATOM 939 O VAL A 62 3.268 3.795 17.672 1.00 0.00 O ATOM 940 CB VAL A 62 2.991 5.885 15.486 1.00 0.00 C ATOM 941 CG1 VAL A 62 2.347 6.587 14.302 1.00 0.00 C ATOM 942 CG2 VAL A 62 2.424 6.432 16.787 1.00 0.00 C ATOM 0 H VAL A 62 0.796 4.473 15.968 1.00 0.00 H new ATOM 0 HA VAL A 62 3.247 4.038 14.420 1.00 0.00 H new ATOM 0 HB VAL A 62 4.063 6.081 15.490 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.486 7.664 14.398 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.811 6.242 13.378 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.281 6.359 14.280 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.581 7.510 16.828 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.356 6.219 16.837 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.928 5.960 17.630 1.00 0.00 H new ATOM 952 N ASP A 63 4.473 2.750 16.080 1.00 0.00 N ATOM 953 CA ASP A 63 5.297 1.996 17.024 1.00 0.00 C ATOM 954 C ASP A 63 6.268 2.905 17.792 1.00 0.00 C ATOM 955 O ASP A 63 6.245 2.926 19.022 1.00 0.00 O ATOM 956 CB ASP A 63 6.088 0.902 16.288 1.00 0.00 C ATOM 957 CG ASP A 63 6.274 -0.351 17.115 1.00 0.00 C ATOM 958 OD1 ASP A 63 7.116 -0.348 18.035 1.00 0.00 O ATOM 959 OD2 ASP A 63 5.598 -1.356 16.819 1.00 0.00 O ATOM 0 H ASP A 63 4.677 2.556 15.100 1.00 0.00 H new ATOM 0 HA ASP A 63 4.622 1.538 17.747 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.570 0.647 15.363 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.066 1.294 16.008 1.00 0.00 H new ATOM 964 N PRO A 64 7.131 3.681 17.092 1.00 0.00 N ATOM 965 CA PRO A 64 8.216 4.427 17.710 1.00 0.00 C ATOM 966 C PRO A 64 7.872 5.899 17.961 1.00 0.00 C ATOM 967 O PRO A 64 6.753 6.232 18.355 1.00 0.00 O ATOM 968 CB PRO A 64 9.326 4.307 16.650 1.00 0.00 C ATOM 969 CG PRO A 64 8.646 3.857 15.386 1.00 0.00 C ATOM 970 CD PRO A 64 7.166 3.914 15.650 1.00 0.00 C ATOM 0 HA PRO A 64 8.475 4.043 18.697 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.830 5.262 16.503 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.086 3.590 16.961 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.916 4.503 14.550 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.953 2.846 15.120 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.735 4.877 15.377 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.619 3.152 15.096 1.00 0.00 H new ATOM 978 N ASP A 65 8.847 6.771 17.696 1.00 0.00 N ATOM 979 CA ASP A 65 8.756 8.203 18.012 1.00 0.00 C ATOM 980 C ASP A 65 7.790 8.947 17.093 1.00 0.00 C ATOM 981 O ASP A 65 7.634 10.163 17.196 1.00 0.00 O ATOM 982 CB ASP A 65 10.146 8.842 17.895 1.00 0.00 C ATOM 983 CG ASP A 65 11.111 8.350 18.954 1.00 0.00 C ATOM 984 OD1 ASP A 65 11.701 7.262 18.769 1.00 0.00 O ATOM 985 OD2 ASP A 65 11.292 9.048 19.974 1.00 0.00 O ATOM 0 H ASP A 65 9.727 6.505 17.254 1.00 0.00 H new ATOM 0 HA ASP A 65 8.374 8.284 19.030 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.557 8.628 16.908 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.050 9.925 17.973 1.00 0.00 H new ATOM 990 N GLY A 66 7.148 8.222 16.199 1.00 0.00 N ATOM 991 CA GLY A 66 6.236 8.834 15.254 1.00 0.00 C ATOM 992 C GLY A 66 6.325 8.152 13.910 1.00 0.00 C ATOM 993 O GLY A 66 5.476 7.341 13.542 1.00 0.00 O ATOM 0 H GLY A 66 7.241 7.210 16.107 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.216 8.771 15.633 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.472 9.893 15.147 1.00 0.00 H new ATOM 997 N ASN A 67 7.392 8.464 13.201 1.00 0.00 N ATOM 998 CA ASN A 67 7.725 7.809 11.948 1.00 0.00 C ATOM 999 C ASN A 67 8.282 6.417 12.211 1.00 0.00 C ATOM 1000 O ASN A 67 8.528 6.057 13.359 1.00 0.00 O ATOM 1001 CB ASN A 67 8.765 8.638 11.196 1.00 0.00 C ATOM 1002 CG ASN A 67 9.895 9.088 12.103 1.00 0.00 C ATOM 1003 OD1 ASN A 67 9.833 10.170 12.686 1.00 0.00 O ATOM 1004 ND2 ASN A 67 10.926 8.267 12.244 1.00 0.00 N ATOM 0 H ASN A 67 8.058 9.184 13.479 1.00 0.00 H new ATOM 0 HA ASN A 67 6.820 7.721 11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.172 8.050 10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.284 9.511 10.756 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.703 8.524 12.852 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.942 7.378 11.744 1.00 0.00 H new ATOM 1011 N LEU A 68 8.452 5.638 11.143 1.00 0.00 N ATOM 1012 CA LEU A 68 9.100 4.327 11.220 1.00 0.00 C ATOM 1013 C LEU A 68 8.234 3.315 11.962 1.00 0.00 C ATOM 1014 O LEU A 68 8.742 2.370 12.568 1.00 0.00 O ATOM 1015 CB LEU A 68 10.479 4.445 11.887 1.00 0.00 C ATOM 1016 CG LEU A 68 11.676 4.215 10.961 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.675 2.788 10.440 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.655 5.204 9.806 1.00 0.00 C ATOM 0 H LEU A 68 8.147 5.895 10.204 1.00 0.00 H new ATOM 0 HA LEU A 68 9.233 3.965 10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.567 5.438 12.328 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.531 3.727 12.706 1.00 0.00 H new ATOM 0 HG LEU A 68 12.591 4.374 11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.532 2.640 9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.737 2.094 11.279 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.756 2.604 9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.513 5.025 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.736 5.076 9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.701 6.221 10.197 1.00 0.00 H new ATOM 1030 N HIS A 69 6.925 3.491 11.879 1.00 0.00 N ATOM 1031 CA HIS A 69 5.986 2.564 12.504 1.00 0.00 C ATOM 1032 C HIS A 69 5.924 1.246 11.734 1.00 0.00 C ATOM 1033 O HIS A 69 5.026 1.017 10.931 1.00 0.00 O ATOM 1034 CB HIS A 69 4.586 3.190 12.610 1.00 0.00 C ATOM 1035 CG HIS A 69 4.191 4.021 11.418 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.969 3.499 10.162 1.00 0.00 N ATOM 1037 CD2 HIS A 69 4.017 5.358 11.300 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.678 4.478 9.326 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.702 5.618 9.990 1.00 0.00 N ATOM 0 H HIS A 69 6.485 4.267 11.385 1.00 0.00 H new ATOM 0 HA HIS A 69 6.346 2.355 13.511 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.853 2.394 12.743 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.545 3.813 13.503 1.00 0.00 H new ATOM 0 HD1 HIS A 69 4.021 2.510 9.917 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.109 6.087 12.092 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.457 4.365 8.275 1.00 0.00 H new ATOM 1048 N HIS A 70 6.912 0.398 11.978 1.00 0.00 N ATOM 1049 CA HIS A 70 7.021 -0.884 11.290 1.00 0.00 C ATOM 1050 C HIS A 70 6.186 -1.967 11.978 1.00 0.00 C ATOM 1051 O HIS A 70 5.274 -2.544 11.373 1.00 0.00 O ATOM 1052 CB HIS A 70 8.502 -1.319 11.185 1.00 0.00 C ATOM 1053 CG HIS A 70 9.226 -1.455 12.504 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.501 -0.541 13.466 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 9.759 -2.643 12.957 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 10.185 -1.185 14.461 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 10.328 -2.450 14.134 1.00 0.00 N flip ATOM 0 H HIS A 70 7.656 0.575 12.653 1.00 0.00 H new ATOM 0 HA HIS A 70 6.623 -0.754 10.283 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.547 -2.275 10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.034 -0.594 10.569 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.718 -3.586 12.431 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.549 -0.727 15.369 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.798 -3.162 14.693 1.00 0.00 H new ATOM 1066 N GLY A 71 6.484 -2.216 13.248 1.00 0.00 N ATOM 1067 CA GLY A 71 5.903 -3.338 13.945 1.00 0.00 C ATOM 1068 C GLY A 71 4.401 -3.245 14.073 1.00 0.00 C ATOM 1069 O GLY A 71 3.681 -4.097 13.558 1.00 0.00 O ATOM 0 H GLY A 71 7.124 -1.653 13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.160 -4.257 13.419 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.343 -3.407 14.940 1.00 0.00 H new ATOM 1073 N ASN A 72 3.940 -2.205 14.753 1.00 0.00 N ATOM 1074 CA ASN A 72 2.519 -2.019 15.025 1.00 0.00 C ATOM 1075 C ASN A 72 1.678 -2.059 13.750 1.00 0.00 C ATOM 1076 O ASN A 72 0.579 -2.598 13.751 1.00 0.00 O ATOM 1077 CB ASN A 72 2.292 -0.682 15.732 1.00 0.00 C ATOM 1078 CG ASN A 72 1.293 -0.791 16.867 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.453 -1.687 16.888 1.00 0.00 O ATOM 1080 ND2 ASN A 72 1.372 0.126 17.815 1.00 0.00 N ATOM 0 H ASN A 72 4.536 -1.469 15.131 1.00 0.00 H new ATOM 0 HA ASN A 72 2.204 -2.844 15.664 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.241 -0.314 16.121 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.938 0.053 15.009 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.721 0.105 18.600 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.084 0.854 17.762 1.00 0.00 H new ATOM 1087 N ALA A 73 2.208 -1.530 12.650 1.00 0.00 N ATOM 1088 CA ALA A 73 1.434 -1.447 11.414 1.00 0.00 C ATOM 1089 C ALA A 73 1.244 -2.821 10.786 1.00 0.00 C ATOM 1090 O ALA A 73 0.167 -3.149 10.278 1.00 0.00 O ATOM 1091 CB ALA A 73 2.108 -0.502 10.431 1.00 0.00 C ATOM 0 H ALA A 73 3.156 -1.158 12.588 1.00 0.00 H new ATOM 0 HA ALA A 73 0.448 -1.054 11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.520 -0.450 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.180 0.492 10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.108 -0.870 10.200 1.00 0.00 H new ATOM 1097 N LYS A 74 2.274 -3.645 10.866 1.00 0.00 N ATOM 1098 CA LYS A 74 2.205 -4.983 10.305 1.00 0.00 C ATOM 1099 C LYS A 74 1.489 -5.918 11.273 1.00 0.00 C ATOM 1100 O LYS A 74 0.809 -6.861 10.862 1.00 0.00 O ATOM 1101 CB LYS A 74 3.615 -5.468 9.969 1.00 0.00 C ATOM 1102 CG LYS A 74 4.302 -4.560 8.960 1.00 0.00 C ATOM 1103 CD LYS A 74 5.774 -4.878 8.789 1.00 0.00 C ATOM 1104 CE LYS A 74 6.425 -3.876 7.850 1.00 0.00 C ATOM 1105 NZ LYS A 74 7.878 -4.127 7.664 1.00 0.00 N ATOM 0 H LYS A 74 3.162 -3.414 11.311 1.00 0.00 H new ATOM 0 HA LYS A 74 1.628 -4.972 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.210 -5.513 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.565 -6.481 9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.801 -4.651 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.194 -3.523 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.273 -4.856 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.891 -5.887 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.927 -3.915 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.281 -2.869 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.116 -4.055 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.423 -3.422 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.112 -5.080 8.008 1.00 0.00 H new ATOM 1119 N ASP A 75 1.626 -5.625 12.560 1.00 0.00 N ATOM 1120 CA ASP A 75 0.888 -6.327 13.604 1.00 0.00 C ATOM 1121 C ASP A 75 -0.609 -6.052 13.466 1.00 0.00 C ATOM 1122 O ASP A 75 -1.442 -6.959 13.574 1.00 0.00 O ATOM 1123 CB ASP A 75 1.400 -5.879 14.976 1.00 0.00 C ATOM 1124 CG ASP A 75 0.608 -6.451 16.133 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.849 -7.615 16.502 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -0.225 -5.719 16.703 1.00 0.00 O ATOM 0 H ASP A 75 2.249 -4.897 12.909 1.00 0.00 H new ATOM 0 HA ASP A 75 1.045 -7.401 13.503 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.444 -6.175 15.080 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.370 -4.791 15.028 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.941 -4.794 13.178 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.318 -4.395 12.945 1.00 0.00 C ATOM 1133 C PHE A 76 -2.890 -5.108 11.730 1.00 0.00 C ATOM 1134 O PHE A 76 -4.056 -5.495 11.727 1.00 0.00 O ATOM 1135 CB PHE A 76 -2.420 -2.877 12.754 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.844 -2.132 13.991 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.162 -2.159 14.403 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -1.935 -1.397 14.729 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -4.569 -1.467 15.527 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -2.333 -0.705 15.856 1.00 0.00 C ATOM 1141 CZ PHE A 76 -3.652 -0.740 16.256 1.00 0.00 C ATOM 0 H PHE A 76 -0.266 -4.033 13.101 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.899 -4.678 13.823 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.452 -2.496 12.427 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.131 -2.669 11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.885 -2.729 13.838 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.901 -1.364 14.420 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.604 -1.495 15.834 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.611 -0.137 16.424 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.966 -0.200 17.137 1.00 0.00 H new ATOM 1151 N ALA A 77 -2.073 -5.313 10.711 1.00 0.00 N ATOM 1152 CA ALA A 77 -2.559 -5.952 9.498 1.00 0.00 C ATOM 1153 C ALA A 77 -2.868 -7.428 9.725 1.00 0.00 C ATOM 1154 O ALA A 77 -3.862 -7.935 9.216 1.00 0.00 O ATOM 1155 CB ALA A 77 -1.558 -5.799 8.365 1.00 0.00 C ATOM 0 H ALA A 77 -1.087 -5.052 10.697 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.486 -5.450 9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.945 -6.285 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.397 -4.740 8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.613 -6.262 8.649 1.00 0.00 H new ATOM 1161 N MET A 78 -2.024 -8.119 10.485 1.00 0.00 N ATOM 1162 CA MET A 78 -2.252 -9.545 10.744 1.00 0.00 C ATOM 1163 C MET A 78 -3.341 -9.794 11.776 1.00 0.00 C ATOM 1164 O MET A 78 -3.814 -10.923 11.905 1.00 0.00 O ATOM 1165 CB MET A 78 -0.978 -10.335 11.091 1.00 0.00 C ATOM 1166 CG MET A 78 -0.032 -9.679 12.073 1.00 0.00 C ATOM 1167 SD MET A 78 0.918 -10.880 13.021 1.00 0.00 S ATOM 1168 CE MET A 78 1.929 -9.795 14.026 1.00 0.00 C ATOM 0 H MET A 78 -1.191 -7.729 10.926 1.00 0.00 H new ATOM 0 HA MET A 78 -2.603 -9.932 9.788 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.274 -11.303 11.495 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.433 -10.529 10.167 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.652 -9.025 11.532 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.602 -9.050 12.757 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.648 -10.388 14.591 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.462 -9.095 13.383 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.293 -9.241 14.716 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.743 -8.781 12.533 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.886 -8.973 13.415 1.00 0.00 C ATOM 1180 C LYS A 79 -6.194 -8.594 12.714 1.00 0.00 C ATOM 1181 O LYS A 79 -7.275 -8.992 13.149 1.00 0.00 O ATOM 1182 CB LYS A 79 -4.721 -8.201 14.729 1.00 0.00 C ATOM 1183 CG LYS A 79 -4.621 -6.695 14.569 1.00 0.00 C ATOM 1184 CD LYS A 79 -4.440 -6.006 15.911 1.00 0.00 C ATOM 1185 CE LYS A 79 -3.144 -6.421 16.583 1.00 0.00 C ATOM 1186 NZ LYS A 79 -2.968 -5.771 17.906 1.00 0.00 N ATOM 0 H LYS A 79 -3.316 -7.855 12.557 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.932 -10.034 13.663 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.567 -8.429 15.378 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.825 -8.560 15.236 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.782 -6.452 13.917 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.521 -6.319 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.447 -4.925 15.769 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.281 -6.248 16.561 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.131 -7.504 16.707 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.303 -6.164 15.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.970 -5.507 18.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.560 -4.918 17.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.250 -6.432 18.658 1.00 0.00 H new ATOM 1200 N HIS A 80 -6.100 -7.821 11.631 1.00 0.00 N ATOM 1201 CA HIS A 80 -7.260 -7.526 10.790 1.00 0.00 C ATOM 1202 C HIS A 80 -6.855 -7.305 9.330 1.00 0.00 C ATOM 1203 O HIS A 80 -6.370 -6.233 8.968 1.00 0.00 O ATOM 1204 CB HIS A 80 -8.094 -6.344 11.317 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.326 -5.099 11.618 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -7.203 -4.055 10.729 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.661 -4.723 12.729 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -6.494 -3.091 11.278 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -6.151 -3.474 12.491 1.00 0.00 N ATOM 0 H HIS A 80 -5.232 -7.388 11.316 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.900 -8.407 10.835 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.862 -6.107 10.581 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.609 -6.661 12.224 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.600 -4.032 9.790 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.551 -5.298 13.636 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.238 -2.150 10.814 1.00 0.00 H new ATOM 1218 N GLY A 81 -7.024 -8.333 8.508 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.710 -8.224 7.090 1.00 0.00 C ATOM 1220 C GLY A 81 -5.878 -9.389 6.600 1.00 0.00 C ATOM 1221 O GLY A 81 -6.394 -10.295 5.940 1.00 0.00 O ATOM 0 H GLY A 81 -7.375 -9.246 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.636 -8.174 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.172 -7.293 6.909 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.598 -9.383 6.927 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.750 -10.528 6.652 1.00 0.00 C ATOM 1227 C ALA A 82 -3.817 -11.463 7.847 1.00 0.00 C ATOM 1228 O ALA A 82 -4.046 -11.012 8.965 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.309 -10.106 6.366 1.00 0.00 C ATOM 0 H ALA A 82 -4.125 -8.602 7.381 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.106 -11.038 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.704 -10.990 6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.288 -9.447 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.906 -9.580 7.231 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.663 -12.756 7.634 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.654 -13.676 8.759 1.00 0.00 C ATOM 1237 C ASP A 83 -2.242 -13.808 9.266 1.00 0.00 C ATOM 1238 O ASP A 83 -1.302 -13.373 8.593 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.240 -15.030 8.391 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.254 -15.962 7.727 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.065 -15.865 6.499 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.683 -16.812 8.433 1.00 0.00 O ATOM 0 H ASP A 83 -3.545 -13.187 6.717 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.289 -13.275 9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.625 -15.506 9.293 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.089 -14.879 7.724 1.00 0.00 H new ATOM 1247 N GLU A 84 -2.067 -14.397 10.436 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.810 -14.305 11.092 1.00 0.00 C ATOM 1249 C GLU A 84 0.224 -15.161 10.391 1.00 0.00 C ATOM 1250 O GLU A 84 1.408 -14.883 10.436 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.980 -14.581 12.598 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.734 -15.991 13.149 1.00 0.00 C ATOM 1253 CD GLU A 84 0.681 -16.509 12.990 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.614 -15.875 13.521 1.00 0.00 O ATOM 1255 OE2 GLU A 84 0.855 -17.569 12.362 1.00 0.00 O ATOM 0 H GLU A 84 -2.779 -14.933 10.932 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.418 -13.290 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.312 -13.903 13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.998 -14.300 12.867 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.990 -15.999 14.209 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.415 -16.682 12.651 1.00 0.00 H new ATOM 1262 N THR A 85 -0.250 -16.151 9.675 1.00 0.00 N ATOM 1263 CA THR A 85 0.609 -17.007 8.895 1.00 0.00 C ATOM 1264 C THR A 85 1.105 -16.242 7.664 1.00 0.00 C ATOM 1265 O THR A 85 2.257 -16.383 7.241 1.00 0.00 O ATOM 1266 CB THR A 85 -0.160 -18.285 8.498 1.00 0.00 C ATOM 1267 OG1 THR A 85 0.128 -19.344 9.424 1.00 0.00 O ATOM 1268 CG2 THR A 85 0.154 -18.726 7.078 1.00 0.00 C ATOM 0 H THR A 85 -1.241 -16.386 9.617 1.00 0.00 H new ATOM 0 HA THR A 85 1.478 -17.306 9.481 1.00 0.00 H new ATOM 0 HB THR A 85 -1.224 -18.050 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.366 -20.149 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.410 -19.629 6.844 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.123 -17.935 6.382 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.221 -18.931 6.988 1.00 0.00 H new ATOM 1276 N MET A 86 0.243 -15.376 7.139 1.00 0.00 N ATOM 1277 CA MET A 86 0.538 -14.617 5.954 1.00 0.00 C ATOM 1278 C MET A 86 1.468 -13.465 6.290 1.00 0.00 C ATOM 1279 O MET A 86 2.441 -13.205 5.581 1.00 0.00 O ATOM 1280 CB MET A 86 -0.777 -14.132 5.348 1.00 0.00 C ATOM 1281 CG MET A 86 -0.633 -13.009 4.356 1.00 0.00 C ATOM 1282 SD MET A 86 0.384 -13.443 2.934 1.00 0.00 S ATOM 1283 CE MET A 86 -0.236 -12.289 1.715 1.00 0.00 C ATOM 0 H MET A 86 -0.679 -15.189 7.533 1.00 0.00 H new ATOM 0 HA MET A 86 1.052 -15.238 5.220 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.267 -14.972 4.857 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.435 -13.806 6.154 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.622 -12.710 4.009 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.196 -12.145 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.296 -12.432 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.301 -12.461 1.559 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.081 -11.269 2.068 1.00 0.00 H new ATOM 1293 N ALA A 87 1.185 -12.791 7.386 1.00 0.00 N ATOM 1294 CA ALA A 87 2.058 -11.739 7.855 1.00 0.00 C ATOM 1295 C ALA A 87 3.407 -12.314 8.266 1.00 0.00 C ATOM 1296 O ALA A 87 4.444 -11.760 7.932 1.00 0.00 O ATOM 1297 CB ALA A 87 1.416 -10.989 9.006 1.00 0.00 C ATOM 0 H ALA A 87 0.361 -12.953 7.965 1.00 0.00 H new ATOM 0 HA ALA A 87 2.222 -11.033 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.088 -10.201 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.477 -10.547 8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.222 -11.679 9.827 1.00 0.00 H new ATOM 1303 N GLN A 88 3.388 -13.457 8.942 1.00 0.00 N ATOM 1304 CA GLN A 88 4.611 -14.065 9.476 1.00 0.00 C ATOM 1305 C GLN A 88 5.519 -14.594 8.368 1.00 0.00 C ATOM 1306 O GLN A 88 6.733 -14.683 8.549 1.00 0.00 O ATOM 1307 CB GLN A 88 4.273 -15.187 10.459 1.00 0.00 C ATOM 1308 CG GLN A 88 4.340 -14.768 11.924 1.00 0.00 C ATOM 1309 CD GLN A 88 3.682 -13.428 12.197 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.332 -12.385 12.121 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.401 -13.432 12.535 1.00 0.00 N ATOM 0 H GLN A 88 2.538 -13.986 9.136 1.00 0.00 H new ATOM 0 HA GLN A 88 5.154 -13.280 10.003 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.271 -15.556 10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.960 -16.017 10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.859 -15.532 12.535 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.384 -14.722 12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.891 -14.313 12.589 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.925 -12.554 12.741 1.00 0.00 H new ATOM 1320 N GLN A 89 4.950 -14.944 7.222 1.00 0.00 N ATOM 1321 CA GLN A 89 5.772 -15.358 6.090 1.00 0.00 C ATOM 1322 C GLN A 89 6.280 -14.127 5.340 1.00 0.00 C ATOM 1323 O GLN A 89 7.360 -14.145 4.750 1.00 0.00 O ATOM 1324 CB GLN A 89 4.999 -16.294 5.151 1.00 0.00 C ATOM 1325 CG GLN A 89 3.896 -15.614 4.358 1.00 0.00 C ATOM 1326 CD GLN A 89 3.111 -16.584 3.496 1.00 0.00 C ATOM 1327 OE1 GLN A 89 3.631 -17.608 3.056 1.00 0.00 O ATOM 1328 NE2 GLN A 89 1.860 -16.253 3.222 1.00 0.00 N ATOM 0 H GLN A 89 3.944 -14.951 7.052 1.00 0.00 H new ATOM 0 HA GLN A 89 6.628 -15.916 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.701 -16.752 4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.562 -17.101 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.215 -15.113 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.333 -14.842 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.464 -15.395 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.292 -16.856 2.627 1.00 0.00 H new ATOM 1337 N LEU A 90 5.504 -13.050 5.395 1.00 0.00 N ATOM 1338 CA LEU A 90 5.864 -11.808 4.724 1.00 0.00 C ATOM 1339 C LEU A 90 6.943 -11.062 5.518 1.00 0.00 C ATOM 1340 O LEU A 90 7.947 -10.618 4.958 1.00 0.00 O ATOM 1341 CB LEU A 90 4.617 -10.930 4.562 1.00 0.00 C ATOM 1342 CG LEU A 90 4.521 -10.134 3.254 1.00 0.00 C ATOM 1343 CD1 LEU A 90 3.181 -9.425 3.167 1.00 0.00 C ATOM 1344 CD2 LEU A 90 5.655 -9.126 3.134 1.00 0.00 C ATOM 0 H LEU A 90 4.618 -13.013 5.900 1.00 0.00 H new ATOM 0 HA LEU A 90 6.267 -12.041 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.736 -11.566 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.580 -10.228 5.395 1.00 0.00 H new ATOM 0 HG LEU A 90 4.607 -10.839 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.126 -8.864 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.377 -10.161 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.076 -8.740 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.558 -8.579 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.610 -8.427 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.611 -9.650 3.151 1.00 0.00 H new ATOM 1356 N VAL A 91 6.733 -10.955 6.831 1.00 0.00 N ATOM 1357 CA VAL A 91 7.629 -10.207 7.716 1.00 0.00 C ATOM 1358 C VAL A 91 9.061 -10.732 7.652 1.00 0.00 C ATOM 1359 O VAL A 91 10.016 -9.956 7.725 1.00 0.00 O ATOM 1360 CB VAL A 91 7.150 -10.257 9.186 1.00 0.00 C ATOM 1361 CG1 VAL A 91 5.831 -9.522 9.367 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.029 -11.690 9.655 1.00 0.00 C ATOM 0 H VAL A 91 5.940 -11.382 7.310 1.00 0.00 H new ATOM 0 HA VAL A 91 7.610 -9.176 7.362 1.00 0.00 H new ATOM 0 HB VAL A 91 7.897 -9.751 9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.524 -9.577 10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.954 -8.478 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.068 -9.984 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.691 -11.706 10.691 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.309 -12.218 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.000 -12.180 9.582 1.00 0.00 H new ATOM 1372 N ASP A 92 9.203 -12.042 7.502 1.00 0.00 N ATOM 1373 CA ASP A 92 10.511 -12.672 7.494 1.00 0.00 C ATOM 1374 C ASP A 92 11.319 -12.215 6.282 1.00 0.00 C ATOM 1375 O ASP A 92 12.498 -11.855 6.402 1.00 0.00 O ATOM 1376 CB ASP A 92 10.369 -14.198 7.524 1.00 0.00 C ATOM 1377 CG ASP A 92 11.675 -14.910 7.224 1.00 0.00 C ATOM 1378 OD1 ASP A 92 12.574 -14.903 8.090 1.00 0.00 O ATOM 1379 OD2 ASP A 92 11.806 -15.500 6.131 1.00 0.00 O ATOM 0 H ASP A 92 8.423 -12.689 7.384 1.00 0.00 H new ATOM 0 HA ASP A 92 11.052 -12.367 8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.008 -14.507 8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.617 -14.504 6.797 1.00 0.00 H new ATOM 1384 N ILE A 93 10.667 -12.187 5.122 1.00 0.00 N ATOM 1385 CA ILE A 93 11.280 -11.665 3.914 1.00 0.00 C ATOM 1386 C ILE A 93 11.667 -10.206 4.102 1.00 0.00 C ATOM 1387 O ILE A 93 12.757 -9.783 3.700 1.00 0.00 O ATOM 1388 CB ILE A 93 10.337 -11.810 2.694 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.758 -12.996 1.838 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.304 -10.536 1.861 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.639 -14.332 2.538 1.00 0.00 C ATOM 0 H ILE A 93 9.712 -12.522 4.998 1.00 0.00 H new ATOM 0 HA ILE A 93 12.179 -12.250 3.720 1.00 0.00 H new ATOM 0 HB ILE A 93 9.329 -11.986 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.147 -13.015 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.791 -12.854 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.633 -10.673 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.949 -9.709 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.307 -10.313 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.957 -15.126 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.272 -14.335 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.602 -14.498 2.831 1.00 0.00 H new ATOM 1403 N ILE A 94 10.771 -9.444 4.725 1.00 0.00 N ATOM 1404 CA ILE A 94 11.016 -8.036 4.981 1.00 0.00 C ATOM 1405 C ILE A 94 12.313 -7.858 5.744 1.00 0.00 C ATOM 1406 O ILE A 94 13.151 -7.060 5.363 1.00 0.00 O ATOM 1407 CB ILE A 94 9.871 -7.387 5.783 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.549 -7.547 5.036 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.170 -5.914 6.037 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.372 -6.939 5.756 1.00 0.00 C ATOM 0 H ILE A 94 9.869 -9.783 5.060 1.00 0.00 H new ATOM 0 HA ILE A 94 11.080 -7.543 4.011 1.00 0.00 H new ATOM 0 HB ILE A 94 9.787 -7.890 6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.639 -7.087 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.358 -8.608 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.352 -5.469 6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.097 -5.823 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.275 -5.395 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.467 -7.091 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.255 -7.415 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.541 -5.871 5.893 1.00 0.00 H new ATOM 1422 N HIS A 95 12.492 -8.650 6.791 1.00 0.00 N ATOM 1423 CA HIS A 95 13.665 -8.506 7.655 1.00 0.00 C ATOM 1424 C HIS A 95 14.929 -8.881 6.900 1.00 0.00 C ATOM 1425 O HIS A 95 15.995 -8.307 7.126 1.00 0.00 O ATOM 1426 CB HIS A 95 13.569 -9.382 8.910 1.00 0.00 C ATOM 1427 CG HIS A 95 12.315 -9.211 9.710 1.00 0.00 C ATOM 1428 ND1 HIS A 95 11.833 -10.184 10.557 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.446 -8.176 9.799 1.00 0.00 C ATOM 1430 CE1 HIS A 95 10.725 -9.758 11.131 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.467 -8.542 10.689 1.00 0.00 N ATOM 0 H HIS A 95 11.850 -9.393 7.065 1.00 0.00 H new ATOM 0 HA HIS A 95 13.701 -7.461 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.651 -10.427 8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.423 -9.165 9.552 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.511 -7.237 9.269 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.130 -10.311 11.842 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.670 -7.968 10.964 1.00 0.00 H new ATOM 1440 N GLY A 96 14.797 -9.813 5.969 1.00 0.00 N ATOM 1441 CA GLY A 96 15.958 -10.332 5.286 1.00 0.00 C ATOM 1442 C GLY A 96 16.421 -9.426 4.169 1.00 0.00 C ATOM 1443 O GLY A 96 17.597 -9.071 4.104 1.00 0.00 O ATOM 0 H GLY A 96 13.908 -10.217 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.769 -10.465 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.727 -11.317 4.880 1.00 0.00 H new ATOM 1447 N CYS A 97 15.512 -9.032 3.294 1.00 0.00 N ATOM 1448 CA CYS A 97 15.881 -8.147 2.211 1.00 0.00 C ATOM 1449 C CYS A 97 16.121 -6.708 2.693 1.00 0.00 C ATOM 1450 O CYS A 97 16.969 -6.026 2.135 1.00 0.00 O ATOM 1451 CB CYS A 97 14.888 -8.238 1.044 1.00 0.00 C ATOM 1452 SG CYS A 97 15.237 -9.656 -0.060 1.00 0.00 S ATOM 0 H CYS A 97 14.530 -9.307 3.313 1.00 0.00 H new ATOM 0 HA CYS A 97 16.840 -8.488 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.876 -8.328 1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.924 -7.314 0.467 1.00 0.00 H new ATOM 1457 N GLU A 98 15.393 -6.249 3.727 1.00 0.00 N ATOM 1458 CA GLU A 98 15.728 -4.984 4.407 1.00 0.00 C ATOM 1459 C GLU A 98 17.156 -5.034 4.954 1.00 0.00 C ATOM 1460 O GLU A 98 17.898 -4.054 4.881 1.00 0.00 O ATOM 1461 CB GLU A 98 14.732 -4.727 5.551 1.00 0.00 C ATOM 1462 CG GLU A 98 15.146 -3.656 6.552 1.00 0.00 C ATOM 1463 CD GLU A 98 15.105 -2.250 5.990 1.00 0.00 C ATOM 1464 OE1 GLU A 98 14.014 -1.783 5.615 1.00 0.00 O ATOM 1465 OE2 GLU A 98 16.160 -1.581 5.966 1.00 0.00 O ATOM 0 H GLU A 98 14.577 -6.729 4.107 1.00 0.00 H new ATOM 0 HA GLU A 98 15.662 -4.169 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.773 -4.443 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.575 -5.662 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.490 -3.710 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.156 -3.869 6.902 1.00 0.00 H new ATOM 1472 N LYS A 99 17.545 -6.193 5.467 1.00 0.00 N ATOM 1473 CA LYS A 99 18.893 -6.391 5.977 1.00 0.00 C ATOM 1474 C LYS A 99 19.921 -6.246 4.852 1.00 0.00 C ATOM 1475 O LYS A 99 20.974 -5.633 5.032 1.00 0.00 O ATOM 1476 CB LYS A 99 18.994 -7.778 6.615 1.00 0.00 C ATOM 1477 CG LYS A 99 20.399 -8.192 7.015 1.00 0.00 C ATOM 1478 CD LYS A 99 20.448 -9.667 7.381 1.00 0.00 C ATOM 1479 CE LYS A 99 19.950 -10.533 6.234 1.00 0.00 C ATOM 1480 NZ LYS A 99 20.065 -11.982 6.533 1.00 0.00 N ATOM 0 H LYS A 99 16.943 -7.013 5.541 1.00 0.00 H new ATOM 0 HA LYS A 99 19.106 -5.631 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.357 -7.803 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.598 -8.514 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 99 21.088 -7.994 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.732 -7.592 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.470 -9.948 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.838 -9.845 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.909 -10.289 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.520 -10.303 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.714 -12.532 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.061 -12.222 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.500 -12.208 7.376 1.00 0.00 H new ATOM 1494 N SER A 100 19.596 -6.789 3.687 1.00 0.00 N ATOM 1495 CA SER A 100 20.503 -6.753 2.546 1.00 0.00 C ATOM 1496 C SER A 100 20.087 -5.677 1.538 1.00 0.00 C ATOM 1497 O SER A 100 20.415 -5.766 0.351 1.00 0.00 O ATOM 1498 CB SER A 100 20.526 -8.124 1.868 1.00 0.00 C ATOM 1499 OG SER A 100 20.746 -9.160 2.813 1.00 0.00 O ATOM 0 H SER A 100 18.710 -7.261 3.506 1.00 0.00 H new ATOM 0 HA SER A 100 21.501 -6.505 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.581 -8.293 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.310 -8.145 1.112 1.00 0.00 H new ATOM 0 HG SER A 100 20.754 -10.026 2.353 1.00 0.00 H new ATOM 1505 N ALA A 101 19.371 -4.664 2.006 1.00 0.00 N ATOM 1506 CA ALA A 101 18.927 -3.581 1.137 1.00 0.00 C ATOM 1507 C ALA A 101 19.987 -2.485 1.082 1.00 0.00 C ATOM 1508 O ALA A 101 20.784 -2.335 2.011 1.00 0.00 O ATOM 1509 CB ALA A 101 17.586 -3.024 1.611 1.00 0.00 C ATOM 0 H ALA A 101 19.085 -4.569 2.980 1.00 0.00 H new ATOM 0 HA ALA A 101 18.787 -3.974 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.273 -2.217 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.837 -3.816 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.690 -2.641 2.626 1.00 0.00 H new ATOM 1515 N PRO A 102 20.033 -1.727 -0.025 1.00 0.00 N ATOM 1516 CA PRO A 102 21.011 -0.650 -0.204 1.00 0.00 C ATOM 1517 C PRO A 102 20.739 0.539 0.718 1.00 0.00 C ATOM 1518 O PRO A 102 19.639 0.672 1.258 1.00 0.00 O ATOM 1519 CB PRO A 102 20.832 -0.247 -1.671 1.00 0.00 C ATOM 1520 CG PRO A 102 19.432 -0.626 -2.000 1.00 0.00 C ATOM 1521 CD PRO A 102 19.137 -1.859 -1.191 1.00 0.00 C ATOM 0 HA PRO A 102 22.023 -0.972 0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.996 0.822 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.544 -0.765 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.741 0.179 -1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.321 -0.823 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.090 -1.901 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 102 19.343 -2.768 -1.755 1.00 0.00 H new ATOM 1529 N PRO A 103 21.744 1.411 0.917 1.00 0.00 N ATOM 1530 CA PRO A 103 21.618 2.615 1.753 1.00 0.00 C ATOM 1531 C PRO A 103 20.699 3.669 1.131 1.00 0.00 C ATOM 1532 O PRO A 103 21.113 4.805 0.875 1.00 0.00 O ATOM 1533 CB PRO A 103 23.057 3.149 1.846 1.00 0.00 C ATOM 1534 CG PRO A 103 23.925 2.037 1.361 1.00 0.00 C ATOM 1535 CD PRO A 103 23.099 1.285 0.364 1.00 0.00 C ATOM 0 HA PRO A 103 21.172 2.385 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.185 4.042 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.308 3.425 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.836 2.422 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.230 1.391 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.172 1.718 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.409 0.243 0.283 1.00 0.00 H new ATOM 1543 N ASN A 104 19.456 3.285 0.893 1.00 0.00 N ATOM 1544 CA ASN A 104 18.460 4.187 0.338 1.00 0.00 C ATOM 1545 C ASN A 104 17.512 4.636 1.439 1.00 0.00 C ATOM 1546 O ASN A 104 16.751 3.835 1.984 1.00 0.00 O ATOM 1547 CB ASN A 104 17.675 3.508 -0.792 1.00 0.00 C ATOM 1548 CG ASN A 104 18.515 3.241 -2.029 1.00 0.00 C ATOM 1549 OD1 ASN A 104 19.732 3.063 -1.953 1.00 0.00 O ATOM 1550 ND2 ASN A 104 17.868 3.202 -3.181 1.00 0.00 N ATOM 0 H ASN A 104 19.110 2.344 1.078 1.00 0.00 H new ATOM 0 HA ASN A 104 18.969 5.056 -0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.268 2.565 -0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.827 4.137 -1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.377 3.020 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.860 3.354 -3.205 1.00 0.00 H new ATOM 1557 N ASP A 105 17.562 5.919 1.764 1.00 0.00 N ATOM 1558 CA ASP A 105 16.781 6.476 2.867 1.00 0.00 C ATOM 1559 C ASP A 105 15.318 6.719 2.492 1.00 0.00 C ATOM 1560 O ASP A 105 14.603 7.417 3.212 1.00 0.00 O ATOM 1561 CB ASP A 105 17.398 7.795 3.337 1.00 0.00 C ATOM 1562 CG ASP A 105 18.689 7.608 4.104 1.00 0.00 C ATOM 1563 OD1 ASP A 105 19.717 7.266 3.484 1.00 0.00 O ATOM 1564 OD2 ASP A 105 18.688 7.826 5.334 1.00 0.00 O ATOM 0 H ASP A 105 18.140 6.603 1.276 1.00 0.00 H new ATOM 0 HA ASP A 105 16.803 5.736 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 105 17.586 8.430 2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 105 16.681 8.320 3.968 1.00 0.00 H new ATOM 1569 N ASP A 106 14.855 6.121 1.403 1.00 0.00 N ATOM 1570 CA ASP A 106 13.496 6.362 0.942 1.00 0.00 C ATOM 1571 C ASP A 106 12.538 5.350 1.550 1.00 0.00 C ATOM 1572 O ASP A 106 12.617 4.149 1.271 1.00 0.00 O ATOM 1573 CB ASP A 106 13.414 6.316 -0.583 1.00 0.00 C ATOM 1574 CG ASP A 106 12.031 6.675 -1.093 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.141 5.803 -1.077 1.00 0.00 O ATOM 1576 OD2 ASP A 106 11.831 7.834 -1.516 1.00 0.00 O ATOM 0 H ASP A 106 15.394 5.473 0.828 1.00 0.00 H new ATOM 0 HA ASP A 106 13.206 7.361 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.145 7.005 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.679 5.317 -0.930 1.00 0.00 H new ATOM 1581 N LYS A 107 11.670 5.859 2.415 1.00 0.00 N ATOM 1582 CA LYS A 107 10.657 5.056 3.110 1.00 0.00 C ATOM 1583 C LYS A 107 9.959 4.000 2.236 1.00 0.00 C ATOM 1584 O LYS A 107 9.946 2.825 2.602 1.00 0.00 O ATOM 1585 CB LYS A 107 9.619 5.969 3.766 1.00 0.00 C ATOM 1586 CG LYS A 107 9.800 6.137 5.275 1.00 0.00 C ATOM 1587 CD LYS A 107 11.101 6.851 5.648 1.00 0.00 C ATOM 1588 CE LYS A 107 12.312 5.932 5.549 1.00 0.00 C ATOM 1589 NZ LYS A 107 13.578 6.634 5.874 1.00 0.00 N ATOM 0 H LYS A 107 11.644 6.849 2.660 1.00 0.00 H new ATOM 0 HA LYS A 107 11.202 4.492 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.664 6.950 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.624 5.568 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.956 6.699 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.783 5.155 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.244 7.709 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.023 7.237 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.182 5.089 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.374 5.523 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.215 5.985 6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.033 6.954 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.374 7.456 6.477 1.00 0.00 H new ATOM 1603 N CYS A 108 9.376 4.375 1.099 1.00 0.00 N ATOM 1604 CA CYS A 108 8.645 3.405 0.307 1.00 0.00 C ATOM 1605 C CYS A 108 9.565 2.592 -0.603 1.00 0.00 C ATOM 1606 O CYS A 108 9.215 1.485 -0.991 1.00 0.00 O ATOM 1607 CB CYS A 108 7.550 4.085 -0.515 1.00 0.00 C ATOM 1608 SG CYS A 108 6.130 4.668 0.486 1.00 0.00 S ATOM 0 H CYS A 108 9.397 5.321 0.718 1.00 0.00 H new ATOM 0 HA CYS A 108 8.180 2.711 1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.981 4.934 -1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.188 3.387 -1.270 1.00 0.00 H new ATOM 1613 N MET A 109 10.749 3.109 -0.913 1.00 0.00 N ATOM 1614 CA MET A 109 11.681 2.392 -1.779 1.00 0.00 C ATOM 1615 C MET A 109 12.116 1.086 -1.131 1.00 0.00 C ATOM 1616 O MET A 109 12.144 0.035 -1.772 1.00 0.00 O ATOM 1617 CB MET A 109 12.918 3.240 -2.074 1.00 0.00 C ATOM 1618 CG MET A 109 12.976 3.779 -3.494 1.00 0.00 C ATOM 1619 SD MET A 109 13.088 2.474 -4.738 1.00 0.00 S ATOM 1620 CE MET A 109 14.614 1.667 -4.255 1.00 0.00 C ATOM 0 H MET A 109 11.085 4.013 -0.582 1.00 0.00 H new ATOM 0 HA MET A 109 11.163 2.180 -2.714 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.946 4.078 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.809 2.641 -1.887 1.00 0.00 H new ATOM 0 HG2 MET A 109 12.088 4.381 -3.685 1.00 0.00 H new ATOM 0 HG3 MET A 109 13.836 4.441 -3.591 1.00 0.00 H new ATOM 0 HE1 MET A 109 15.275 1.591 -5.119 1.00 0.00 H new ATOM 0 HE2 MET A 109 15.103 2.250 -3.475 1.00 0.00 H new ATOM 0 HE3 MET A 109 14.394 0.668 -3.878 1.00 0.00 H new ATOM 1630 N LYS A 110 12.432 1.167 0.152 1.00 0.00 N ATOM 1631 CA LYS A 110 12.911 0.000 0.902 1.00 0.00 C ATOM 1632 C LYS A 110 11.821 -1.053 1.029 1.00 0.00 C ATOM 1633 O LYS A 110 12.030 -2.234 0.761 1.00 0.00 O ATOM 1634 CB LYS A 110 13.428 0.373 2.300 1.00 0.00 C ATOM 1635 CG LYS A 110 12.542 1.320 3.101 1.00 0.00 C ATOM 1636 CD LYS A 110 12.554 0.983 4.585 1.00 0.00 C ATOM 1637 CE LYS A 110 13.853 1.412 5.260 1.00 0.00 C ATOM 1638 NZ LYS A 110 15.026 0.608 4.813 1.00 0.00 N ATOM 0 H LYS A 110 12.368 2.024 0.701 1.00 0.00 H new ATOM 0 HA LYS A 110 13.746 -0.408 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.561 -0.544 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.413 0.829 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.883 2.345 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.520 1.268 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.712 1.473 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.416 -0.091 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.037 2.465 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 110 13.744 1.319 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 15.714 0.536 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 14.710 -0.345 4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 15.473 1.071 3.996 1.00 0.00 H new ATOM 1652 N THR A 111 10.653 -0.613 1.444 1.00 0.00 N ATOM 1653 CA THR A 111 9.492 -1.473 1.517 1.00 0.00 C ATOM 1654 C THR A 111 9.155 -2.106 0.150 1.00 0.00 C ATOM 1655 O THR A 111 8.415 -3.090 0.082 1.00 0.00 O ATOM 1656 CB THR A 111 8.295 -0.685 2.110 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.822 -1.343 3.297 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.131 -0.516 1.127 1.00 0.00 C ATOM 0 H THR A 111 10.482 0.348 1.740 1.00 0.00 H new ATOM 0 HA THR A 111 9.718 -2.306 2.183 1.00 0.00 H new ATOM 0 HB THR A 111 8.665 0.314 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.067 -0.842 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.328 0.044 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.475 0.025 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.761 -1.497 0.829 1.00 0.00 H new ATOM 1666 N ILE A 112 9.747 -1.592 -0.930 1.00 0.00 N ATOM 1667 CA ILE A 112 9.463 -2.112 -2.254 1.00 0.00 C ATOM 1668 C ILE A 112 10.447 -3.220 -2.601 1.00 0.00 C ATOM 1669 O ILE A 112 10.050 -4.256 -3.141 1.00 0.00 O ATOM 1670 CB ILE A 112 9.467 -0.991 -3.326 1.00 0.00 C ATOM 1671 CG1 ILE A 112 8.032 -0.607 -3.705 1.00 0.00 C ATOM 1672 CG2 ILE A 112 10.256 -1.381 -4.571 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.241 -0.016 -2.565 1.00 0.00 C ATOM 0 H ILE A 112 10.418 -0.824 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 112 8.457 -2.532 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 112 9.966 -0.128 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.062 0.110 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.514 -1.492 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.228 -0.563 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.290 -1.588 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.814 -2.272 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.236 0.231 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.179 -0.739 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.735 0.888 -2.209 1.00 0.00 H new ATOM 1685 N ASP A 113 11.726 -3.022 -2.261 1.00 0.00 N ATOM 1686 CA ASP A 113 12.728 -4.053 -2.505 1.00 0.00 C ATOM 1687 C ASP A 113 12.412 -5.301 -1.703 1.00 0.00 C ATOM 1688 O ASP A 113 12.638 -6.417 -2.172 1.00 0.00 O ATOM 1689 CB ASP A 113 14.169 -3.596 -2.213 1.00 0.00 C ATOM 1690 CG ASP A 113 14.426 -3.155 -0.791 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.590 -4.036 0.079 1.00 0.00 O ATOM 1692 OD2 ASP A 113 14.526 -1.937 -0.560 1.00 0.00 O ATOM 0 H ASP A 113 12.082 -2.172 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 113 12.679 -4.271 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.848 -4.414 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.415 -2.772 -2.883 1.00 0.00 H new ATOM 1697 N VAL A 114 11.855 -5.119 -0.512 1.00 0.00 N ATOM 1698 CA VAL A 114 11.521 -6.252 0.327 1.00 0.00 C ATOM 1699 C VAL A 114 10.202 -6.884 -0.126 1.00 0.00 C ATOM 1700 O VAL A 114 10.044 -8.104 -0.103 1.00 0.00 O ATOM 1701 CB VAL A 114 11.456 -5.888 1.818 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.842 -5.545 2.322 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.515 -4.746 2.069 1.00 0.00 C ATOM 0 H VAL A 114 11.629 -4.208 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 114 12.327 -6.977 0.213 1.00 0.00 H new ATOM 0 HB VAL A 114 11.075 -6.753 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.791 -5.287 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.500 -6.403 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 114 13.234 -4.697 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.496 -4.518 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.851 -3.869 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.513 -5.021 1.739 1.00 0.00 H new ATOM 1713 N ALA A 115 9.259 -6.052 -0.567 1.00 0.00 N ATOM 1714 CA ALA A 115 7.994 -6.550 -1.103 1.00 0.00 C ATOM 1715 C ALA A 115 8.218 -7.418 -2.344 1.00 0.00 C ATOM 1716 O ALA A 115 7.738 -8.571 -2.436 1.00 0.00 O ATOM 1717 CB ALA A 115 7.084 -5.382 -1.424 1.00 0.00 C ATOM 0 H ALA A 115 9.347 -5.036 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 115 7.520 -7.177 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.141 -5.755 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.893 -4.810 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.563 -4.740 -2.163 1.00 0.00 H new ATOM 1723 N MET A 116 8.987 -6.891 -3.296 1.00 0.00 N ATOM 1724 CA MET A 116 9.272 -7.660 -4.489 1.00 0.00 C ATOM 1725 C MET A 116 10.170 -8.842 -4.139 1.00 0.00 C ATOM 1726 O MET A 116 10.195 -9.840 -4.845 1.00 0.00 O ATOM 1727 CB MET A 116 9.829 -6.816 -5.663 1.00 0.00 C ATOM 1728 CG MET A 116 11.113 -6.032 -5.416 1.00 0.00 C ATOM 1729 SD MET A 116 11.712 -5.234 -6.918 1.00 0.00 S ATOM 1730 CE MET A 116 13.150 -4.375 -6.290 1.00 0.00 C ATOM 0 H MET A 116 9.409 -5.963 -3.262 1.00 0.00 H new ATOM 0 HA MET A 116 8.322 -8.041 -4.863 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.999 -7.484 -6.507 1.00 0.00 H new ATOM 0 HB3 MET A 116 9.056 -6.110 -5.967 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.936 -5.277 -4.650 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.880 -6.704 -5.031 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.803 -4.104 -7.120 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.835 -3.473 -5.766 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.690 -5.025 -5.601 1.00 0.00 H new ATOM 1740 N CYS A 117 10.809 -8.760 -2.976 1.00 0.00 N ATOM 1741 CA CYS A 117 11.652 -9.832 -2.460 1.00 0.00 C ATOM 1742 C CYS A 117 10.782 -10.993 -2.011 1.00 0.00 C ATOM 1743 O CYS A 117 11.173 -12.159 -2.106 1.00 0.00 O ATOM 1744 CB CYS A 117 12.496 -9.301 -1.294 1.00 0.00 C ATOM 1745 SG CYS A 117 13.447 -10.557 -0.382 1.00 0.00 S ATOM 0 H CYS A 117 10.756 -7.946 -2.364 1.00 0.00 H new ATOM 0 HA CYS A 117 12.323 -10.186 -3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 117 13.190 -8.554 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.836 -8.790 -0.593 1.00 0.00 H new ATOM 1750 N PHE A 118 9.575 -10.669 -1.562 1.00 0.00 N ATOM 1751 CA PHE A 118 8.655 -11.679 -1.091 1.00 0.00 C ATOM 1752 C PHE A 118 8.108 -12.496 -2.254 1.00 0.00 C ATOM 1753 O PHE A 118 8.054 -13.725 -2.169 1.00 0.00 O ATOM 1754 CB PHE A 118 7.515 -11.057 -0.266 1.00 0.00 C ATOM 1755 CG PHE A 118 6.501 -12.055 0.226 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.818 -12.942 1.245 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.230 -12.109 -0.330 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.890 -13.859 1.697 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.299 -13.025 0.120 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.631 -13.902 1.133 1.00 0.00 C ATOM 0 H PHE A 118 9.218 -9.715 -1.517 1.00 0.00 H new ATOM 0 HA PHE A 118 9.206 -12.352 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.943 -10.536 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.007 -10.308 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.802 -12.915 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.966 -11.426 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.149 -14.543 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.313 -13.055 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.906 -14.621 1.484 1.00 0.00 H new ATOM 1770 N LYS A 119 7.705 -11.843 -3.350 1.00 0.00 N ATOM 1771 CA LYS A 119 7.198 -12.633 -4.480 1.00 0.00 C ATOM 1772 C LYS A 119 8.325 -13.428 -5.154 1.00 0.00 C ATOM 1773 O LYS A 119 8.067 -14.496 -5.705 1.00 0.00 O ATOM 1774 CB LYS A 119 6.362 -11.819 -5.500 1.00 0.00 C ATOM 1775 CG LYS A 119 6.884 -11.816 -6.940 1.00 0.00 C ATOM 1776 CD LYS A 119 8.044 -10.854 -7.150 1.00 0.00 C ATOM 1777 CE LYS A 119 7.627 -9.407 -6.943 1.00 0.00 C ATOM 1778 NZ LYS A 119 6.511 -9.009 -7.843 1.00 0.00 N ATOM 0 H LYS A 119 7.716 -10.831 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 119 6.493 -13.345 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.345 -12.212 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.304 -10.787 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.202 -12.824 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.071 -11.549 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.850 -11.102 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.439 -10.977 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.324 -9.263 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.483 -8.755 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.417 -7.973 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.710 -9.338 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.625 -9.437 -7.507 1.00 0.00 H new ATOM 1792 N LYS A 120 9.570 -12.921 -5.111 1.00 0.00 N ATOM 1793 CA LYS A 120 10.718 -13.716 -5.558 1.00 0.00 C ATOM 1794 C LYS A 120 10.754 -15.061 -4.844 1.00 0.00 C ATOM 1795 O LYS A 120 10.745 -16.113 -5.481 1.00 0.00 O ATOM 1796 CB LYS A 120 12.028 -12.987 -5.278 1.00 0.00 C ATOM 1797 CG LYS A 120 12.872 -12.765 -6.515 1.00 0.00 C ATOM 1798 CD LYS A 120 12.255 -11.703 -7.399 1.00 0.00 C ATOM 1799 CE LYS A 120 12.201 -10.368 -6.686 1.00 0.00 C ATOM 1800 NZ LYS A 120 13.553 -9.863 -6.324 1.00 0.00 N ATOM 0 H LYS A 120 9.800 -11.985 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 120 10.606 -13.870 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.807 -12.023 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.605 -13.560 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.879 -12.464 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.965 -13.698 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.835 -11.606 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.249 -12.006 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.702 -9.638 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.599 -10.466 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.489 -8.859 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.924 -10.410 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.192 -9.966 -7.138 1.00 0.00 H new ATOM 1814 N GLU A 121 10.773 -15.011 -3.517 1.00 0.00 N ATOM 1815 CA GLU A 121 10.771 -16.224 -2.707 1.00 0.00 C ATOM 1816 C GLU A 121 9.552 -17.105 -2.980 1.00 0.00 C ATOM 1817 O GLU A 121 9.711 -18.299 -3.228 1.00 0.00 O ATOM 1818 CB GLU A 121 10.844 -15.881 -1.222 1.00 0.00 C ATOM 1819 CG GLU A 121 12.249 -15.564 -0.744 1.00 0.00 C ATOM 1820 CD GLU A 121 13.184 -16.751 -0.848 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.147 -17.617 0.054 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.973 -16.813 -1.811 1.00 0.00 O ATOM 0 H GLU A 121 10.790 -14.144 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 121 11.657 -16.792 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.199 -15.025 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.452 -16.718 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 121 12.650 -14.738 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.209 -15.228 0.292 1.00 0.00 H new ATOM 1829 N ILE A 122 8.341 -16.540 -2.936 1.00 0.00 N ATOM 1830 CA ILE A 122 7.138 -17.316 -3.194 1.00 0.00 C ATOM 1831 C ILE A 122 7.190 -17.982 -4.577 1.00 0.00 C ATOM 1832 O ILE A 122 6.670 -19.080 -4.757 1.00 0.00 O ATOM 1833 CB ILE A 122 5.863 -16.440 -3.017 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.821 -17.188 -2.181 1.00 0.00 C ATOM 1835 CG2 ILE A 122 5.258 -16.012 -4.353 1.00 0.00 C ATOM 1836 CD1 ILE A 122 4.045 -18.238 -2.948 1.00 0.00 C ATOM 0 H ILE A 122 8.175 -15.556 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 122 7.087 -18.117 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 122 6.167 -15.532 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.322 -17.666 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.119 -16.465 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.372 -15.404 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.990 -15.430 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.981 -16.896 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 122 3.329 -18.720 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.512 -17.766 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 122 4.734 -18.985 -3.341 1.00 0.00 H new ATOM 1848 N HIS A 123 7.829 -17.331 -5.548 1.00 0.00 N ATOM 1849 CA HIS A 123 8.018 -17.942 -6.860 1.00 0.00 C ATOM 1850 C HIS A 123 9.054 -19.070 -6.809 1.00 0.00 C ATOM 1851 O HIS A 123 8.950 -20.050 -7.546 1.00 0.00 O ATOM 1852 CB HIS A 123 8.441 -16.897 -7.898 1.00 0.00 C ATOM 1853 CG HIS A 123 7.325 -16.017 -8.378 1.00 0.00 C ATOM 1854 ND1 HIS A 123 7.364 -15.347 -9.578 1.00 0.00 N ATOM 1855 CD2 HIS A 123 6.137 -15.693 -7.814 1.00 0.00 C ATOM 1856 CE1 HIS A 123 6.254 -14.651 -9.731 1.00 0.00 C ATOM 1857 NE2 HIS A 123 5.489 -14.843 -8.676 1.00 0.00 N ATOM 0 H HIS A 123 8.219 -16.393 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 123 7.059 -18.367 -7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 123 9.223 -16.271 -7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.878 -17.409 -8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.767 -16.040 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 123 6.013 -14.028 -10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 123 4.569 -14.429 -8.525 1.00 0.00 H new ATOM 1866 N LYS A 124 10.044 -18.939 -5.929 1.00 0.00 N ATOM 1867 CA LYS A 124 11.122 -19.899 -5.831 1.00 0.00 C ATOM 1868 C LYS A 124 10.696 -21.147 -5.057 1.00 0.00 C ATOM 1869 O LYS A 124 11.104 -22.257 -5.391 1.00 0.00 O ATOM 1870 CB LYS A 124 12.299 -19.219 -5.143 1.00 0.00 C ATOM 1871 CG LYS A 124 13.508 -20.101 -4.923 1.00 0.00 C ATOM 1872 CD LYS A 124 14.485 -19.404 -4.002 1.00 0.00 C ATOM 1873 CE LYS A 124 15.669 -20.288 -3.645 1.00 0.00 C ATOM 1874 NZ LYS A 124 16.558 -20.528 -4.812 1.00 0.00 N ATOM 0 H LYS A 124 10.115 -18.164 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 124 11.404 -20.229 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.600 -18.357 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.965 -18.838 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.202 -21.054 -4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.987 -20.323 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.845 -18.493 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.970 -19.103 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 124 16.241 -19.821 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.306 -21.242 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 17.352 -21.135 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 16.019 -20.997 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.925 -19.620 -5.161 1.00 0.00 H new ATOM 1888 N LEU A 125 9.864 -20.973 -4.028 1.00 0.00 N ATOM 1889 CA LEU A 125 9.377 -22.123 -3.262 1.00 0.00 C ATOM 1890 C LEU A 125 8.356 -22.965 -4.037 1.00 0.00 C ATOM 1891 O LEU A 125 8.065 -24.095 -3.643 1.00 0.00 O ATOM 1892 CB LEU A 125 8.819 -21.720 -1.899 1.00 0.00 C ATOM 1893 CG LEU A 125 7.934 -20.485 -1.858 1.00 0.00 C ATOM 1894 CD1 LEU A 125 6.463 -20.861 -1.756 1.00 0.00 C ATOM 1895 CD2 LEU A 125 8.366 -19.631 -0.688 1.00 0.00 C ATOM 0 H LEU A 125 9.519 -20.067 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 125 10.253 -22.749 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.248 -22.560 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.658 -21.559 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 125 8.046 -19.922 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.857 -19.955 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.180 -21.461 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.297 -21.436 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.743 -18.738 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 125 8.258 -20.199 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 125 9.409 -19.340 -0.816 1.00 0.00 H new