USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1017 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: B 8 SER OG : rot 178:sc= 0.107 USER MOD Set 1.2: B 10 THR OG1 : rot 89:sc= 0.105 USER MOD Set 2.1: A 55 GLN : amide:sc= 0.854 K(o=1.2,f=0.22) USER MOD Set 2.2: B 70 LYS NZ :NH3+ -131:sc= 0.34 (180deg=-0.15) USER MOD Set 3.1: A 40 CYS SG : rot 180:sc= -1.02 USER MOD Set 3.2: A 43 HIS : no HD1:sc= -4.16! C(o=-5.2!,f=-6.8!) USER MOD Single : A 8 SER OG : rot -31:sc= 0.19 USER MOD Single : A 9 ASN : amide:sc= -0.068 K(o=-0.068,f=-1.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00629 USER MOD Single : A 11 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.7) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-0.83) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.126) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 33 SER OG : rot 74:sc= 0.611 USER MOD Single : A 35 MET CE :methyl -176:sc= -0.881 (180deg=-0.973) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0943 F(o=-1.7!,f=-0.094) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= 2.35 (180deg=1.36) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.011 F(o=-1.4!,f=-0.011) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 1.16 (180deg=1.09) USER MOD Single : A 67 GLN : amide:sc= -1.88! C(o=-1.9!,f=-7.7!) USER MOD Single : A 68 SER OG : rot 69:sc= 1.24 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.1!) USER MOD Single : B 11 GLN : amide:sc=-0.000653 K(o=-0.00065,f=-0.91) USER MOD Single : B 14 SER OG : rot 76:sc= 1.12 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-9.5!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.122 USER MOD Single : B 33 SER OG : rot 160:sc= -0.216 USER MOD Single : B 35 MET CE :methyl 157:sc= -0.219 (180deg=-0.94) USER MOD Single : B 39 ASN : amide:sc= 1.24 K(o=1.2,f=-0.062) USER MOD Single : B 40 CYS SG : rot 70:sc= -1.45! USER MOD Single : B 42 THR OG1 : rot 32:sc= 0.194 USER MOD Single : B 43 HIS : no HE2:sc= -0.934 K(o=-0.93,f=-7.7!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0.0261 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B 60 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 163:sc= -0.0741 (180deg=-0.436) USER MOD Single : B 67 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.81) USER MOD Single : B 68 SER OG : rot 88:sc= 1.24 USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -1.689 20.678 -1.806 1.00 0.00 N ATOM 121 CA SER A 8 -0.341 21.209 -1.810 1.00 0.00 C ATOM 122 C SER A 8 0.663 20.082 -1.602 1.00 0.00 C ATOM 123 O SER A 8 0.382 19.115 -0.886 1.00 0.00 O ATOM 124 CB SER A 8 -0.193 22.272 -0.716 1.00 0.00 C ATOM 125 OG SER A 8 -0.650 21.781 0.535 1.00 0.00 O ATOM 0 HA SER A 8 -0.143 21.676 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.852 22.571 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.759 23.162 -0.990 1.00 0.00 H new ATOM 0 HG SER A 8 -1.370 21.132 0.389 1.00 0.00 H new ATOM 131 N ASN A 9 1.826 20.203 -2.231 1.00 0.00 N ATOM 132 CA ASN A 9 2.878 19.201 -2.092 1.00 0.00 C ATOM 133 C ASN A 9 3.319 19.095 -0.641 1.00 0.00 C ATOM 134 O ASN A 9 3.696 18.019 -0.170 1.00 0.00 O ATOM 135 CB ASN A 9 4.073 19.541 -2.986 1.00 0.00 C ATOM 136 CG ASN A 9 3.846 19.155 -4.437 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.185 18.159 -4.732 1.00 0.00 O ATOM 138 ND2 ASN A 9 4.380 19.948 -5.351 1.00 0.00 N ATOM 0 H ASN A 9 2.065 20.984 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 9 2.476 18.238 -2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.274 20.611 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.959 19.028 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.251 19.744 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.921 20.764 -5.065 1.00 0.00 H new ATOM 145 N THR A 10 3.249 20.218 0.066 1.00 0.00 N ATOM 146 CA THR A 10 3.579 20.262 1.479 1.00 0.00 C ATOM 147 C THR A 10 2.660 19.337 2.278 1.00 0.00 C ATOM 148 O THR A 10 3.122 18.580 3.130 1.00 0.00 O ATOM 149 CB THR A 10 3.453 21.697 2.022 1.00 0.00 C ATOM 150 OG1 THR A 10 4.038 22.615 1.090 1.00 0.00 O ATOM 151 CG2 THR A 10 4.145 21.832 3.370 1.00 0.00 C ATOM 0 H THR A 10 2.963 21.116 -0.325 1.00 0.00 H new ATOM 0 HA THR A 10 4.610 19.926 1.590 1.00 0.00 H new ATOM 0 HB THR A 10 2.395 21.924 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.956 23.528 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.041 22.855 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.688 21.147 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.202 21.591 3.262 1.00 0.00 H new ATOM 159 N GLN A 11 1.363 19.385 1.980 1.00 0.00 N ATOM 160 CA GLN A 11 0.385 18.558 2.681 1.00 0.00 C ATOM 161 C GLN A 11 0.614 17.081 2.384 1.00 0.00 C ATOM 162 O GLN A 11 0.595 16.253 3.291 1.00 0.00 O ATOM 163 CB GLN A 11 -1.046 18.949 2.296 1.00 0.00 C ATOM 164 CG GLN A 11 -2.113 18.085 2.961 1.00 0.00 C ATOM 165 CD GLN A 11 -2.020 18.107 4.478 1.00 0.00 C ATOM 166 OE1 GLN A 11 -1.611 19.104 5.077 1.00 0.00 O ATOM 167 NE2 GLN A 11 -2.394 17.006 5.107 1.00 0.00 N ATOM 0 H GLN A 11 0.966 19.987 1.259 1.00 0.00 H new ATOM 0 HA GLN A 11 0.516 18.728 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.214 19.992 2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.155 18.878 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.100 18.434 2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.015 17.058 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.727 16.202 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.350 16.960 6.125 1.00 0.00 H new ATOM 176 N VAL A 12 0.836 16.764 1.114 1.00 0.00 N ATOM 177 CA VAL A 12 1.058 15.383 0.700 1.00 0.00 C ATOM 178 C VAL A 12 2.254 14.786 1.436 1.00 0.00 C ATOM 179 O VAL A 12 2.167 13.694 1.998 1.00 0.00 O ATOM 180 CB VAL A 12 1.285 15.281 -0.825 1.00 0.00 C ATOM 181 CG1 VAL A 12 1.527 13.838 -1.246 1.00 0.00 C ATOM 182 CG2 VAL A 12 0.101 15.865 -1.583 1.00 0.00 C ATOM 0 H VAL A 12 0.867 17.443 0.354 1.00 0.00 H new ATOM 0 HA VAL A 12 0.161 14.819 0.954 1.00 0.00 H new ATOM 0 HB VAL A 12 2.175 15.860 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.684 13.795 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.410 13.453 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.661 13.231 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.280 15.784 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.804 15.316 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.022 16.914 -1.314 1.00 0.00 H new ATOM 192 N GLU A 13 3.358 15.522 1.453 1.00 0.00 N ATOM 193 CA GLU A 13 4.569 15.061 2.117 1.00 0.00 C ATOM 194 C GLU A 13 4.383 15.037 3.633 1.00 0.00 C ATOM 195 O GLU A 13 4.859 14.127 4.308 1.00 0.00 O ATOM 196 CB GLU A 13 5.756 15.944 1.723 1.00 0.00 C ATOM 197 CG GLU A 13 7.074 15.525 2.354 1.00 0.00 C ATOM 198 CD GLU A 13 8.261 16.237 1.743 1.00 0.00 C ATOM 199 OE1 GLU A 13 8.339 17.479 1.848 1.00 0.00 O ATOM 200 OE2 GLU A 13 9.125 15.559 1.149 1.00 0.00 O ATOM 0 H GLU A 13 3.439 16.440 1.015 1.00 0.00 H new ATOM 0 HA GLU A 13 4.776 14.041 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.863 15.929 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.540 16.974 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.042 15.731 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.202 14.449 2.240 1.00 0.00 H new ATOM 207 N SER A 14 3.675 16.032 4.161 1.00 0.00 N ATOM 208 CA SER A 14 3.392 16.100 5.590 1.00 0.00 C ATOM 209 C SER A 14 2.565 14.899 6.030 1.00 0.00 C ATOM 210 O SER A 14 2.839 14.291 7.062 1.00 0.00 O ATOM 211 CB SER A 14 2.647 17.396 5.929 1.00 0.00 C ATOM 212 OG SER A 14 2.324 17.468 7.311 1.00 0.00 O ATOM 0 H SER A 14 3.286 16.803 3.618 1.00 0.00 H new ATOM 0 HA SER A 14 4.342 16.088 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.262 18.253 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.733 17.456 5.338 1.00 0.00 H new ATOM 0 HG SER A 14 1.851 18.307 7.493 1.00 0.00 H new ATOM 218 N LEU A 15 1.558 14.567 5.234 1.00 0.00 N ATOM 219 CA LEU A 15 0.679 13.448 5.529 1.00 0.00 C ATOM 220 C LEU A 15 1.492 12.154 5.580 1.00 0.00 C ATOM 221 O LEU A 15 1.373 11.364 6.523 1.00 0.00 O ATOM 222 CB LEU A 15 -0.417 13.370 4.459 1.00 0.00 C ATOM 223 CG LEU A 15 -1.772 12.840 4.930 1.00 0.00 C ATOM 224 CD1 LEU A 15 -2.837 13.089 3.877 1.00 0.00 C ATOM 225 CD2 LEU A 15 -1.696 11.359 5.246 1.00 0.00 C ATOM 0 H LEU A 15 1.330 15.063 4.372 1.00 0.00 H new ATOM 0 HA LEU A 15 0.206 13.590 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.563 14.367 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.062 12.734 3.648 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.041 13.375 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.794 12.705 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.922 14.160 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.561 12.581 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.673 11.007 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.398 10.811 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.962 11.192 6.035 1.00 0.00 H new ATOM 237 N ILE A 16 2.335 11.963 4.570 1.00 0.00 N ATOM 238 CA ILE A 16 3.231 10.815 4.519 1.00 0.00 C ATOM 239 C ILE A 16 4.153 10.802 5.739 1.00 0.00 C ATOM 240 O ILE A 16 4.354 9.762 6.369 1.00 0.00 O ATOM 241 CB ILE A 16 4.082 10.830 3.227 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.180 10.662 2.001 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.148 9.742 3.264 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.918 10.743 0.680 1.00 0.00 C ATOM 0 H ILE A 16 2.416 12.593 3.772 1.00 0.00 H new ATOM 0 HA ILE A 16 2.617 9.914 4.522 1.00 0.00 H new ATOM 0 HB ILE A 16 4.589 11.792 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.673 9.699 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.408 11.431 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.732 9.774 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.806 9.906 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.670 8.767 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.211 10.615 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.402 11.716 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.672 9.957 0.636 1.00 0.00 H new ATOM 256 N ALA A 17 4.687 11.975 6.076 1.00 0.00 N ATOM 257 CA ALA A 17 5.579 12.120 7.219 1.00 0.00 C ATOM 258 C ALA A 17 4.893 11.693 8.513 1.00 0.00 C ATOM 259 O ALA A 17 5.511 11.045 9.356 1.00 0.00 O ATOM 260 CB ALA A 17 6.071 13.556 7.330 1.00 0.00 C ATOM 0 H ALA A 17 4.514 12.842 5.568 1.00 0.00 H new ATOM 0 HA ALA A 17 6.436 11.465 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.736 13.647 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.611 13.827 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.219 14.224 7.458 1.00 0.00 H new ATOM 266 N GLU A 18 3.616 12.044 8.659 1.00 0.00 N ATOM 267 CA GLU A 18 2.840 11.664 9.840 1.00 0.00 C ATOM 268 C GLU A 18 2.827 10.149 10.000 1.00 0.00 C ATOM 269 O GLU A 18 3.091 9.619 11.083 1.00 0.00 O ATOM 270 CB GLU A 18 1.402 12.177 9.731 1.00 0.00 C ATOM 271 CG GLU A 18 1.274 13.685 9.833 1.00 0.00 C ATOM 272 CD GLU A 18 -0.137 14.160 9.557 1.00 0.00 C ATOM 273 OE1 GLU A 18 -0.979 14.126 10.482 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.426 14.551 8.412 1.00 0.00 O ATOM 0 H GLU A 18 3.096 12.592 7.973 1.00 0.00 H new ATOM 0 HA GLU A 18 3.312 12.115 10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.982 11.851 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.803 11.718 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.575 14.007 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.958 14.154 9.126 1.00 0.00 H new ATOM 281 N ILE A 19 2.538 9.460 8.907 1.00 0.00 N ATOM 282 CA ILE A 19 2.488 8.004 8.915 1.00 0.00 C ATOM 283 C ILE A 19 3.874 7.426 9.212 1.00 0.00 C ATOM 284 O ILE A 19 4.005 6.426 9.923 1.00 0.00 O ATOM 285 CB ILE A 19 1.981 7.457 7.565 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.837 8.327 7.038 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.508 6.019 7.725 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.422 8.002 5.623 1.00 0.00 C ATOM 0 H ILE A 19 2.334 9.885 8.002 1.00 0.00 H new ATOM 0 HA ILE A 19 1.792 7.700 9.697 1.00 0.00 H new ATOM 0 HB ILE A 19 2.802 7.481 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.026 8.212 7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.138 9.374 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.152 5.644 6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.335 5.400 8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.697 5.982 8.452 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.393 8.661 5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.270 8.145 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.089 6.966 5.571 1.00 0.00 H new ATOM 300 N LEU A 20 4.904 8.081 8.683 1.00 0.00 N ATOM 301 CA LEU A 20 6.285 7.661 8.910 1.00 0.00 C ATOM 302 C LEU A 20 6.672 7.828 10.378 1.00 0.00 C ATOM 303 O LEU A 20 7.407 7.009 10.929 1.00 0.00 O ATOM 304 CB LEU A 20 7.250 8.456 8.025 1.00 0.00 C ATOM 305 CG LEU A 20 7.055 8.276 6.518 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.072 9.103 5.746 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.161 6.809 6.135 1.00 0.00 C ATOM 0 H LEU A 20 4.808 8.907 8.092 1.00 0.00 H new ATOM 0 HA LEU A 20 6.356 6.606 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.148 9.515 8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.270 8.169 8.279 1.00 0.00 H new ATOM 0 HG LEU A 20 6.056 8.627 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.918 8.963 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.948 10.157 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.079 8.783 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.019 6.703 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.146 6.431 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.394 6.240 6.660 1.00 0.00 H new ATOM 319 N VAL A 21 6.173 8.889 11.005 1.00 0.00 N ATOM 320 CA VAL A 21 6.417 9.121 12.424 1.00 0.00 C ATOM 321 C VAL A 21 5.896 7.952 13.249 1.00 0.00 C ATOM 322 O VAL A 21 6.576 7.469 14.152 1.00 0.00 O ATOM 323 CB VAL A 21 5.764 10.434 12.920 1.00 0.00 C ATOM 324 CG1 VAL A 21 5.906 10.577 14.428 1.00 0.00 C ATOM 325 CG2 VAL A 21 6.383 11.634 12.222 1.00 0.00 C ATOM 0 H VAL A 21 5.598 9.600 10.553 1.00 0.00 H new ATOM 0 HA VAL A 21 7.496 9.212 12.552 1.00 0.00 H new ATOM 0 HB VAL A 21 4.702 10.393 12.676 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.439 11.508 14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.418 9.736 14.921 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.963 10.590 14.694 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.912 12.548 12.583 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.451 11.668 12.435 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.230 11.548 11.146 1.00 0.00 H new ATOM 335 N VAL A 22 4.697 7.484 12.920 1.00 0.00 N ATOM 336 CA VAL A 22 4.106 6.348 13.620 1.00 0.00 C ATOM 337 C VAL A 22 4.936 5.078 13.412 1.00 0.00 C ATOM 338 O VAL A 22 5.062 4.252 14.322 1.00 0.00 O ATOM 339 CB VAL A 22 2.645 6.106 13.181 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.060 4.886 13.877 1.00 0.00 C ATOM 341 CG2 VAL A 22 1.807 7.337 13.480 1.00 0.00 C ATOM 0 H VAL A 22 4.117 7.871 12.176 1.00 0.00 H new ATOM 0 HA VAL A 22 4.105 6.593 14.682 1.00 0.00 H new ATOM 0 HB VAL A 22 2.634 5.917 12.108 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.031 4.739 13.550 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.650 4.005 13.625 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.079 5.039 14.956 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.777 7.161 13.168 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.832 7.543 14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.209 8.192 12.936 1.00 0.00 H new ATOM 351 N LEU A 23 5.516 4.929 12.228 1.00 0.00 N ATOM 352 CA LEU A 23 6.401 3.804 11.957 1.00 0.00 C ATOM 353 C LEU A 23 7.634 3.880 12.855 1.00 0.00 C ATOM 354 O LEU A 23 8.078 2.871 13.400 1.00 0.00 O ATOM 355 CB LEU A 23 6.816 3.781 10.484 1.00 0.00 C ATOM 356 CG LEU A 23 5.669 3.583 9.489 1.00 0.00 C ATOM 357 CD1 LEU A 23 6.190 3.627 8.061 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.954 2.264 9.755 1.00 0.00 C ATOM 0 H LEU A 23 5.391 5.569 11.444 1.00 0.00 H new ATOM 0 HA LEU A 23 5.862 2.881 12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.321 4.718 10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.543 2.982 10.340 1.00 0.00 H new ATOM 0 HG LEU A 23 4.954 4.395 9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.362 3.485 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.658 4.594 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.924 2.834 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.142 2.140 9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.660 1.440 9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.548 2.268 10.767 1.00 0.00 H new ATOM 370 N GLU A 24 8.161 5.089 13.023 1.00 0.00 N ATOM 371 CA GLU A 24 9.287 5.335 13.924 1.00 0.00 C ATOM 372 C GLU A 24 8.890 5.103 15.381 1.00 0.00 C ATOM 373 O GLU A 24 9.701 4.651 16.192 1.00 0.00 O ATOM 374 CB GLU A 24 9.792 6.766 13.753 1.00 0.00 C ATOM 375 CG GLU A 24 10.659 6.968 12.523 1.00 0.00 C ATOM 376 CD GLU A 24 12.001 6.281 12.653 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.890 6.834 13.333 1.00 0.00 O ATOM 378 OE2 GLU A 24 12.177 5.197 12.071 1.00 0.00 O ATOM 0 H GLU A 24 7.823 5.923 12.542 1.00 0.00 H new ATOM 0 HA GLU A 24 10.081 4.634 13.667 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.936 7.439 13.697 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.362 7.048 14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.139 6.583 11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.813 8.035 12.360 1.00 0.00 H new ATOM 385 N LYS A 25 7.642 5.422 15.703 1.00 0.00 N ATOM 386 CA LYS A 25 7.114 5.258 17.056 1.00 0.00 C ATOM 387 C LYS A 25 7.217 3.813 17.525 1.00 0.00 C ATOM 388 O LYS A 25 7.600 3.545 18.664 1.00 0.00 O ATOM 389 CB LYS A 25 5.652 5.709 17.114 1.00 0.00 C ATOM 390 CG LYS A 25 5.472 7.213 17.038 1.00 0.00 C ATOM 391 CD LYS A 25 6.010 7.884 18.284 1.00 0.00 C ATOM 392 CE LYS A 25 5.969 9.397 18.177 1.00 0.00 C ATOM 393 NZ LYS A 25 6.440 10.040 19.429 1.00 0.00 N ATOM 0 H LYS A 25 6.968 5.801 15.038 1.00 0.00 H new ATOM 0 HA LYS A 25 7.716 5.879 17.720 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.106 5.245 16.293 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.206 5.345 18.040 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.987 7.601 16.159 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.415 7.451 16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.427 7.566 19.148 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.037 7.560 18.456 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.591 9.722 17.343 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.951 9.721 17.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.400 11.074 19.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.831 9.748 20.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.420 9.749 19.621 1.00 0.00 H new ATOM 407 N HIS A 26 6.877 2.887 16.643 1.00 0.00 N ATOM 408 CA HIS A 26 6.863 1.470 16.997 1.00 0.00 C ATOM 409 C HIS A 26 8.125 0.782 16.504 1.00 0.00 C ATOM 410 O HIS A 26 8.440 -0.331 16.929 1.00 0.00 O ATOM 411 CB HIS A 26 5.629 0.782 16.406 1.00 0.00 C ATOM 412 CG HIS A 26 4.338 1.399 16.846 1.00 0.00 C ATOM 413 ND1 HIS A 26 3.657 1.008 17.974 1.00 0.00 N ATOM 414 CD2 HIS A 26 3.623 2.416 16.315 1.00 0.00 C ATOM 415 CE1 HIS A 26 2.586 1.761 18.122 1.00 0.00 C ATOM 416 NE2 HIS A 26 2.539 2.629 17.128 1.00 0.00 N ATOM 0 H HIS A 26 6.607 3.086 15.680 1.00 0.00 H new ATOM 0 HA HIS A 26 6.824 1.392 18.084 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.688 0.817 15.318 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.637 -0.270 16.692 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.937 0.252 18.599 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.862 2.962 15.414 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.866 1.682 18.923 1.00 0.00 H new ATOM 425 N LYS A 27 8.843 1.469 15.619 1.00 0.00 N ATOM 426 CA LYS A 27 10.034 0.931 14.972 1.00 0.00 C ATOM 427 C LYS A 27 9.729 -0.367 14.242 1.00 0.00 C ATOM 428 O LYS A 27 10.113 -1.456 14.673 1.00 0.00 O ATOM 429 CB LYS A 27 11.183 0.761 15.965 1.00 0.00 C ATOM 430 CG LYS A 27 12.004 2.027 16.125 1.00 0.00 C ATOM 431 CD LYS A 27 12.708 2.378 14.823 1.00 0.00 C ATOM 432 CE LYS A 27 13.374 3.741 14.884 1.00 0.00 C ATOM 433 NZ LYS A 27 14.277 3.876 16.057 1.00 0.00 N ATOM 0 H LYS A 27 8.613 2.420 15.330 1.00 0.00 H new ATOM 0 HA LYS A 27 10.357 1.657 14.226 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.781 0.468 16.935 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.831 -0.049 15.631 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.357 2.850 16.428 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.740 1.892 16.917 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.457 1.618 14.600 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.987 2.364 14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.943 3.906 13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.608 4.515 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.810 4.766 15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.713 3.881 16.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.941 3.076 16.078 1.00 0.00 H new ATOM 447 N ALA A 28 9.009 -0.232 13.141 1.00 0.00 N ATOM 448 CA ALA A 28 8.660 -1.365 12.308 1.00 0.00 C ATOM 449 C ALA A 28 9.762 -1.638 11.298 1.00 0.00 C ATOM 450 O ALA A 28 10.155 -0.747 10.544 1.00 0.00 O ATOM 451 CB ALA A 28 7.338 -1.108 11.598 1.00 0.00 C ATOM 0 H ALA A 28 8.653 0.662 12.803 1.00 0.00 H new ATOM 0 HA ALA A 28 8.549 -2.244 12.942 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.087 -1.966 10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.552 -0.953 12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.428 -0.220 10.973 1.00 0.00 H new ATOM 457 N PRO A 29 10.296 -2.870 11.285 1.00 0.00 N ATOM 458 CA PRO A 29 11.307 -3.278 10.306 1.00 0.00 C ATOM 459 C PRO A 29 10.763 -3.238 8.879 1.00 0.00 C ATOM 460 O PRO A 29 9.558 -3.064 8.674 1.00 0.00 O ATOM 461 CB PRO A 29 11.649 -4.716 10.713 1.00 0.00 C ATOM 462 CG PRO A 29 10.501 -5.175 11.545 1.00 0.00 C ATOM 463 CD PRO A 29 9.969 -3.951 12.231 1.00 0.00 C ATOM 0 HA PRO A 29 12.171 -2.613 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.779 -5.352 9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.582 -4.754 11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.733 -5.640 10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.820 -5.922 12.272 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.896 -4.022 12.407 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.441 -3.795 13.201 1.00 0.00 H new ATOM 471 N THR A 30 11.648 -3.412 7.903 1.00 0.00 N ATOM 472 CA THR A 30 11.272 -3.345 6.496 1.00 0.00 C ATOM 473 C THR A 30 10.117 -4.298 6.193 1.00 0.00 C ATOM 474 O THR A 30 9.155 -3.933 5.516 1.00 0.00 O ATOM 475 CB THR A 30 12.471 -3.696 5.597 1.00 0.00 C ATOM 476 OG1 THR A 30 13.667 -3.125 6.141 1.00 0.00 O ATOM 477 CG2 THR A 30 12.264 -3.179 4.180 1.00 0.00 C ATOM 0 H THR A 30 12.637 -3.602 8.063 1.00 0.00 H new ATOM 0 HA THR A 30 10.952 -2.324 6.288 1.00 0.00 H new ATOM 0 HB THR A 30 12.561 -4.782 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.428 -3.352 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.127 -3.441 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.367 -3.630 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.150 -2.095 4.201 1.00 0.00 H new ATOM 485 N ASP A 31 10.213 -5.509 6.736 1.00 0.00 N ATOM 486 CA ASP A 31 9.196 -6.537 6.537 1.00 0.00 C ATOM 487 C ASP A 31 7.846 -6.070 7.059 1.00 0.00 C ATOM 488 O ASP A 31 6.838 -6.120 6.353 1.00 0.00 O ATOM 489 CB ASP A 31 9.588 -7.826 7.265 1.00 0.00 C ATOM 490 CG ASP A 31 10.991 -8.285 6.933 1.00 0.00 C ATOM 491 OD1 ASP A 31 11.159 -9.056 5.967 1.00 0.00 O ATOM 492 OD2 ASP A 31 11.931 -7.881 7.648 1.00 0.00 O ATOM 0 H ASP A 31 10.993 -5.804 7.323 1.00 0.00 H new ATOM 0 HA ASP A 31 9.123 -6.727 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.507 -7.669 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.882 -8.614 7.004 1.00 0.00 H new ATOM 497 N LEU A 32 7.842 -5.600 8.299 1.00 0.00 N ATOM 498 CA LEU A 32 6.613 -5.194 8.965 1.00 0.00 C ATOM 499 C LEU A 32 6.015 -3.962 8.293 1.00 0.00 C ATOM 500 O LEU A 32 4.799 -3.863 8.137 1.00 0.00 O ATOM 501 CB LEU A 32 6.885 -4.918 10.448 1.00 0.00 C ATOM 502 CG LEU A 32 5.648 -4.626 11.301 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.668 -5.784 11.235 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.049 -4.355 12.742 1.00 0.00 C ATOM 0 H LEU A 32 8.682 -5.490 8.867 1.00 0.00 H new ATOM 0 HA LEU A 32 5.891 -6.007 8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.402 -5.779 10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.565 -4.070 10.523 1.00 0.00 H new ATOM 0 HG LEU A 32 5.159 -3.737 10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.795 -5.558 11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.356 -5.938 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.148 -6.689 11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.158 -4.149 13.335 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.561 -5.228 13.147 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.716 -3.494 12.778 1.00 0.00 H new ATOM 516 N SER A 33 6.876 -3.040 7.880 1.00 0.00 N ATOM 517 CA SER A 33 6.431 -1.824 7.214 1.00 0.00 C ATOM 518 C SER A 33 5.736 -2.144 5.894 1.00 0.00 C ATOM 519 O SER A 33 4.667 -1.609 5.606 1.00 0.00 O ATOM 520 CB SER A 33 7.619 -0.889 6.980 1.00 0.00 C ATOM 521 OG SER A 33 8.221 -0.519 8.208 1.00 0.00 O ATOM 0 H SER A 33 7.887 -3.112 7.995 1.00 0.00 H new ATOM 0 HA SER A 33 5.709 -1.324 7.860 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.354 -1.381 6.344 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.286 0.003 6.450 1.00 0.00 H new ATOM 0 HG SER A 33 8.730 -1.277 8.564 1.00 0.00 H new ATOM 527 N LEU A 34 6.334 -3.035 5.107 1.00 0.00 N ATOM 528 CA LEU A 34 5.761 -3.424 3.821 1.00 0.00 C ATOM 529 C LEU A 34 4.384 -4.052 4.011 1.00 0.00 C ATOM 530 O LEU A 34 3.456 -3.779 3.249 1.00 0.00 O ATOM 531 CB LEU A 34 6.684 -4.400 3.086 1.00 0.00 C ATOM 532 CG LEU A 34 8.028 -3.820 2.643 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.888 -4.897 2.003 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.820 -2.667 1.674 1.00 0.00 C ATOM 0 H LEU A 34 7.212 -3.500 5.336 1.00 0.00 H new ATOM 0 HA LEU A 34 5.655 -2.523 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.872 -5.255 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.162 -4.776 2.206 1.00 0.00 H new ATOM 0 HG LEU A 34 8.544 -3.442 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.840 -4.466 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.067 -5.695 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.374 -5.303 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.788 -2.268 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.282 -3.023 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.241 -1.883 2.161 1.00 0.00 H new ATOM 546 N MET A 35 4.255 -4.885 5.038 1.00 0.00 N ATOM 547 CA MET A 35 2.987 -5.542 5.325 1.00 0.00 C ATOM 548 C MET A 35 1.954 -4.537 5.825 1.00 0.00 C ATOM 549 O MET A 35 0.814 -4.536 5.367 1.00 0.00 O ATOM 550 CB MET A 35 3.172 -6.668 6.347 1.00 0.00 C ATOM 551 CG MET A 35 4.005 -7.831 5.829 1.00 0.00 C ATOM 552 SD MET A 35 4.074 -9.214 6.988 1.00 0.00 S ATOM 553 CE MET A 35 4.840 -8.440 8.408 1.00 0.00 C ATOM 0 H MET A 35 5.010 -5.120 5.683 1.00 0.00 H new ATOM 0 HA MET A 35 2.621 -5.979 4.396 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.646 -6.262 7.240 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.192 -7.039 6.647 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.589 -8.177 4.883 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.018 -7.484 5.624 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.014 -9.189 9.181 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.791 -7.997 8.112 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.183 -7.662 8.797 1.00 0.00 H new ATOM 563 N ALA A 36 2.363 -3.673 6.748 1.00 0.00 N ATOM 564 CA ALA A 36 1.462 -2.672 7.313 1.00 0.00 C ATOM 565 C ALA A 36 0.928 -1.743 6.228 1.00 0.00 C ATOM 566 O ALA A 36 -0.278 -1.495 6.148 1.00 0.00 O ATOM 567 CB ALA A 36 2.174 -1.869 8.390 1.00 0.00 C ATOM 0 H ALA A 36 3.312 -3.645 7.121 1.00 0.00 H new ATOM 0 HA ALA A 36 0.616 -3.192 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.490 -1.127 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.505 -2.538 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.038 -1.365 7.957 1.00 0.00 H new ATOM 573 N LEU A 37 1.833 -1.243 5.391 1.00 0.00 N ATOM 574 CA LEU A 37 1.457 -0.382 4.276 1.00 0.00 C ATOM 575 C LEU A 37 0.504 -1.112 3.339 1.00 0.00 C ATOM 576 O LEU A 37 -0.564 -0.597 3.004 1.00 0.00 O ATOM 577 CB LEU A 37 2.700 0.084 3.503 1.00 0.00 C ATOM 578 CG LEU A 37 3.318 1.412 3.966 1.00 0.00 C ATOM 579 CD1 LEU A 37 2.353 2.563 3.727 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.714 1.355 5.436 1.00 0.00 C ATOM 0 H LEU A 37 2.835 -1.421 5.465 1.00 0.00 H new ATOM 0 HA LEU A 37 0.952 0.495 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.461 -0.693 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.436 0.176 2.450 1.00 0.00 H new ATOM 0 HG LEU A 37 4.220 1.581 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.809 3.495 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.125 2.632 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.433 2.388 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.148 2.310 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.831 1.153 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.446 0.561 5.585 1.00 0.00 H new ATOM 592 N GLY A 38 0.888 -2.323 2.946 1.00 0.00 N ATOM 593 CA GLY A 38 0.078 -3.109 2.036 1.00 0.00 C ATOM 594 C GLY A 38 -1.304 -3.403 2.583 1.00 0.00 C ATOM 595 O GLY A 38 -2.301 -3.250 1.875 1.00 0.00 O ATOM 0 H GLY A 38 1.752 -2.775 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.017 -2.577 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.587 -4.049 1.824 1.00 0.00 H new ATOM 599 N ASN A 39 -1.368 -3.807 3.844 1.00 0.00 N ATOM 600 CA ASN A 39 -2.640 -4.136 4.473 1.00 0.00 C ATOM 601 C ASN A 39 -3.536 -2.909 4.570 1.00 0.00 C ATOM 602 O ASN A 39 -4.748 -3.016 4.432 1.00 0.00 O ATOM 603 CB ASN A 39 -2.431 -4.749 5.861 1.00 0.00 C ATOM 604 CG ASN A 39 -1.877 -6.164 5.805 1.00 0.00 C ATOM 605 OD1 ASN A 39 -2.189 -6.888 4.738 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 -1.178 -6.608 6.718 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.555 -3.915 4.451 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.133 -4.876 3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.749 -4.119 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.381 -4.757 6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.958 -6.022 7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.819 -7.561 6.668 1.00 0.00 H new ATOM 613 N CYS A 40 -2.938 -1.742 4.790 1.00 0.00 N ATOM 614 CA CYS A 40 -3.696 -0.495 4.845 1.00 0.00 C ATOM 615 C CYS A 40 -4.256 -0.144 3.463 1.00 0.00 C ATOM 616 O CYS A 40 -5.359 0.397 3.350 1.00 0.00 O ATOM 617 CB CYS A 40 -2.816 0.646 5.370 1.00 0.00 C ATOM 618 SG CYS A 40 -3.650 2.249 5.453 1.00 0.00 S ATOM 0 H CYS A 40 -1.934 -1.633 4.933 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.532 -0.632 5.531 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.457 0.384 6.365 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.939 0.738 4.729 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.825 3.144 5.910 1.00 0.00 H new ATOM 624 N VAL A 41 -3.499 -0.460 2.414 1.00 0.00 N ATOM 625 CA VAL A 41 -3.961 -0.243 1.044 1.00 0.00 C ATOM 626 C VAL A 41 -5.189 -1.111 0.759 1.00 0.00 C ATOM 627 O VAL A 41 -6.207 -0.619 0.271 1.00 0.00 O ATOM 628 CB VAL A 41 -2.850 -0.545 0.006 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.350 -0.326 -1.416 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.626 0.317 0.270 1.00 0.00 C ATOM 0 H VAL A 41 -2.566 -0.866 2.486 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.227 0.810 0.950 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.572 -1.594 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.549 -0.546 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.195 -0.986 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.664 0.711 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.856 0.092 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.900 1.370 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.243 0.109 1.269 1.00 0.00 H new ATOM 640 N THR A 42 -5.098 -2.398 1.094 1.00 0.00 N ATOM 641 CA THR A 42 -6.231 -3.306 0.946 1.00 0.00 C ATOM 642 C THR A 42 -7.375 -2.866 1.861 1.00 0.00 C ATOM 643 O THR A 42 -8.550 -2.920 1.491 1.00 0.00 O ATOM 644 CB THR A 42 -5.829 -4.754 1.292 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.550 -5.054 0.722 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.852 -5.745 0.767 1.00 0.00 C ATOM 0 H THR A 42 -4.254 -2.832 1.468 1.00 0.00 H new ATOM 0 HA THR A 42 -6.556 -3.273 -0.094 1.00 0.00 H new ATOM 0 HB THR A 42 -5.782 -4.840 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.299 -5.974 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.543 -6.758 1.025 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.824 -5.537 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.925 -5.653 -0.317 1.00 0.00 H new ATOM 654 N HIS A 43 -6.994 -2.420 3.055 1.00 0.00 N ATOM 655 CA HIS A 43 -7.916 -1.870 4.042 1.00 0.00 C ATOM 656 C HIS A 43 -8.844 -0.830 3.420 1.00 0.00 C ATOM 657 O HIS A 43 -10.061 -0.930 3.522 1.00 0.00 O ATOM 658 CB HIS A 43 -7.102 -1.246 5.192 1.00 0.00 C ATOM 659 CG HIS A 43 -7.796 -0.141 5.930 1.00 0.00 C ATOM 660 ND1 HIS A 43 -7.503 1.193 5.743 1.00 0.00 N ATOM 661 CD2 HIS A 43 -8.785 -0.182 6.834 1.00 0.00 C ATOM 662 CE1 HIS A 43 -8.296 1.925 6.506 1.00 0.00 C ATOM 663 NE2 HIS A 43 -9.086 1.112 7.177 1.00 0.00 N ATOM 0 H HIS A 43 -6.023 -2.431 3.367 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.543 -2.675 4.426 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.844 -2.031 5.902 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.166 -0.861 4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.259 -1.072 7.222 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.296 3.003 6.569 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.804 1.398 7.843 1.00 0.00 H new ATOM 672 N LEU A 44 -8.257 0.162 2.775 1.00 0.00 N ATOM 673 CA LEU A 44 -9.016 1.290 2.264 1.00 0.00 C ATOM 674 C LEU A 44 -9.843 0.901 1.045 1.00 0.00 C ATOM 675 O LEU A 44 -10.885 1.500 0.781 1.00 0.00 O ATOM 676 CB LEU A 44 -8.066 2.446 1.968 1.00 0.00 C ATOM 677 CG LEU A 44 -7.482 3.090 3.228 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.067 3.581 2.980 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.369 4.235 3.692 1.00 0.00 C ATOM 0 H LEU A 44 -7.255 0.210 2.592 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.728 1.614 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.250 2.085 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.597 3.205 1.394 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.444 2.335 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.674 4.034 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.436 2.741 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.074 4.321 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.943 4.685 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.434 4.986 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.366 3.855 3.915 1.00 0.00 H new ATOM 691 N LEU A 45 -9.394 -0.119 0.327 1.00 0.00 N ATOM 692 CA LEU A 45 -10.180 -0.686 -0.761 1.00 0.00 C ATOM 693 C LEU A 45 -11.444 -1.337 -0.205 1.00 0.00 C ATOM 694 O LEU A 45 -12.540 -1.135 -0.716 1.00 0.00 O ATOM 695 CB LEU A 45 -9.364 -1.722 -1.538 1.00 0.00 C ATOM 696 CG LEU A 45 -8.222 -1.158 -2.383 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.380 -2.286 -2.960 1.00 0.00 C ATOM 698 CD2 LEU A 45 -8.776 -0.286 -3.499 1.00 0.00 C ATOM 0 H LEU A 45 -8.492 -0.570 0.477 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.456 0.120 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.949 -2.439 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.039 -2.275 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.586 -0.546 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.571 -1.867 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.960 -2.879 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.004 -2.922 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.953 0.110 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.430 -0.882 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.342 0.540 -3.068 1.00 0.00 H new ATOM 710 N GLU A 46 -11.275 -2.090 0.869 1.00 0.00 N ATOM 711 CA GLU A 46 -12.372 -2.830 1.481 1.00 0.00 C ATOM 712 C GLU A 46 -13.230 -1.902 2.347 1.00 0.00 C ATOM 713 O GLU A 46 -14.302 -2.280 2.816 1.00 0.00 O ATOM 714 CB GLU A 46 -11.783 -3.972 2.319 1.00 0.00 C ATOM 715 CG GLU A 46 -12.599 -5.259 2.312 1.00 0.00 C ATOM 716 CD GLU A 46 -13.720 -5.268 3.328 1.00 0.00 C ATOM 717 OE1 GLU A 46 -13.446 -5.032 4.520 1.00 0.00 O ATOM 718 OE2 GLU A 46 -14.878 -5.555 2.952 1.00 0.00 O ATOM 0 H GLU A 46 -10.379 -2.207 1.341 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.018 -3.243 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.780 -4.193 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.678 -3.631 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.019 -5.408 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.936 -6.102 2.507 1.00 0.00 H new ATOM 725 N ARG A 47 -12.761 -0.677 2.540 1.00 0.00 N ATOM 726 CA ARG A 47 -13.441 0.267 3.413 1.00 0.00 C ATOM 727 C ARG A 47 -14.136 1.382 2.632 1.00 0.00 C ATOM 728 O ARG A 47 -15.320 1.640 2.840 1.00 0.00 O ATOM 729 CB ARG A 47 -12.450 0.868 4.412 1.00 0.00 C ATOM 730 CG ARG A 47 -13.049 1.900 5.361 1.00 0.00 C ATOM 731 CD ARG A 47 -14.055 1.287 6.324 1.00 0.00 C ATOM 732 NE ARG A 47 -15.338 0.983 5.689 1.00 0.00 N ATOM 733 CZ ARG A 47 -16.429 0.629 6.366 1.00 0.00 C ATOM 734 NH1 ARG A 47 -16.389 0.534 7.688 1.00 0.00 N ATOM 735 NH2 ARG A 47 -17.558 0.365 5.724 1.00 0.00 N ATOM 0 H ARG A 47 -11.913 -0.315 2.104 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.213 -0.286 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.015 0.061 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.634 1.333 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.249 2.375 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.536 2.684 4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.637 0.372 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.220 1.973 7.155 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.400 1.046 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.522 0.732 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.225 0.263 8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.594 0.432 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.391 0.094 6.247 1.00 0.00 H new ATOM 749 N LYS A 48 -13.403 2.047 1.744 1.00 0.00 N ATOM 750 CA LYS A 48 -13.918 3.251 1.096 1.00 0.00 C ATOM 751 C LYS A 48 -14.084 3.059 -0.410 1.00 0.00 C ATOM 752 O LYS A 48 -14.278 4.027 -1.149 1.00 0.00 O ATOM 753 CB LYS A 48 -12.993 4.442 1.386 1.00 0.00 C ATOM 754 CG LYS A 48 -12.789 4.703 2.874 1.00 0.00 C ATOM 755 CD LYS A 48 -12.019 5.992 3.133 1.00 0.00 C ATOM 756 CE LYS A 48 -11.714 6.165 4.616 1.00 0.00 C ATOM 757 NZ LYS A 48 -11.108 7.490 4.918 1.00 0.00 N ATOM 0 H LYS A 48 -12.462 1.778 1.458 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.906 3.454 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.024 4.262 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.408 5.336 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.759 4.756 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.251 3.865 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.088 5.982 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.600 6.843 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.634 6.050 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.036 5.376 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.414 7.388 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.632 7.856 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.853 8.154 5.211 1.00 0.00 H new ATOM 771 N VAL A 49 -14.013 1.816 -0.864 1.00 0.00 N ATOM 772 CA VAL A 49 -14.197 1.510 -2.279 1.00 0.00 C ATOM 773 C VAL A 49 -15.325 0.494 -2.465 1.00 0.00 C ATOM 774 O VAL A 49 -15.377 -0.516 -1.756 1.00 0.00 O ATOM 775 CB VAL A 49 -12.894 0.967 -2.915 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.079 0.707 -4.402 1.00 0.00 C ATOM 777 CG2 VAL A 49 -11.742 1.934 -2.686 1.00 0.00 C ATOM 0 H VAL A 49 -13.830 1.003 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.463 2.439 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.655 0.020 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.149 0.326 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.871 -0.028 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.351 1.636 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.836 1.534 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.980 2.897 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.584 2.065 -1.615 1.00 0.00 H new ATOM 787 N PRO A 50 -16.262 0.771 -3.395 1.00 0.00 N ATOM 788 CA PRO A 50 -17.337 -0.159 -3.750 1.00 0.00 C ATOM 789 C PRO A 50 -16.806 -1.561 -4.064 1.00 0.00 C ATOM 790 O PRO A 50 -15.732 -1.706 -4.645 1.00 0.00 O ATOM 791 CB PRO A 50 -17.985 0.466 -4.998 1.00 0.00 C ATOM 792 CG PRO A 50 -17.118 1.621 -5.384 1.00 0.00 C ATOM 793 CD PRO A 50 -16.363 2.026 -4.151 1.00 0.00 C ATOM 0 HA PRO A 50 -18.039 -0.293 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.049 -0.260 -5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.002 0.797 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.432 1.340 -6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.720 2.449 -5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.380 2.430 -4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.893 2.794 -3.588 1.00 0.00 H new ATOM 801 N SER A 51 -17.586 -2.573 -3.706 1.00 0.00 N ATOM 802 CA SER A 51 -17.145 -3.968 -3.727 1.00 0.00 C ATOM 803 C SER A 51 -16.523 -4.385 -5.066 1.00 0.00 C ATOM 804 O SER A 51 -15.371 -4.825 -5.109 1.00 0.00 O ATOM 805 CB SER A 51 -18.328 -4.873 -3.392 1.00 0.00 C ATOM 806 OG SER A 51 -18.942 -4.472 -2.178 1.00 0.00 O ATOM 0 H SER A 51 -18.548 -2.452 -3.391 1.00 0.00 H new ATOM 0 HA SER A 51 -16.359 -4.072 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.057 -4.840 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.989 -5.906 -3.310 1.00 0.00 H new ATOM 0 HG SER A 51 -19.698 -5.064 -1.983 1.00 0.00 H new ATOM 812 N GLU A 52 -17.261 -4.230 -6.157 1.00 0.00 N ATOM 813 CA GLU A 52 -16.788 -4.697 -7.456 1.00 0.00 C ATOM 814 C GLU A 52 -15.720 -3.768 -8.027 1.00 0.00 C ATOM 815 O GLU A 52 -15.008 -4.125 -8.967 1.00 0.00 O ATOM 816 CB GLU A 52 -17.952 -4.839 -8.437 1.00 0.00 C ATOM 817 CG GLU A 52 -19.018 -5.818 -7.969 1.00 0.00 C ATOM 818 CD GLU A 52 -19.967 -6.227 -9.075 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.812 -5.402 -9.481 1.00 0.00 O ATOM 820 OE2 GLU A 52 -19.878 -7.385 -9.543 1.00 0.00 O ATOM 0 H GLU A 52 -18.181 -3.789 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.335 -5.678 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.409 -3.862 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.566 -5.167 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.535 -6.707 -7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.588 -5.367 -7.157 1.00 0.00 H new ATOM 827 N SER A 53 -15.600 -2.586 -7.442 1.00 0.00 N ATOM 828 CA SER A 53 -14.595 -1.624 -7.865 1.00 0.00 C ATOM 829 C SER A 53 -13.273 -1.894 -7.146 1.00 0.00 C ATOM 830 O SER A 53 -12.207 -1.545 -7.643 1.00 0.00 O ATOM 831 CB SER A 53 -15.077 -0.195 -7.590 1.00 0.00 C ATOM 832 OG SER A 53 -14.122 0.767 -8.006 1.00 0.00 O ATOM 0 H SER A 53 -16.188 -2.270 -6.671 1.00 0.00 H new ATOM 0 HA SER A 53 -14.434 -1.731 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.019 -0.022 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.274 -0.076 -6.525 1.00 0.00 H new ATOM 0 HG SER A 53 -14.461 1.667 -7.818 1.00 0.00 H new ATOM 838 N ARG A 54 -13.355 -2.539 -5.982 1.00 0.00 N ATOM 839 CA ARG A 54 -12.169 -2.882 -5.199 1.00 0.00 C ATOM 840 C ARG A 54 -11.170 -3.660 -6.041 1.00 0.00 C ATOM 841 O ARG A 54 -9.985 -3.343 -6.062 1.00 0.00 O ATOM 842 CB ARG A 54 -12.559 -3.716 -3.981 1.00 0.00 C ATOM 843 CG ARG A 54 -13.505 -3.007 -3.035 1.00 0.00 C ATOM 844 CD ARG A 54 -13.993 -3.935 -1.941 1.00 0.00 C ATOM 845 NE ARG A 54 -14.965 -3.278 -1.073 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.520 -3.855 -0.010 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.235 -5.118 0.287 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.377 -3.176 0.742 1.00 0.00 N ATOM 0 H ARG A 54 -14.235 -2.835 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.706 -1.952 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.024 -4.642 -4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.656 -3.993 -3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.001 -2.150 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.358 -2.620 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.444 -4.820 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.145 -4.275 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.235 -2.320 -1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.590 -5.647 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.661 -5.559 1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.610 -2.212 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.802 -3.618 1.557 1.00 0.00 H new ATOM 862 N GLN A 55 -11.663 -4.676 -6.740 1.00 0.00 N ATOM 863 CA GLN A 55 -10.811 -5.506 -7.578 1.00 0.00 C ATOM 864 C GLN A 55 -10.271 -4.687 -8.744 1.00 0.00 C ATOM 865 O GLN A 55 -9.112 -4.825 -9.121 1.00 0.00 O ATOM 866 CB GLN A 55 -11.589 -6.725 -8.090 1.00 0.00 C ATOM 867 CG GLN A 55 -10.808 -8.033 -8.025 1.00 0.00 C ATOM 868 CD GLN A 55 -9.600 -8.060 -8.943 1.00 0.00 C ATOM 869 OE1 GLN A 55 -9.695 -8.465 -10.102 1.00 0.00 O ATOM 870 NE2 GLN A 55 -8.451 -7.645 -8.428 1.00 0.00 N ATOM 0 H GLN A 55 -12.647 -4.943 -6.742 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.971 -5.863 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.503 -6.831 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.889 -6.544 -9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.479 -8.201 -6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.472 -8.857 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.414 -7.317 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.604 -7.654 -8.997 1.00 0.00 H new ATOM 879 N ALA A 56 -11.110 -3.812 -9.289 1.00 0.00 N ATOM 880 CA ALA A 56 -10.707 -2.956 -10.396 1.00 0.00 C ATOM 881 C ALA A 56 -9.568 -2.032 -9.976 1.00 0.00 C ATOM 882 O ALA A 56 -8.524 -1.985 -10.630 1.00 0.00 O ATOM 883 CB ALA A 56 -11.893 -2.151 -10.905 1.00 0.00 C ATOM 0 H ALA A 56 -12.073 -3.678 -8.981 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.348 -3.589 -11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.574 -1.517 -11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.673 -2.830 -11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.283 -1.528 -10.100 1.00 0.00 H new ATOM 889 N VAL A 57 -9.762 -1.318 -8.870 1.00 0.00 N ATOM 890 CA VAL A 57 -8.737 -0.420 -8.350 1.00 0.00 C ATOM 891 C VAL A 57 -7.498 -1.210 -7.937 1.00 0.00 C ATOM 892 O VAL A 57 -6.376 -0.769 -8.161 1.00 0.00 O ATOM 893 CB VAL A 57 -9.241 0.407 -7.144 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.155 1.350 -6.647 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.495 1.189 -7.509 1.00 0.00 C ATOM 0 H VAL A 57 -10.619 -1.344 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.486 0.273 -9.153 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.491 -0.287 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.530 1.922 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.284 0.772 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.871 2.033 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.830 1.763 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.273 1.869 -8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.280 0.496 -7.812 1.00 0.00 H new ATOM 905 N ALA A 58 -7.708 -2.385 -7.353 1.00 0.00 N ATOM 906 CA ALA A 58 -6.603 -3.255 -6.966 1.00 0.00 C ATOM 907 C ALA A 58 -5.744 -3.602 -8.174 1.00 0.00 C ATOM 908 O ALA A 58 -4.520 -3.511 -8.120 1.00 0.00 O ATOM 909 CB ALA A 58 -7.117 -4.524 -6.305 1.00 0.00 C ATOM 0 H ALA A 58 -8.633 -2.757 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.989 -2.716 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.274 -5.156 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.687 -4.264 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.759 -5.063 -7.002 1.00 0.00 H new ATOM 915 N GLU A 59 -6.397 -3.991 -9.266 1.00 0.00 N ATOM 916 CA GLU A 59 -5.697 -4.293 -10.507 1.00 0.00 C ATOM 917 C GLU A 59 -4.950 -3.063 -11.012 1.00 0.00 C ATOM 918 O GLU A 59 -3.762 -3.138 -11.317 1.00 0.00 O ATOM 919 CB GLU A 59 -6.673 -4.783 -11.580 1.00 0.00 C ATOM 920 CG GLU A 59 -7.288 -6.145 -11.289 1.00 0.00 C ATOM 921 CD GLU A 59 -6.255 -7.243 -11.135 1.00 0.00 C ATOM 922 OE1 GLU A 59 -5.442 -7.444 -12.065 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.252 -7.917 -10.082 1.00 0.00 O ATOM 0 H GLU A 59 -7.410 -4.104 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.978 -5.086 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.473 -4.051 -11.689 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.151 -4.829 -12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.881 -6.082 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.972 -6.408 -12.096 1.00 0.00 H new ATOM 930 N GLN A 60 -5.651 -1.933 -11.077 1.00 0.00 N ATOM 931 CA GLN A 60 -5.062 -0.684 -11.558 1.00 0.00 C ATOM 932 C GLN A 60 -3.852 -0.288 -10.719 1.00 0.00 C ATOM 933 O GLN A 60 -2.770 -0.054 -11.252 1.00 0.00 O ATOM 934 CB GLN A 60 -6.093 0.448 -11.529 1.00 0.00 C ATOM 935 CG GLN A 60 -7.300 0.210 -12.420 1.00 0.00 C ATOM 936 CD GLN A 60 -8.333 1.317 -12.321 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.386 1.985 -11.179 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 -9.067 1.584 -13.273 1.00 0.00 N flip ATOM 0 H GLN A 60 -6.630 -1.856 -10.802 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.739 -0.850 -12.586 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.434 0.588 -10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.607 1.375 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.970 0.120 -13.455 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.764 -0.739 -12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.997 1.047 -14.137 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.745 2.342 -13.197 1.00 0.00 H new ATOM 947 N PHE A 61 -4.045 -0.234 -9.405 1.00 0.00 N ATOM 948 CA PHE A 61 -2.996 0.178 -8.484 1.00 0.00 C ATOM 949 C PHE A 61 -1.801 -0.765 -8.557 1.00 0.00 C ATOM 950 O PHE A 61 -0.660 -0.317 -8.608 1.00 0.00 O ATOM 951 CB PHE A 61 -3.536 0.235 -7.050 1.00 0.00 C ATOM 952 CG PHE A 61 -2.519 0.695 -6.039 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.216 2.040 -5.903 1.00 0.00 C ATOM 954 CD2 PHE A 61 -1.863 -0.219 -5.230 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.283 2.465 -4.976 1.00 0.00 C ATOM 956 CE2 PHE A 61 -0.928 0.200 -4.302 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.636 1.544 -4.177 1.00 0.00 C ATOM 0 H PHE A 61 -4.927 -0.473 -8.953 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.663 1.174 -8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.394 0.906 -7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.895 -0.754 -6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.715 2.765 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.085 -1.272 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.060 3.517 -4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.427 -0.523 -3.676 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.097 1.874 -3.456 1.00 0.00 H new ATOM 967 N ALA A 62 -2.069 -2.066 -8.574 1.00 0.00 N ATOM 968 CA ALA A 62 -1.006 -3.064 -8.618 1.00 0.00 C ATOM 969 C ALA A 62 -0.160 -2.909 -9.875 1.00 0.00 C ATOM 970 O ALA A 62 1.069 -2.967 -9.821 1.00 0.00 O ATOM 971 CB ALA A 62 -1.588 -4.468 -8.543 1.00 0.00 C ATOM 0 H ALA A 62 -3.012 -2.454 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.362 -2.905 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.780 -5.199 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.142 -4.583 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.259 -4.629 -9.387 1.00 0.00 H new ATOM 977 N LYS A 63 -0.821 -2.691 -11.007 1.00 0.00 N ATOM 978 CA LYS A 63 -0.120 -2.551 -12.277 1.00 0.00 C ATOM 979 C LYS A 63 0.572 -1.196 -12.361 1.00 0.00 C ATOM 980 O LYS A 63 1.657 -1.086 -12.917 1.00 0.00 O ATOM 981 CB LYS A 63 -1.086 -2.735 -13.449 1.00 0.00 C ATOM 982 CG LYS A 63 -1.841 -4.053 -13.401 1.00 0.00 C ATOM 983 CD LYS A 63 -2.850 -4.167 -14.531 1.00 0.00 C ATOM 984 CE LYS A 63 -4.032 -5.036 -14.130 1.00 0.00 C ATOM 985 NZ LYS A 63 -3.632 -6.423 -13.769 1.00 0.00 N ATOM 0 H LYS A 63 -1.836 -2.608 -11.071 1.00 0.00 H new ATOM 0 HA LYS A 63 0.641 -3.329 -12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.802 -1.913 -13.454 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.528 -2.677 -14.384 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.133 -4.880 -13.461 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.355 -4.143 -12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.203 -3.174 -14.808 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.367 -4.590 -15.412 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.543 -4.578 -13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.747 -5.071 -14.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.426 -6.902 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.374 -6.945 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.816 -6.392 -13.125 1.00 0.00 H new ATOM 999 N ALA A 64 -0.053 -0.171 -11.792 1.00 0.00 N ATOM 1000 CA ALA A 64 0.536 1.164 -11.766 1.00 0.00 C ATOM 1001 C ALA A 64 1.761 1.192 -10.858 1.00 0.00 C ATOM 1002 O ALA A 64 2.772 1.821 -11.174 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.489 2.193 -11.310 1.00 0.00 C ATOM 0 H ALA A 64 -0.966 -0.238 -11.343 1.00 0.00 H new ATOM 0 HA ALA A 64 0.852 1.418 -12.778 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.031 3.182 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.335 2.194 -11.998 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.837 1.941 -10.308 1.00 0.00 H new ATOM 1009 N LEU A 65 1.661 0.502 -9.729 1.00 0.00 N ATOM 1010 CA LEU A 65 2.772 0.384 -8.796 1.00 0.00 C ATOM 1011 C LEU A 65 3.927 -0.351 -9.468 1.00 0.00 C ATOM 1012 O LEU A 65 5.073 0.108 -9.452 1.00 0.00 O ATOM 1013 CB LEU A 65 2.330 -0.379 -7.544 1.00 0.00 C ATOM 1014 CG LEU A 65 3.240 -0.230 -6.325 1.00 0.00 C ATOM 1015 CD1 LEU A 65 3.039 1.131 -5.675 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.976 -1.344 -5.326 1.00 0.00 C ATOM 0 H LEU A 65 0.815 0.013 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 65 3.099 1.382 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.329 -0.045 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.256 -1.438 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 65 4.276 -0.303 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.694 1.221 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.277 1.916 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.001 1.233 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.632 -1.223 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.937 -1.301 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.169 -2.308 -5.797 1.00 0.00 H new ATOM 1028 N ALA A 66 3.604 -1.486 -10.079 1.00 0.00 N ATOM 1029 CA ALA A 66 4.588 -2.288 -10.791 1.00 0.00 C ATOM 1030 C ALA A 66 5.176 -1.513 -11.965 1.00 0.00 C ATOM 1031 O ALA A 66 6.372 -1.589 -12.225 1.00 0.00 O ATOM 1032 CB ALA A 66 3.967 -3.590 -11.273 1.00 0.00 C ATOM 0 H ALA A 66 2.660 -1.872 -10.094 1.00 0.00 H new ATOM 0 HA ALA A 66 5.397 -2.523 -10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.717 -4.177 -11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.601 -4.157 -10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.137 -3.371 -11.945 1.00 0.00 H new ATOM 1038 N GLN A 67 4.332 -0.758 -12.660 1.00 0.00 N ATOM 1039 CA GLN A 67 4.776 0.037 -13.801 1.00 0.00 C ATOM 1040 C GLN A 67 5.740 1.130 -13.356 1.00 0.00 C ATOM 1041 O GLN A 67 6.685 1.458 -14.070 1.00 0.00 O ATOM 1042 CB GLN A 67 3.577 0.653 -14.534 1.00 0.00 C ATOM 1043 CG GLN A 67 3.949 1.422 -15.797 1.00 0.00 C ATOM 1044 CD GLN A 67 4.583 0.546 -16.866 1.00 0.00 C ATOM 1045 OE1 GLN A 67 5.255 -0.442 -16.572 1.00 0.00 O ATOM 1046 NE2 GLN A 67 4.381 0.911 -18.119 1.00 0.00 N ATOM 0 H GLN A 67 3.336 -0.679 -12.454 1.00 0.00 H new ATOM 0 HA GLN A 67 5.299 -0.626 -14.490 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.878 -0.141 -14.797 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.054 1.325 -13.853 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.054 1.892 -16.205 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.640 2.224 -15.536 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.818 1.736 -18.325 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.788 0.368 -18.880 1.00 0.00 H new ATOM 1055 N SER A 68 5.510 1.678 -12.170 1.00 0.00 N ATOM 1056 CA SER A 68 6.397 2.690 -11.616 1.00 0.00 C ATOM 1057 C SER A 68 7.778 2.094 -11.347 1.00 0.00 C ATOM 1058 O SER A 68 8.797 2.763 -11.514 1.00 0.00 O ATOM 1059 CB SER A 68 5.804 3.267 -10.330 1.00 0.00 C ATOM 1060 OG SER A 68 4.529 3.840 -10.571 1.00 0.00 O ATOM 0 H SER A 68 4.717 1.438 -11.574 1.00 0.00 H new ATOM 0 HA SER A 68 6.504 3.497 -12.341 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.717 2.481 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.475 4.023 -9.923 1.00 0.00 H new ATOM 0 HG SER A 68 3.885 3.130 -10.774 1.00 0.00 H new ATOM 1066 N VAL A 69 7.799 0.833 -10.939 1.00 0.00 N ATOM 1067 CA VAL A 69 9.052 0.118 -10.725 1.00 0.00 C ATOM 1068 C VAL A 69 9.660 -0.313 -12.061 1.00 0.00 C ATOM 1069 O VAL A 69 10.866 -0.197 -12.278 1.00 0.00 O ATOM 1070 CB VAL A 69 8.839 -1.128 -9.836 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.134 -1.911 -9.670 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.276 -0.728 -8.479 1.00 0.00 C ATOM 0 H VAL A 69 6.962 0.282 -10.749 1.00 0.00 H new ATOM 0 HA VAL A 69 9.735 0.799 -10.218 1.00 0.00 H new ATOM 0 HB VAL A 69 8.116 -1.776 -10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.954 -2.782 -9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.490 -2.237 -10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.886 -1.275 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.133 -1.619 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.972 -0.054 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.319 -0.225 -8.616 1.00 0.00 H new ATOM 1082 N LYS A 70 8.812 -0.795 -12.956 1.00 0.00 N ATOM 1083 CA LYS A 70 9.253 -1.271 -14.258 1.00 0.00 C ATOM 1084 C LYS A 70 9.817 -0.124 -15.092 1.00 0.00 C ATOM 1085 O LYS A 70 10.857 -0.269 -15.726 1.00 0.00 O ATOM 1086 CB LYS A 70 8.089 -1.947 -14.985 1.00 0.00 C ATOM 1087 CG LYS A 70 8.494 -2.662 -16.261 1.00 0.00 C ATOM 1088 CD LYS A 70 7.348 -3.493 -16.809 1.00 0.00 C ATOM 1089 CE LYS A 70 7.774 -4.304 -18.019 1.00 0.00 C ATOM 1090 NZ LYS A 70 6.709 -5.243 -18.455 1.00 0.00 N ATOM 0 H LYS A 70 7.806 -0.867 -12.803 1.00 0.00 H new ATOM 0 HA LYS A 70 10.049 -2.001 -14.113 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.620 -2.664 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.337 -1.195 -15.224 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.807 -1.932 -17.007 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.352 -3.305 -16.065 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.980 -4.163 -16.032 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.521 -2.838 -17.082 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.023 -3.630 -18.839 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.678 -4.865 -17.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.037 -5.779 -19.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.489 -5.902 -17.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.854 -4.706 -18.706 1.00 0.00 H new ATOM 1392 N SER B 8 3.338 -11.432 14.956 1.00 0.00 N ATOM 1393 CA SER B 8 1.967 -11.746 15.290 1.00 0.00 C ATOM 1394 C SER B 8 1.017 -10.775 14.604 1.00 0.00 C ATOM 1395 O SER B 8 1.329 -9.592 14.440 1.00 0.00 O ATOM 1396 CB SER B 8 1.767 -11.702 16.806 1.00 0.00 C ATOM 1397 OG SER B 8 0.421 -11.982 17.151 1.00 0.00 O ATOM 0 HA SER B 8 1.747 -12.754 14.938 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.427 -12.426 17.284 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.046 -10.719 17.184 1.00 0.00 H new ATOM 0 HG SER B 8 0.326 -11.981 18.126 1.00 0.00 H new ATOM 1403 N ASN B 9 -0.142 -11.279 14.206 1.00 0.00 N ATOM 1404 CA ASN B 9 -1.157 -10.447 13.578 1.00 0.00 C ATOM 1405 C ASN B 9 -1.666 -9.401 14.563 1.00 0.00 C ATOM 1406 O ASN B 9 -2.121 -8.333 14.163 1.00 0.00 O ATOM 1407 CB ASN B 9 -2.315 -11.303 13.058 1.00 0.00 C ATOM 1408 CG ASN B 9 -1.942 -12.093 11.816 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -1.137 -11.644 11.000 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -2.507 -13.281 11.671 1.00 0.00 N ATOM 0 H ASN B 9 -0.403 -12.260 14.307 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.705 -9.935 12.728 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -2.634 -11.992 13.841 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -3.166 -10.660 12.834 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.280 -13.858 10.862 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.170 -13.619 12.369 1.00 0.00 H new ATOM 1417 N THR B 10 -1.559 -9.710 15.853 1.00 0.00 N ATOM 1418 CA THR B 10 -1.934 -8.776 16.904 1.00 0.00 C ATOM 1419 C THR B 10 -1.033 -7.540 16.858 1.00 0.00 C ATOM 1420 O THR B 10 -1.487 -6.409 17.052 1.00 0.00 O ATOM 1421 CB THR B 10 -1.808 -9.448 18.284 1.00 0.00 C ATOM 1422 OG1 THR B 10 -2.302 -10.794 18.214 1.00 0.00 O ATOM 1423 CG2 THR B 10 -2.586 -8.678 19.340 1.00 0.00 C ATOM 0 H THR B 10 -1.213 -10.607 16.194 1.00 0.00 H new ATOM 0 HA THR B 10 -2.969 -8.474 16.744 1.00 0.00 H new ATOM 0 HB THR B 10 -0.755 -9.454 18.565 1.00 0.00 H new ATOM 0 HG1 THR B 10 -1.572 -11.398 17.965 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.480 -9.175 20.304 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.197 -7.662 19.410 1.00 0.00 H new ATOM 0 HG23 THR B 10 -3.640 -8.645 19.063 1.00 0.00 H new ATOM 1431 N GLN B 11 0.248 -7.773 16.578 1.00 0.00 N ATOM 1432 CA GLN B 11 1.231 -6.702 16.474 1.00 0.00 C ATOM 1433 C GLN B 11 0.941 -5.833 15.258 1.00 0.00 C ATOM 1434 O GLN B 11 0.866 -4.607 15.359 1.00 0.00 O ATOM 1435 CB GLN B 11 2.640 -7.296 16.374 1.00 0.00 C ATOM 1436 CG GLN B 11 3.739 -6.262 16.177 1.00 0.00 C ATOM 1437 CD GLN B 11 5.091 -6.898 15.902 1.00 0.00 C ATOM 1438 OE1 GLN B 11 5.176 -7.984 15.326 1.00 0.00 O ATOM 1439 NE2 GLN B 11 6.154 -6.222 16.300 1.00 0.00 N ATOM 0 H GLN B 11 0.630 -8.705 16.418 1.00 0.00 H new ATOM 0 HA GLN B 11 1.170 -6.080 17.367 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.848 -7.863 17.281 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.667 -8.001 15.544 1.00 0.00 H new ATOM 0 HG2 GLN B 11 3.473 -5.607 15.347 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.809 -5.636 17.067 1.00 0.00 H new ATOM 0 HE21 GLN B 11 6.041 -5.326 16.774 1.00 0.00 H new ATOM 0 HE22 GLN B 11 7.088 -6.596 16.133 1.00 0.00 H new ATOM 1448 N VAL B 12 0.760 -6.482 14.114 1.00 0.00 N ATOM 1449 CA VAL B 12 0.497 -5.779 12.865 1.00 0.00 C ATOM 1450 C VAL B 12 -0.817 -5.005 12.950 1.00 0.00 C ATOM 1451 O VAL B 12 -0.888 -3.855 12.526 1.00 0.00 O ATOM 1452 CB VAL B 12 0.444 -6.755 11.667 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.332 -5.997 10.351 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.665 -7.665 11.657 1.00 0.00 C ATOM 0 H VAL B 12 0.791 -7.498 14.026 1.00 0.00 H new ATOM 0 HA VAL B 12 1.319 -5.081 12.706 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.446 -7.375 11.779 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.297 -6.707 9.524 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.578 -5.397 10.353 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.197 -5.345 10.232 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.606 -8.343 10.806 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.569 -7.061 11.578 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.695 -8.244 12.580 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.845 -5.636 13.518 1.00 0.00 N ATOM 1465 CA GLU B 13 -3.150 -4.999 13.693 1.00 0.00 C ATOM 1466 C GLU B 13 -3.008 -3.699 14.479 1.00 0.00 C ATOM 1467 O GLU B 13 -3.573 -2.672 14.109 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.103 -5.947 14.429 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.531 -5.434 14.549 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.273 -5.430 13.227 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.772 -6.500 12.822 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.384 -4.356 12.600 1.00 0.00 O ATOM 0 H GLU B 13 -1.798 -6.593 13.867 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.559 -4.772 12.708 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.116 -6.905 13.909 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.711 -6.132 15.429 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -6.075 -6.053 15.262 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.515 -4.422 14.953 1.00 0.00 H new ATOM 1479 N SER B 14 -2.232 -3.754 15.556 1.00 0.00 N ATOM 1480 CA SER B 14 -1.990 -2.585 16.388 1.00 0.00 C ATOM 1481 C SER B 14 -1.284 -1.490 15.591 1.00 0.00 C ATOM 1482 O SER B 14 -1.613 -0.310 15.712 1.00 0.00 O ATOM 1483 CB SER B 14 -1.147 -2.975 17.601 1.00 0.00 C ATOM 1484 OG SER B 14 -1.794 -3.972 18.376 1.00 0.00 O ATOM 0 H SER B 14 -1.759 -4.600 15.873 1.00 0.00 H new ATOM 0 HA SER B 14 -2.951 -2.198 16.728 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.176 -3.342 17.269 1.00 0.00 H new ATOM 0 HB3 SER B 14 -0.962 -2.095 18.217 1.00 0.00 H new ATOM 0 HG SER B 14 -1.717 -4.838 17.925 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.321 -1.889 14.767 1.00 0.00 N ATOM 1491 CA LEU B 15 0.414 -0.945 13.938 1.00 0.00 C ATOM 1492 C LEU B 15 -0.516 -0.302 12.913 1.00 0.00 C ATOM 1493 O LEU B 15 -0.500 0.916 12.719 1.00 0.00 O ATOM 1494 CB LEU B 15 1.574 -1.648 13.229 1.00 0.00 C ATOM 1495 CG LEU B 15 2.494 -0.730 12.424 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.129 0.308 13.331 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.568 -1.536 11.717 1.00 0.00 C ATOM 0 H LEU B 15 -0.032 -2.861 14.656 1.00 0.00 H new ATOM 0 HA LEU B 15 0.820 -0.164 14.581 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.172 -2.172 13.975 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.165 -2.405 12.559 1.00 0.00 H new ATOM 0 HG LEU B 15 1.894 -0.218 11.671 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.781 0.954 12.744 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.349 0.909 13.799 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.714 -0.192 14.103 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.212 -0.865 11.150 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.164 -2.074 12.454 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.100 -2.249 11.038 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.333 -1.134 12.277 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.300 -0.671 11.294 1.00 0.00 C ATOM 1511 C ILE B 16 -3.295 0.294 11.931 1.00 0.00 C ATOM 1512 O ILE B 16 -3.608 1.339 11.365 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.064 -1.859 10.661 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.098 -2.773 9.905 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -4.161 -1.364 9.728 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.750 -4.024 9.352 1.00 0.00 C ATOM 0 H ILE B 16 -1.343 -2.143 12.428 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.749 -0.152 10.510 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.530 -2.429 11.465 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.650 -2.214 9.083 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.287 -3.062 10.573 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.683 -2.217 9.296 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.867 -0.752 10.289 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.718 -0.767 8.930 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.004 -4.622 8.829 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.173 -4.606 10.171 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.542 -3.745 8.658 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.768 -0.051 13.119 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.720 0.787 13.834 1.00 0.00 C ATOM 1530 C ALA B 17 -4.159 2.188 14.074 1.00 0.00 C ATOM 1531 O ALA B 17 -4.858 3.180 13.892 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.113 0.137 15.154 1.00 0.00 C ATOM 0 H ALA B 17 -3.508 -0.907 13.609 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.610 0.887 13.213 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.825 0.776 15.676 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.570 -0.833 14.960 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.225 0.002 15.772 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.885 2.265 14.442 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.267 3.540 14.797 1.00 0.00 C ATOM 1540 C GLU B 18 -2.139 4.462 13.587 1.00 0.00 C ATOM 1541 O GLU B 18 -2.471 5.648 13.664 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.897 3.310 15.433 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.972 2.709 16.827 1.00 0.00 C ATOM 1544 CD GLU B 18 -1.483 3.690 17.864 1.00 0.00 C ATOM 1545 OE1 GLU B 18 -2.552 4.303 17.655 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -0.802 3.867 18.897 1.00 0.00 O ATOM 0 H GLU B 18 -2.260 1.462 14.503 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.918 4.030 15.521 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.313 2.650 14.792 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.364 4.259 15.483 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.625 1.836 16.807 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.018 2.360 17.121 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.672 3.915 12.472 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.517 4.695 11.248 1.00 0.00 C ATOM 1555 C ILE B 19 -2.881 5.050 10.657 1.00 0.00 C ATOM 1556 O ILE B 19 -3.045 6.098 10.028 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.663 3.950 10.199 1.00 0.00 C ATOM 1558 CG1 ILE B 19 -1.219 2.549 9.943 1.00 0.00 C ATOM 1559 CG2 ILE B 19 0.786 3.876 10.657 1.00 0.00 C ATOM 1560 CD1 ILE B 19 -0.351 1.699 9.044 1.00 0.00 C ATOM 0 H ILE B 19 -1.394 2.937 12.388 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.995 5.614 11.514 1.00 0.00 H new ATOM 0 HB ILE B 19 -0.704 4.506 9.262 1.00 0.00 H new ATOM 0 HG12 ILE B 19 -1.345 2.039 10.898 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -2.209 2.638 9.497 1.00 0.00 H new ATOM 0 HG21 ILE B 19 1.378 3.348 9.909 1.00 0.00 H new ATOM 0 HG22 ILE B 19 1.179 4.885 10.785 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.841 3.342 11.606 1.00 0.00 H new ATOM 0 HD11 ILE B 19 -0.813 0.721 8.911 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.245 2.185 8.074 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.633 1.577 9.498 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.859 4.184 10.887 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.228 4.438 10.454 1.00 0.00 C ATOM 1574 C LEU B 20 -5.847 5.570 11.263 1.00 0.00 C ATOM 1575 O LEU B 20 -6.573 6.399 10.718 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.079 3.174 10.581 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.227 2.352 9.299 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -4.879 2.103 8.645 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.913 1.032 9.599 1.00 0.00 C ATOM 0 H LEU B 20 -3.730 3.296 11.373 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.200 4.734 9.405 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -5.643 2.539 11.352 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.073 3.458 10.927 1.00 0.00 H new ATOM 0 HG LEU B 20 -6.840 2.924 8.602 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.018 1.517 7.737 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -4.415 3.057 8.394 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.235 1.557 9.335 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -7.012 0.456 8.679 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.318 0.468 10.318 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -7.902 1.222 10.016 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.560 5.602 12.562 1.00 0.00 N ATOM 1592 CA VAL B 21 -6.010 6.699 13.411 1.00 0.00 C ATOM 1593 C VAL B 21 -5.510 8.025 12.849 1.00 0.00 C ATOM 1594 O VAL B 21 -6.268 8.985 12.743 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.535 6.535 14.875 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.841 7.782 15.690 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -6.185 5.321 15.517 1.00 0.00 C ATOM 0 H VAL B 21 -5.021 4.885 13.047 1.00 0.00 H new ATOM 0 HA VAL B 21 -7.100 6.686 13.417 1.00 0.00 H new ATOM 0 HB VAL B 21 -4.455 6.389 14.860 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -5.497 7.640 16.715 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -5.329 8.638 15.251 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.916 7.962 15.690 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.838 5.224 16.546 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -7.268 5.442 15.510 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.916 4.425 14.957 1.00 0.00 H new ATOM 1607 N VAL B 22 -4.242 8.054 12.455 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.652 9.249 11.863 1.00 0.00 C ATOM 1609 C VAL B 22 -4.394 9.646 10.586 1.00 0.00 C ATOM 1610 O VAL B 22 -4.833 10.788 10.442 1.00 0.00 O ATOM 1611 CB VAL B 22 -2.154 9.047 11.544 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -1.552 10.301 10.929 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -1.393 8.658 12.800 1.00 0.00 C ATOM 0 H VAL B 22 -3.602 7.263 12.535 1.00 0.00 H new ATOM 0 HA VAL B 22 -3.744 10.048 12.598 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.070 8.239 10.817 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.497 10.131 10.715 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.076 10.540 10.004 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -1.651 11.132 11.627 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -0.339 8.519 12.559 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -1.494 9.447 13.545 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.799 7.728 13.198 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.535 8.700 9.662 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.215 8.961 8.394 1.00 0.00 C ATOM 1625 C LEU B 23 -6.663 9.399 8.596 1.00 0.00 C ATOM 1626 O LEU B 23 -7.126 10.325 7.935 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.189 7.720 7.499 1.00 0.00 C ATOM 1628 CG LEU B 23 -3.805 7.247 7.055 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -3.925 5.992 6.207 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.096 8.343 6.282 1.00 0.00 C ATOM 0 H LEU B 23 -4.188 7.746 9.766 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.674 9.776 7.913 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.678 6.903 8.029 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -5.785 7.925 6.609 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.215 7.012 7.941 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -2.932 5.666 5.897 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.401 5.203 6.790 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.528 6.205 5.325 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.112 7.992 5.972 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.682 8.604 5.401 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -2.984 9.222 6.917 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.375 8.739 9.499 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.780 9.053 9.728 1.00 0.00 C ATOM 1644 C GLU B 24 -8.944 10.342 10.527 1.00 0.00 C ATOM 1645 O GLU B 24 -10.024 10.929 10.544 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.495 7.892 10.414 1.00 0.00 C ATOM 1647 CG GLU B 24 -9.640 6.668 9.520 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.448 6.950 8.264 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -9.870 7.430 7.267 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.669 6.683 8.263 1.00 0.00 O ATOM 0 H GLU B 24 -7.007 7.987 10.082 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.243 9.209 8.754 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.945 7.615 11.313 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -10.484 8.220 10.734 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -8.650 6.311 9.237 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.119 5.867 10.083 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.875 10.788 11.181 1.00 0.00 N ATOM 1658 CA LYS B 25 -7.866 12.117 11.788 1.00 0.00 C ATOM 1659 C LYS B 25 -7.765 13.178 10.702 1.00 0.00 C ATOM 1660 O LYS B 25 -8.013 14.357 10.939 1.00 0.00 O ATOM 1661 CB LYS B 25 -6.716 12.274 12.789 1.00 0.00 C ATOM 1662 CG LYS B 25 -6.972 11.598 14.124 1.00 0.00 C ATOM 1663 CD LYS B 25 -5.839 11.852 15.100 1.00 0.00 C ATOM 1664 CE LYS B 25 -6.098 11.184 16.437 1.00 0.00 C ATOM 1665 NZ LYS B 25 -4.970 11.380 17.384 1.00 0.00 N ATOM 0 H LYS B 25 -7.013 10.257 11.304 1.00 0.00 H new ATOM 0 HA LYS B 25 -8.800 12.244 12.336 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.807 11.862 12.352 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.536 13.336 12.958 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.907 11.966 14.546 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -7.091 10.525 13.973 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -4.905 11.479 14.680 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -5.716 12.925 15.246 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -7.012 11.587 16.873 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -6.262 10.117 16.284 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.187 10.908 18.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -4.103 10.972 16.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.830 12.397 17.551 1.00 0.00 H new ATOM 1679 N HIS B 26 -7.387 12.737 9.509 1.00 0.00 N ATOM 1680 CA HIS B 26 -7.380 13.597 8.335 1.00 0.00 C ATOM 1681 C HIS B 26 -8.714 13.460 7.619 1.00 0.00 C ATOM 1682 O HIS B 26 -9.144 14.360 6.901 1.00 0.00 O ATOM 1683 CB HIS B 26 -6.266 13.202 7.346 1.00 0.00 C ATOM 1684 CG HIS B 26 -4.912 12.999 7.952 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -4.062 11.983 7.573 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -4.250 13.700 8.889 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -2.937 12.079 8.257 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -3.026 13.113 9.062 1.00 0.00 N ATOM 0 H HIS B 26 -7.079 11.781 9.330 1.00 0.00 H new ATOM 0 HA HIS B 26 -7.206 14.620 8.669 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -6.561 12.282 6.841 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -6.191 13.975 6.582 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -4.618 14.570 9.412 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -2.087 11.419 8.169 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -2.303 13.427 9.709 1.00 0.00 H new ATOM 1697 N LYS B 27 -9.367 12.324 7.869 1.00 0.00 N ATOM 1698 CA LYS B 27 -10.492 11.862 7.067 1.00 0.00 C ATOM 1699 C LYS B 27 -10.102 11.895 5.595 1.00 0.00 C ATOM 1700 O LYS B 27 -10.670 12.632 4.789 1.00 0.00 O ATOM 1701 CB LYS B 27 -11.766 12.675 7.325 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.994 12.072 6.660 1.00 0.00 C ATOM 1703 CD LYS B 27 -14.265 12.826 7.000 1.00 0.00 C ATOM 1704 CE LYS B 27 -15.469 12.185 6.330 1.00 0.00 C ATOM 1705 NZ LYS B 27 -16.746 12.844 6.706 1.00 0.00 N ATOM 0 H LYS B 27 -9.126 11.698 8.638 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.725 10.838 7.359 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -11.937 12.743 8.399 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.623 13.692 6.960 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.854 12.070 5.579 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -13.098 11.032 6.970 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.408 12.838 8.081 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.174 13.864 6.679 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.345 12.230 5.248 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -15.514 11.131 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -17.536 12.370 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -16.880 12.779 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -16.717 13.844 6.423 1.00 0.00 H new ATOM 1719 N ALA B 28 -9.096 11.099 5.266 1.00 0.00 N ATOM 1720 CA ALA B 28 -8.543 11.083 3.926 1.00 0.00 C ATOM 1721 C ALA B 28 -9.453 10.322 2.975 1.00 0.00 C ATOM 1722 O ALA B 28 -9.704 9.128 3.165 1.00 0.00 O ATOM 1723 CB ALA B 28 -7.153 10.470 3.934 1.00 0.00 C ATOM 0 H ALA B 28 -8.646 10.453 5.915 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.468 12.112 3.575 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.752 10.465 2.921 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -6.500 11.057 4.580 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -7.208 9.447 4.307 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.973 11.008 1.946 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.787 10.376 0.909 1.00 0.00 C ATOM 1731 C PRO B 29 -9.959 9.400 0.088 1.00 0.00 C ATOM 1732 O PRO B 29 -8.728 9.446 0.127 1.00 0.00 O ATOM 1733 CB PRO B 29 -11.254 11.551 0.044 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.257 12.628 0.291 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.809 12.455 1.714 1.00 0.00 C ATOM 0 HA PRO B 29 -11.614 9.797 1.320 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.287 11.277 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.258 11.871 0.321 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.415 12.546 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.699 13.612 0.138 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.775 12.770 1.851 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.416 13.044 2.402 1.00 0.00 H new ATOM 1743 N THR B 30 -10.634 8.533 -0.655 1.00 0.00 N ATOM 1744 CA THR B 30 -9.971 7.492 -1.430 1.00 0.00 C ATOM 1745 C THR B 30 -8.828 8.060 -2.278 1.00 0.00 C ATOM 1746 O THR B 30 -7.729 7.508 -2.306 1.00 0.00 O ATOM 1747 CB THR B 30 -10.988 6.796 -2.346 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.288 6.862 -1.746 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.611 5.341 -2.571 1.00 0.00 C ATOM 0 H THR B 30 -11.651 8.531 -0.738 1.00 0.00 H new ATOM 0 HA THR B 30 -9.549 6.774 -0.727 1.00 0.00 H new ATOM 0 HB THR B 30 -10.992 7.305 -3.310 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.940 6.420 -2.329 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.347 4.871 -3.223 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.627 5.288 -3.037 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.588 4.819 -1.614 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.096 9.187 -2.927 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.124 9.844 -3.799 1.00 0.00 C ATOM 1759 C ASP B 31 -6.836 10.203 -3.052 1.00 0.00 C ATOM 1760 O ASP B 31 -5.753 9.733 -3.403 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.756 11.102 -4.398 1.00 0.00 C ATOM 1762 CG ASP B 31 -7.784 11.939 -5.204 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -7.400 11.518 -6.311 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -7.438 13.050 -4.746 1.00 0.00 O ATOM 0 H ASP B 31 -9.991 9.672 -2.865 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.852 9.148 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.590 10.812 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.168 11.711 -3.593 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.961 11.011 -2.002 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.795 11.495 -1.267 1.00 0.00 C ATOM 1771 C LEU B 32 -5.151 10.372 -0.452 1.00 0.00 C ATOM 1772 O LEU B 32 -3.934 10.358 -0.246 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.189 12.664 -0.350 1.00 0.00 C ATOM 1774 CG LEU B 32 -5.027 13.381 0.352 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -4.028 13.911 -0.665 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.552 14.514 1.217 1.00 0.00 C ATOM 0 H LEU B 32 -7.855 11.344 -1.642 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.062 11.848 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.739 13.396 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.874 12.290 0.411 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.516 12.661 0.991 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.213 14.415 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.628 13.082 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.526 14.616 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.717 15.013 1.709 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -6.087 15.230 0.593 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.229 14.113 1.971 1.00 0.00 H new ATOM 1788 N SER B 33 -5.962 9.425 0.001 1.00 0.00 N ATOM 1789 CA SER B 33 -5.461 8.334 0.824 1.00 0.00 C ATOM 1790 C SER B 33 -4.624 7.368 -0.012 1.00 0.00 C ATOM 1791 O SER B 33 -3.510 7.016 0.377 1.00 0.00 O ATOM 1792 CB SER B 33 -6.615 7.593 1.506 1.00 0.00 C ATOM 1793 OG SER B 33 -6.136 6.715 2.509 1.00 0.00 O ATOM 0 H SER B 33 -6.964 9.391 -0.187 1.00 0.00 H new ATOM 0 HA SER B 33 -4.823 8.760 1.599 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.303 8.314 1.948 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.178 7.028 0.763 1.00 0.00 H new ATOM 0 HG SER B 33 -6.862 6.503 3.132 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.148 6.952 -1.163 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.408 6.059 -2.052 1.00 0.00 C ATOM 1801 C LEU B 34 -3.131 6.741 -2.530 1.00 0.00 C ATOM 1802 O LEU B 34 -2.098 6.094 -2.710 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.260 5.654 -3.261 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.482 4.784 -2.951 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.277 4.519 -4.221 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.062 3.471 -2.309 1.00 0.00 C ATOM 0 H LEU B 34 -6.074 7.216 -1.500 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.154 5.159 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.600 6.560 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.625 5.118 -3.967 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.115 5.323 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.143 3.900 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.613 5.466 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.646 4.002 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.946 2.870 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.407 2.926 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.531 3.674 -1.379 1.00 0.00 H new ATOM 1818 N MET B 35 -3.215 8.054 -2.722 1.00 0.00 N ATOM 1819 CA MET B 35 -2.068 8.855 -3.132 1.00 0.00 C ATOM 1820 C MET B 35 -0.947 8.753 -2.099 1.00 0.00 C ATOM 1821 O MET B 35 0.199 8.454 -2.438 1.00 0.00 O ATOM 1822 CB MET B 35 -2.484 10.320 -3.303 1.00 0.00 C ATOM 1823 CG MET B 35 -1.410 11.198 -3.925 1.00 0.00 C ATOM 1824 SD MET B 35 -1.056 10.753 -5.638 1.00 0.00 S ATOM 1825 CE MET B 35 -2.661 11.026 -6.393 1.00 0.00 C ATOM 0 H MET B 35 -4.074 8.589 -2.599 1.00 0.00 H new ATOM 0 HA MET B 35 -1.702 8.472 -4.085 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.379 10.363 -3.924 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.752 10.727 -2.328 1.00 0.00 H new ATOM 0 HG2 MET B 35 -1.728 12.240 -3.882 1.00 0.00 H new ATOM 0 HG3 MET B 35 -0.496 11.119 -3.337 1.00 0.00 H new ATOM 0 HE1 MET B 35 -2.536 11.197 -7.462 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.290 10.150 -6.237 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.133 11.897 -5.939 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.291 8.989 -0.839 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.322 8.932 0.250 1.00 0.00 C ATOM 1837 C ALA B 36 0.235 7.521 0.421 1.00 0.00 C ATOM 1838 O ALA B 36 1.452 7.329 0.482 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.959 9.410 1.545 1.00 0.00 C ATOM 0 H ALA B 36 -2.239 9.223 -0.544 1.00 0.00 H new ATOM 0 HA ALA B 36 0.508 9.592 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.226 9.363 2.350 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.300 10.438 1.425 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.808 8.772 1.790 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.660 6.541 0.479 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.270 5.146 0.674 1.00 0.00 C ATOM 1847 C LEU B 37 0.645 4.662 -0.448 1.00 0.00 C ATOM 1848 O LEU B 37 1.687 4.061 -0.189 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.509 4.244 0.764 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.083 4.034 2.172 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.071 3.324 3.058 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.496 5.355 2.802 1.00 0.00 C ATOM 0 H LEU B 37 -1.666 6.686 0.393 1.00 0.00 H new ATOM 0 HA LEU B 37 0.280 5.088 1.613 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.290 4.668 0.133 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.256 3.269 0.346 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.972 3.410 2.080 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.494 3.183 4.053 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.827 2.353 2.626 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.165 3.926 3.131 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.899 5.173 3.798 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.628 6.010 2.876 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.258 5.830 2.184 1.00 0.00 H new ATOM 1864 N GLY B 38 0.259 4.946 -1.689 1.00 0.00 N ATOM 1865 CA GLY B 38 1.024 4.492 -2.836 1.00 0.00 C ATOM 1866 C GLY B 38 2.457 4.989 -2.830 1.00 0.00 C ATOM 1867 O GLY B 38 3.385 4.229 -3.111 1.00 0.00 O ATOM 0 H GLY B 38 -0.575 5.486 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.024 3.402 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.533 4.828 -3.749 1.00 0.00 H new ATOM 1871 N ASN B 39 2.640 6.260 -2.492 1.00 0.00 N ATOM 1872 CA ASN B 39 3.969 6.860 -2.480 1.00 0.00 C ATOM 1873 C ASN B 39 4.825 6.286 -1.357 1.00 0.00 C ATOM 1874 O ASN B 39 6.039 6.175 -1.492 1.00 0.00 O ATOM 1875 CB ASN B 39 3.882 8.385 -2.352 1.00 0.00 C ATOM 1876 CG ASN B 39 3.574 9.068 -3.676 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.479 9.415 -4.431 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.297 9.275 -3.965 1.00 0.00 N ATOM 0 H ASN B 39 1.887 6.894 -2.223 1.00 0.00 H new ATOM 0 HA ASN B 39 4.445 6.618 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.109 8.641 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.825 8.767 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.040 9.736 -4.838 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.572 8.974 -3.314 1.00 0.00 H new ATOM 1885 N CYS B 40 4.192 5.904 -0.256 1.00 0.00 N ATOM 1886 CA CYS B 40 4.913 5.316 0.869 1.00 0.00 C ATOM 1887 C CYS B 40 5.416 3.918 0.518 1.00 0.00 C ATOM 1888 O CYS B 40 6.479 3.501 0.980 1.00 0.00 O ATOM 1889 CB CYS B 40 4.014 5.248 2.105 1.00 0.00 C ATOM 1890 SG CYS B 40 3.384 6.850 2.646 1.00 0.00 S ATOM 0 H CYS B 40 3.185 5.989 -0.116 1.00 0.00 H new ATOM 0 HA CYS B 40 5.771 5.952 1.089 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.171 4.591 1.892 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.573 4.794 2.923 1.00 0.00 H new ATOM 0 HG CYS B 40 2.517 7.289 1.783 1.00 0.00 H new ATOM 1896 N VAL B 41 4.658 3.204 -0.303 1.00 0.00 N ATOM 1897 CA VAL B 41 5.045 1.864 -0.729 1.00 0.00 C ATOM 1898 C VAL B 41 6.277 1.928 -1.634 1.00 0.00 C ATOM 1899 O VAL B 41 7.251 1.201 -1.428 1.00 0.00 O ATOM 1900 CB VAL B 41 3.886 1.145 -1.458 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.287 -0.259 -1.894 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.652 1.084 -0.571 1.00 0.00 C ATOM 0 H VAL B 41 3.771 3.529 -0.688 1.00 0.00 H new ATOM 0 HA VAL B 41 5.288 1.289 0.165 1.00 0.00 H new ATOM 0 HB VAL B 41 3.652 1.723 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.449 -0.735 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.138 -0.200 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.562 -0.847 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.847 0.575 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.887 0.538 0.343 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.336 2.096 -0.318 1.00 0.00 H new ATOM 1912 N THR B 42 6.247 2.828 -2.611 1.00 0.00 N ATOM 1913 CA THR B 42 7.370 2.996 -3.525 1.00 0.00 C ATOM 1914 C THR B 42 8.570 3.599 -2.802 1.00 0.00 C ATOM 1915 O THR B 42 9.715 3.224 -3.055 1.00 0.00 O ATOM 1916 CB THR B 42 6.981 3.883 -4.718 1.00 0.00 C ATOM 1917 OG1 THR B 42 6.164 4.970 -4.264 1.00 0.00 O ATOM 1918 CG2 THR B 42 6.230 3.080 -5.769 1.00 0.00 C ATOM 0 H THR B 42 5.459 3.451 -2.790 1.00 0.00 H new ATOM 0 HA THR B 42 7.643 2.009 -3.899 1.00 0.00 H new ATOM 0 HB THR B 42 7.893 4.273 -5.170 1.00 0.00 H new ATOM 0 HG1 THR B 42 6.429 5.221 -3.354 1.00 0.00 H new ATOM 0 HG21 THR B 42 5.966 3.730 -6.603 1.00 0.00 H new ATOM 0 HG22 THR B 42 6.863 2.268 -6.128 1.00 0.00 H new ATOM 0 HG23 THR B 42 5.322 2.665 -5.330 1.00 0.00 H new ATOM 1926 N HIS B 43 8.287 4.519 -1.883 1.00 0.00 N ATOM 1927 CA HIS B 43 9.312 5.166 -1.064 1.00 0.00 C ATOM 1928 C HIS B 43 10.181 4.132 -0.340 1.00 0.00 C ATOM 1929 O HIS B 43 11.360 4.368 -0.086 1.00 0.00 O ATOM 1930 CB HIS B 43 8.632 6.139 -0.076 1.00 0.00 C ATOM 1931 CG HIS B 43 8.943 5.932 1.378 1.00 0.00 C ATOM 1932 ND1 HIS B 43 8.273 5.033 2.178 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.845 6.535 2.176 1.00 0.00 C ATOM 1934 CE1 HIS B 43 8.754 5.097 3.404 1.00 0.00 C ATOM 1935 NE2 HIS B 43 9.712 5.998 3.431 1.00 0.00 N ATOM 0 H HIS B 43 7.339 4.838 -1.684 1.00 0.00 H new ATOM 0 HA HIS B 43 9.982 5.735 -1.709 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.917 7.156 -0.346 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.553 6.064 -0.210 1.00 0.00 H new ATOM 0 HD1 HIS B 43 7.522 4.415 1.870 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.546 7.302 1.881 1.00 0.00 H new ATOM 0 HE1 HIS B 43 8.418 4.508 4.245 1.00 0.00 H new ATOM 1944 N LEU B 44 9.595 2.990 -0.016 1.00 0.00 N ATOM 1945 CA LEU B 44 10.331 1.918 0.637 1.00 0.00 C ATOM 1946 C LEU B 44 11.030 1.041 -0.394 1.00 0.00 C ATOM 1947 O LEU B 44 12.205 0.704 -0.243 1.00 0.00 O ATOM 1948 CB LEU B 44 9.389 1.078 1.500 1.00 0.00 C ATOM 1949 CG LEU B 44 8.934 1.748 2.798 1.00 0.00 C ATOM 1950 CD1 LEU B 44 7.803 0.960 3.438 1.00 0.00 C ATOM 1951 CD2 LEU B 44 10.104 1.871 3.764 1.00 0.00 C ATOM 0 H LEU B 44 8.613 2.781 -0.194 1.00 0.00 H new ATOM 0 HA LEU B 44 11.091 2.363 1.280 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.508 0.826 0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.886 0.140 1.747 1.00 0.00 H new ATOM 0 HG LEU B 44 8.567 2.747 2.562 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.493 1.452 4.360 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.958 0.912 2.751 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.145 -0.050 3.663 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.768 2.349 4.684 1.00 0.00 H new ATOM 0 HD22 LEU B 44 10.493 0.879 3.992 1.00 0.00 H new ATOM 0 HD23 LEU B 44 10.890 2.473 3.308 1.00 0.00 H new ATOM 1963 N LEU B 45 10.307 0.700 -1.453 1.00 0.00 N ATOM 1964 CA LEU B 45 10.830 -0.169 -2.502 1.00 0.00 C ATOM 1965 C LEU B 45 12.044 0.435 -3.200 1.00 0.00 C ATOM 1966 O LEU B 45 12.959 -0.287 -3.582 1.00 0.00 O ATOM 1967 CB LEU B 45 9.744 -0.474 -3.535 1.00 0.00 C ATOM 1968 CG LEU B 45 8.732 -1.542 -3.118 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.620 -1.654 -4.148 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.428 -2.884 -2.939 1.00 0.00 C ATOM 0 H LEU B 45 9.349 1.014 -1.610 1.00 0.00 H new ATOM 0 HA LEU B 45 11.148 -1.093 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.206 0.448 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.224 -0.792 -4.460 1.00 0.00 H new ATOM 0 HG LEU B 45 8.289 -1.248 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU B 45 6.909 -2.419 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.107 -0.696 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.045 -1.928 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.697 -3.636 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.893 -3.181 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.193 -2.797 -2.167 1.00 0.00 H new ATOM 1982 N GLU B 46 12.058 1.751 -3.369 1.00 0.00 N ATOM 1983 CA GLU B 46 13.136 2.403 -4.102 1.00 0.00 C ATOM 1984 C GLU B 46 14.348 2.698 -3.218 1.00 0.00 C ATOM 1985 O GLU B 46 15.486 2.558 -3.662 1.00 0.00 O ATOM 1986 CB GLU B 46 12.648 3.696 -4.749 1.00 0.00 C ATOM 1987 CG GLU B 46 11.558 3.498 -5.787 1.00 0.00 C ATOM 1988 CD GLU B 46 11.240 4.780 -6.529 1.00 0.00 C ATOM 1989 OE1 GLU B 46 10.438 5.585 -6.018 1.00 0.00 O ATOM 1990 OE2 GLU B 46 11.813 4.997 -7.619 1.00 0.00 O ATOM 0 H GLU B 46 11.342 2.384 -3.012 1.00 0.00 H new ATOM 0 HA GLU B 46 13.450 1.704 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.276 4.361 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.495 4.197 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU B 46 11.871 2.735 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.656 3.128 -5.299 1.00 0.00 H new ATOM 1997 N ARG B 47 14.112 3.094 -1.970 1.00 0.00 N ATOM 1998 CA ARG B 47 15.206 3.503 -1.094 1.00 0.00 C ATOM 1999 C ARG B 47 15.834 2.310 -0.393 1.00 0.00 C ATOM 2000 O ARG B 47 17.051 2.248 -0.218 1.00 0.00 O ATOM 2001 CB ARG B 47 14.739 4.509 -0.034 1.00 0.00 C ATOM 2002 CG ARG B 47 14.762 5.969 -0.473 1.00 0.00 C ATOM 2003 CD ARG B 47 13.590 6.327 -1.369 1.00 0.00 C ATOM 2004 NE ARG B 47 13.956 6.393 -2.782 1.00 0.00 N ATOM 2005 CZ ARG B 47 13.139 6.841 -3.732 1.00 0.00 C ATOM 2006 NH1 ARG B 47 11.917 7.256 -3.417 1.00 0.00 N ATOM 2007 NH2 ARG B 47 13.545 6.885 -4.997 1.00 0.00 N ATOM 0 H ARG B 47 13.185 3.140 -1.547 1.00 0.00 H new ATOM 0 HA ARG B 47 15.949 3.978 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.723 4.252 0.266 1.00 0.00 H new ATOM 0 HB3 ARG B 47 15.369 4.401 0.849 1.00 0.00 H new ATOM 0 HG2 ARG B 47 14.750 6.610 0.409 1.00 0.00 H new ATOM 0 HG3 ARG B 47 15.694 6.171 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG B 47 12.799 5.588 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG B 47 13.182 7.289 -1.059 1.00 0.00 H new ATOM 0 HE ARG B 47 14.887 6.079 -3.055 1.00 0.00 H new ATOM 0 HH11 ARG B 47 11.604 7.231 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG B 47 11.291 7.599 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG B 47 14.485 6.575 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG B 47 12.916 7.229 -5.723 1.00 0.00 H new ATOM 2021 N LYS B 48 15.007 1.363 0.020 1.00 0.00 N ATOM 2022 CA LYS B 48 15.489 0.260 0.829 1.00 0.00 C ATOM 2023 C LYS B 48 15.748 -0.986 -0.010 1.00 0.00 C ATOM 2024 O LYS B 48 16.714 -1.710 0.229 1.00 0.00 O ATOM 2025 CB LYS B 48 14.494 -0.052 1.951 1.00 0.00 C ATOM 2026 CG LYS B 48 14.275 1.096 2.937 1.00 0.00 C ATOM 2027 CD LYS B 48 15.441 1.269 3.910 1.00 0.00 C ATOM 2028 CE LYS B 48 16.668 1.885 3.251 1.00 0.00 C ATOM 2029 NZ LYS B 48 17.800 2.024 4.208 1.00 0.00 N ATOM 0 H LYS B 48 14.009 1.337 -0.190 1.00 0.00 H new ATOM 0 HA LYS B 48 16.439 0.565 1.268 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.536 -0.321 1.506 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.846 -0.925 2.501 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.130 2.023 2.382 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.360 0.915 3.501 1.00 0.00 H new ATOM 0 HD2 LYS B 48 15.125 1.899 4.741 1.00 0.00 H new ATOM 0 HD3 LYS B 48 15.707 0.298 4.329 1.00 0.00 H new ATOM 0 HE2 LYS B 48 16.978 1.265 2.409 1.00 0.00 H new ATOM 0 HE3 LYS B 48 16.411 2.865 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 18.616 2.447 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 17.513 2.636 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 18.063 1.086 4.573 1.00 0.00 H new ATOM 2043 N VAL B 49 14.898 -1.223 -0.995 1.00 0.00 N ATOM 2044 CA VAL B 49 14.989 -2.434 -1.799 1.00 0.00 C ATOM 2045 C VAL B 49 15.766 -2.177 -3.094 1.00 0.00 C ATOM 2046 O VAL B 49 15.517 -1.193 -3.793 1.00 0.00 O ATOM 2047 CB VAL B 49 13.581 -2.980 -2.135 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.667 -4.326 -2.837 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.738 -3.091 -0.875 1.00 0.00 C ATOM 0 H VAL B 49 14.138 -0.596 -1.258 1.00 0.00 H new ATOM 0 HA VAL B 49 15.525 -3.179 -1.211 1.00 0.00 H new ATOM 0 HB VAL B 49 13.102 -2.276 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.662 -4.685 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.228 -4.217 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.172 -5.043 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.751 -3.477 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.222 -3.769 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.636 -2.107 -0.418 1.00 0.00 H new ATOM 2059 N PRO B 50 16.744 -3.042 -3.415 1.00 0.00 N ATOM 2060 CA PRO B 50 17.495 -2.965 -4.675 1.00 0.00 C ATOM 2061 C PRO B 50 16.594 -3.232 -5.879 1.00 0.00 C ATOM 2062 O PRO B 50 15.631 -3.979 -5.772 1.00 0.00 O ATOM 2063 CB PRO B 50 18.556 -4.064 -4.537 1.00 0.00 C ATOM 2064 CG PRO B 50 18.587 -4.407 -3.086 1.00 0.00 C ATOM 2065 CD PRO B 50 17.202 -4.154 -2.573 1.00 0.00 C ATOM 0 HA PRO B 50 17.924 -1.977 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.300 -4.935 -5.141 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.530 -3.714 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.874 -5.448 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.317 -3.796 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.564 -5.032 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.204 -3.887 -1.516 1.00 0.00 H new ATOM 2073 N SER B 51 16.927 -2.632 -7.018 1.00 0.00 N ATOM 2074 CA SER B 51 16.064 -2.627 -8.203 1.00 0.00 C ATOM 2075 C SER B 51 15.636 -4.031 -8.659 1.00 0.00 C ATOM 2076 O SER B 51 14.486 -4.235 -9.049 1.00 0.00 O ATOM 2077 CB SER B 51 16.781 -1.918 -9.343 1.00 0.00 C ATOM 2078 OG SER B 51 17.423 -0.745 -8.877 1.00 0.00 O ATOM 0 H SER B 51 17.806 -2.132 -7.149 1.00 0.00 H new ATOM 0 HA SER B 51 15.151 -2.100 -7.926 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.516 -2.588 -9.790 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.066 -1.661 -10.125 1.00 0.00 H new ATOM 0 HG SER B 51 17.880 -0.304 -9.623 1.00 0.00 H new ATOM 2084 N GLU B 52 16.555 -4.987 -8.608 1.00 0.00 N ATOM 2085 CA GLU B 52 16.260 -6.353 -9.052 1.00 0.00 C ATOM 2086 C GLU B 52 15.232 -6.987 -8.133 1.00 0.00 C ATOM 2087 O GLU B 52 14.208 -7.511 -8.578 1.00 0.00 O ATOM 2088 CB GLU B 52 17.519 -7.238 -9.079 1.00 0.00 C ATOM 2089 CG GLU B 52 18.837 -6.495 -8.912 1.00 0.00 C ATOM 2090 CD GLU B 52 19.023 -5.925 -7.519 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.298 -6.355 -6.594 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.877 -5.028 -7.361 1.00 0.00 O ATOM 0 H GLU B 52 17.506 -4.848 -8.267 1.00 0.00 H new ATOM 0 HA GLU B 52 15.870 -6.283 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU B 52 17.437 -7.983 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.543 -7.780 -10.025 1.00 0.00 H new ATOM 0 HG2 GLU B 52 19.661 -7.173 -9.134 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.886 -5.685 -9.640 1.00 0.00 H new ATOM 2099 N SER B 53 15.499 -6.898 -6.839 1.00 0.00 N ATOM 2100 CA SER B 53 14.616 -7.454 -5.833 1.00 0.00 C ATOM 2101 C SER B 53 13.329 -6.627 -5.754 1.00 0.00 C ATOM 2102 O SER B 53 12.275 -7.125 -5.367 1.00 0.00 O ATOM 2103 CB SER B 53 15.334 -7.465 -4.480 1.00 0.00 C ATOM 2104 OG SER B 53 16.633 -8.021 -4.600 1.00 0.00 O ATOM 0 H SER B 53 16.329 -6.441 -6.461 1.00 0.00 H new ATOM 0 HA SER B 53 14.351 -8.476 -6.102 1.00 0.00 H new ATOM 0 HB2 SER B 53 15.404 -6.449 -4.093 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.753 -8.041 -3.760 1.00 0.00 H new ATOM 0 HG SER B 53 17.073 -8.016 -3.724 1.00 0.00 H new ATOM 2110 N ARG B 54 13.446 -5.366 -6.147 1.00 0.00 N ATOM 2111 CA ARG B 54 12.331 -4.426 -6.179 1.00 0.00 C ATOM 2112 C ARG B 54 11.205 -4.952 -7.059 1.00 0.00 C ATOM 2113 O ARG B 54 10.038 -4.902 -6.679 1.00 0.00 O ATOM 2114 CB ARG B 54 12.850 -3.085 -6.704 1.00 0.00 C ATOM 2115 CG ARG B 54 11.891 -1.916 -6.582 1.00 0.00 C ATOM 2116 CD ARG B 54 12.571 -0.631 -7.038 1.00 0.00 C ATOM 2117 NE ARG B 54 13.778 -0.354 -6.260 1.00 0.00 N ATOM 2118 CZ ARG B 54 14.820 0.345 -6.709 1.00 0.00 C ATOM 2119 NH1 ARG B 54 14.797 0.887 -7.920 1.00 0.00 N ATOM 2120 NH2 ARG B 54 15.882 0.512 -5.935 1.00 0.00 N ATOM 0 H ARG B 54 14.329 -4.961 -6.457 1.00 0.00 H new ATOM 0 HA ARG B 54 11.925 -4.299 -5.176 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.767 -2.837 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.116 -3.205 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.002 -2.100 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.559 -1.814 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG B 54 12.829 -0.710 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG B 54 11.876 0.203 -6.941 1.00 0.00 H new ATOM 0 HE ARG B 54 13.825 -0.721 -5.309 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.977 0.770 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.599 1.420 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.900 0.106 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.682 1.046 -6.275 1.00 0.00 H new ATOM 2134 N GLN B 55 11.565 -5.475 -8.229 1.00 0.00 N ATOM 2135 CA GLN B 55 10.584 -6.048 -9.142 1.00 0.00 C ATOM 2136 C GLN B 55 9.948 -7.295 -8.537 1.00 0.00 C ATOM 2137 O GLN B 55 8.735 -7.492 -8.621 1.00 0.00 O ATOM 2138 CB GLN B 55 11.220 -6.410 -10.486 1.00 0.00 C ATOM 2139 CG GLN B 55 11.750 -5.219 -11.272 1.00 0.00 C ATOM 2140 CD GLN B 55 12.196 -5.596 -12.675 1.00 0.00 C ATOM 2141 OE1 GLN B 55 12.642 -6.834 -12.852 1.00 0.00 O flip ATOM 2142 NE2 GLN B 55 12.128 -4.787 -13.599 1.00 0.00 N flip ATOM 0 H GLN B 55 12.527 -5.513 -8.565 1.00 0.00 H new ATOM 0 HA GLN B 55 9.816 -5.292 -9.308 1.00 0.00 H new ATOM 0 HB2 GLN B 55 12.039 -7.107 -10.310 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.482 -6.932 -11.095 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.975 -4.455 -11.334 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.589 -4.778 -10.734 1.00 0.00 H new ATOM 0 HE21 GLN B 55 11.780 -3.844 -13.426 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.419 -5.059 -14.538 1.00 0.00 H new ATOM 2151 N ALA B 56 10.778 -8.132 -7.923 1.00 0.00 N ATOM 2152 CA ALA B 56 10.319 -9.387 -7.343 1.00 0.00 C ATOM 2153 C ALA B 56 9.336 -9.139 -6.205 1.00 0.00 C ATOM 2154 O ALA B 56 8.280 -9.771 -6.134 1.00 0.00 O ATOM 2155 CB ALA B 56 11.502 -10.207 -6.857 1.00 0.00 C ATOM 0 H ALA B 56 11.778 -7.961 -7.814 1.00 0.00 H new ATOM 0 HA ALA B 56 9.798 -9.949 -8.118 1.00 0.00 H new ATOM 0 HB1 ALA B 56 11.144 -11.142 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA B 56 12.164 -10.424 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA B 56 12.048 -9.644 -6.100 1.00 0.00 H new ATOM 2161 N VAL B 57 9.680 -8.204 -5.327 1.00 0.00 N ATOM 2162 CA VAL B 57 8.819 -7.859 -4.206 1.00 0.00 C ATOM 2163 C VAL B 57 7.534 -7.204 -4.701 1.00 0.00 C ATOM 2164 O VAL B 57 6.450 -7.506 -4.208 1.00 0.00 O ATOM 2165 CB VAL B 57 9.529 -6.920 -3.205 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.602 -6.543 -2.059 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.793 -7.572 -2.666 1.00 0.00 C ATOM 0 H VAL B 57 10.549 -7.672 -5.371 1.00 0.00 H new ATOM 0 HA VAL B 57 8.577 -8.787 -3.687 1.00 0.00 H new ATOM 0 HB VAL B 57 9.804 -6.009 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.127 -5.882 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.724 -6.032 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.291 -7.444 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.280 -6.896 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.535 -8.501 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.472 -7.787 -3.491 1.00 0.00 H new ATOM 2177 N ALA B 58 7.661 -6.332 -5.697 1.00 0.00 N ATOM 2178 CA ALA B 58 6.512 -5.617 -6.248 1.00 0.00 C ATOM 2179 C ALA B 58 5.451 -6.575 -6.781 1.00 0.00 C ATOM 2180 O ALA B 58 4.264 -6.410 -6.506 1.00 0.00 O ATOM 2181 CB ALA B 58 6.957 -4.663 -7.347 1.00 0.00 C ATOM 0 H ALA B 58 8.550 -6.102 -6.141 1.00 0.00 H new ATOM 0 HA ALA B 58 6.064 -5.044 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.089 -4.138 -7.747 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.662 -3.939 -6.937 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.439 -5.227 -8.145 1.00 0.00 H new ATOM 2187 N GLU B 59 5.878 -7.583 -7.534 1.00 0.00 N ATOM 2188 CA GLU B 59 4.937 -8.529 -8.125 1.00 0.00 C ATOM 2189 C GLU B 59 4.321 -9.432 -7.059 1.00 0.00 C ATOM 2190 O GLU B 59 3.136 -9.755 -7.125 1.00 0.00 O ATOM 2191 CB GLU B 59 5.609 -9.361 -9.221 1.00 0.00 C ATOM 2192 CG GLU B 59 6.150 -8.515 -10.363 1.00 0.00 C ATOM 2193 CD GLU B 59 6.309 -9.290 -11.655 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.307 -9.437 -12.390 1.00 0.00 O ATOM 2195 OE2 GLU B 59 7.435 -9.741 -11.951 1.00 0.00 O ATOM 0 H GLU B 59 6.858 -7.766 -7.748 1.00 0.00 H new ATOM 0 HA GLU B 59 4.133 -7.954 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.425 -9.936 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU B 59 4.890 -10.079 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU B 59 5.479 -7.673 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU B 59 7.116 -8.101 -10.074 1.00 0.00 H new ATOM 2202 N GLN B 60 5.116 -9.816 -6.067 1.00 0.00 N ATOM 2203 CA GLN B 60 4.608 -10.624 -4.960 1.00 0.00 C ATOM 2204 C GLN B 60 3.629 -9.803 -4.122 1.00 0.00 C ATOM 2205 O GLN B 60 2.596 -10.305 -3.673 1.00 0.00 O ATOM 2206 CB GLN B 60 5.759 -11.131 -4.089 1.00 0.00 C ATOM 2207 CG GLN B 60 5.303 -12.000 -2.926 1.00 0.00 C ATOM 2208 CD GLN B 60 6.453 -12.489 -2.068 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.516 -11.701 -1.987 1.00 0.00 O flip ATOM 2210 NE2 GLN B 60 6.388 -13.564 -1.478 1.00 0.00 N flip ATOM 0 H GLN B 60 6.107 -9.584 -6.004 1.00 0.00 H new ATOM 0 HA GLN B 60 4.085 -11.488 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.450 -11.702 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN B 60 6.312 -10.277 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN B 60 4.609 -11.433 -2.306 1.00 0.00 H new ATOM 0 HG3 GLN B 60 4.755 -12.859 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN B 60 5.553 -14.144 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN B 60 7.169 -13.877 -0.901 1.00 0.00 H new ATOM 2219 N PHE B 61 3.965 -8.533 -3.929 1.00 0.00 N ATOM 2220 CA PHE B 61 3.105 -7.600 -3.217 1.00 0.00 C ATOM 2221 C PHE B 61 1.782 -7.440 -3.953 1.00 0.00 C ATOM 2222 O PHE B 61 0.713 -7.493 -3.343 1.00 0.00 O ATOM 2223 CB PHE B 61 3.804 -6.244 -3.082 1.00 0.00 C ATOM 2224 CG PHE B 61 2.989 -5.202 -2.371 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.923 -5.182 -0.990 1.00 0.00 C ATOM 2226 CD2 PHE B 61 2.289 -4.243 -3.087 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.175 -4.225 -0.334 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.540 -3.284 -2.437 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.481 -3.275 -1.058 1.00 0.00 C ATOM 0 H PHE B 61 4.838 -8.124 -4.261 1.00 0.00 H new ATOM 0 HA PHE B 61 2.904 -7.993 -2.221 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.743 -6.383 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE B 61 4.056 -5.876 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.462 -5.923 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.331 -4.247 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.132 -4.219 0.745 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.001 -2.541 -3.006 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.894 -2.527 -0.546 1.00 0.00 H new ATOM 2239 N ALA B 62 1.868 -7.254 -5.266 1.00 0.00 N ATOM 2240 CA ALA B 62 0.688 -7.124 -6.110 1.00 0.00 C ATOM 2241 C ALA B 62 -0.211 -8.348 -5.978 1.00 0.00 C ATOM 2242 O ALA B 62 -1.435 -8.227 -5.916 1.00 0.00 O ATOM 2243 CB ALA B 62 1.093 -6.918 -7.561 1.00 0.00 C ATOM 0 H ALA B 62 2.752 -7.190 -5.771 1.00 0.00 H new ATOM 0 HA ALA B 62 0.126 -6.251 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.200 -6.823 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.691 -6.011 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.679 -7.772 -7.900 1.00 0.00 H new ATOM 2249 N LYS B 63 0.410 -9.523 -5.926 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.320 -10.770 -5.734 1.00 0.00 C ATOM 2251 C LYS B 63 -1.078 -10.758 -4.416 1.00 0.00 C ATOM 2252 O LYS B 63 -2.294 -10.914 -4.397 1.00 0.00 O ATOM 2253 CB LYS B 63 0.630 -11.968 -5.774 1.00 0.00 C ATOM 2254 CG LYS B 63 1.100 -12.326 -7.169 1.00 0.00 C ATOM 2255 CD LYS B 63 -0.063 -12.759 -8.045 1.00 0.00 C ATOM 2256 CE LYS B 63 0.406 -13.194 -9.421 1.00 0.00 C ATOM 2257 NZ LYS B 63 1.378 -14.315 -9.347 1.00 0.00 N ATOM 0 H LYS B 63 1.420 -9.637 -6.015 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.037 -10.862 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.499 -11.753 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.130 -12.832 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.598 -11.468 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.836 -13.128 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -0.595 -13.580 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -0.771 -11.936 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -0.454 -13.498 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS B 63 0.866 -12.348 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 1.455 -14.770 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 2.309 -13.949 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.052 -15.012 -8.647 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.354 -10.556 -3.319 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.955 -10.553 -1.990 1.00 0.00 C ATOM 2273 C ALA B 64 -2.073 -9.519 -1.891 1.00 0.00 C ATOM 2274 O ALA B 64 -3.119 -9.774 -1.297 1.00 0.00 O ATOM 2275 CB ALA B 64 0.105 -10.288 -0.931 1.00 0.00 C ATOM 0 H ALA B 64 0.653 -10.392 -3.325 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.391 -11.537 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.358 -10.289 0.056 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.866 -11.067 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.568 -9.318 -1.114 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.843 -8.363 -2.494 1.00 0.00 N ATOM 2282 CA LEU B 65 -2.808 -7.275 -2.486 1.00 0.00 C ATOM 2283 C LEU B 65 -4.081 -7.680 -3.230 1.00 0.00 C ATOM 2284 O LEU B 65 -5.167 -7.774 -2.645 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.192 -6.056 -3.169 1.00 0.00 C ATOM 2286 CG LEU B 65 -2.845 -4.710 -2.857 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.425 -4.222 -1.480 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.481 -3.685 -3.918 1.00 0.00 C ATOM 0 H LEU B 65 -0.984 -8.153 -3.002 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.066 -7.039 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.140 -6.000 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.227 -6.213 -4.247 1.00 0.00 H new ATOM 0 HG LEU B 65 -3.927 -4.842 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -2.899 -3.262 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -2.733 -4.948 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.342 -4.105 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -2.954 -2.732 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.399 -3.556 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.829 -4.030 -4.892 1.00 0.00 H new ATOM 2300 N ALA B 66 -3.927 -7.954 -4.520 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.058 -8.225 -5.394 1.00 0.00 C ATOM 2302 C ALA B 66 -5.765 -9.520 -5.020 1.00 0.00 C ATOM 2303 O ALA B 66 -6.980 -9.633 -5.179 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.605 -8.270 -6.843 1.00 0.00 C ATOM 0 H ALA B 66 -3.020 -7.994 -4.986 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.773 -7.412 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.461 -8.474 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.166 -7.311 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.862 -9.058 -6.968 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.009 -10.492 -4.519 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.580 -11.778 -4.144 1.00 0.00 C ATOM 2312 C GLN B 67 -6.445 -11.633 -2.900 1.00 0.00 C ATOM 2313 O GLN B 67 -7.476 -12.297 -2.773 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.478 -12.812 -3.902 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.973 -14.248 -3.952 1.00 0.00 C ATOM 2316 CD GLN B 67 -5.612 -14.585 -5.285 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -6.824 -14.446 -5.461 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -4.804 -15.028 -6.231 1.00 0.00 N ATOM 0 H GLN B 67 -4.004 -10.413 -4.364 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.204 -12.125 -4.968 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.696 -12.679 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -4.024 -12.626 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -4.139 -14.925 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.696 -14.410 -3.153 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.806 -15.128 -6.044 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -5.178 -15.270 -7.149 1.00 0.00 H new ATOM 2327 N SER B 68 -6.041 -10.746 -1.994 1.00 0.00 N ATOM 2328 CA SER B 68 -6.830 -10.485 -0.797 1.00 0.00 C ATOM 2329 C SER B 68 -8.168 -9.870 -1.186 1.00 0.00 C ATOM 2330 O SER B 68 -9.206 -10.195 -0.610 1.00 0.00 O ATOM 2331 CB SER B 68 -6.075 -9.561 0.161 1.00 0.00 C ATOM 2332 OG SER B 68 -4.870 -10.167 0.600 1.00 0.00 O ATOM 0 H SER B 68 -5.181 -10.202 -2.066 1.00 0.00 H new ATOM 0 HA SER B 68 -7.008 -11.430 -0.283 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.852 -8.617 -0.337 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.704 -9.328 1.020 1.00 0.00 H new ATOM 0 HG SER B 68 -4.149 -9.953 -0.028 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.134 -8.999 -2.187 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.351 -8.391 -2.709 1.00 0.00 C ATOM 2340 C VAL B 69 -10.208 -9.426 -3.443 1.00 0.00 C ATOM 2341 O VAL B 69 -11.429 -9.456 -3.288 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.030 -7.222 -3.662 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.307 -6.572 -4.168 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.147 -6.193 -2.975 1.00 0.00 C ATOM 0 H VAL B 69 -7.278 -8.698 -2.653 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.909 -8.004 -1.856 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.487 -7.624 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.056 -5.750 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -10.903 -7.310 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -10.880 -6.189 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.933 -5.378 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.661 -5.800 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.212 -6.663 -2.668 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.562 -10.281 -4.233 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.273 -11.310 -4.992 1.00 0.00 C ATOM 2356 C LYS B 70 -10.987 -12.286 -4.060 1.00 0.00 C ATOM 2357 O LYS B 70 -12.146 -12.635 -4.288 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.316 -12.078 -5.912 1.00 0.00 C ATOM 2359 CG LYS B 70 -8.799 -11.255 -7.085 1.00 0.00 C ATOM 2360 CD LYS B 70 -7.953 -12.097 -8.033 1.00 0.00 C ATOM 2361 CE LYS B 70 -7.469 -11.287 -9.232 1.00 0.00 C ATOM 2362 NZ LYS B 70 -6.475 -10.252 -8.842 1.00 0.00 N ATOM 0 H LYS B 70 -8.551 -10.283 -4.365 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.018 -10.804 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.468 -12.431 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.827 -12.961 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.641 -10.828 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.206 -10.421 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.094 -12.498 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.537 -12.949 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.024 -11.958 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -8.321 -10.808 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -6.745 -9.338 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -6.450 -10.168 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -5.534 -10.526 -9.190 1.00 0.00 H new ATOM 2376 N SER B 71 -10.296 -12.713 -3.008 1.00 0.00 N ATOM 2377 CA SER B 71 -10.865 -13.639 -2.037 1.00 0.00 C ATOM 2378 C SER B 71 -11.964 -12.959 -1.220 1.00 0.00 C ATOM 2379 O SER B 71 -12.902 -13.611 -0.759 1.00 0.00 O ATOM 2380 CB SER B 71 -9.766 -14.178 -1.114 1.00 0.00 C ATOM 2381 OG SER B 71 -10.283 -15.112 -0.180 1.00 0.00 O ATOM 0 H SER B 71 -9.337 -12.431 -2.806 1.00 0.00 H new ATOM 0 HA SER B 71 -11.311 -14.475 -2.576 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.988 -14.652 -1.712 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.298 -13.350 -0.581 1.00 0.00 H new ATOM 0 HG SER B 71 -9.557 -15.438 0.392 1.00 0.00 H new