USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN : amide:sc= -0.248 K(o=0.39,f=-2.3!) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0.637 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.07! C(o=-2.1!,f=-6.3!) USER MOD Single : A 9 GLN : amide:sc=-0.00561 K(o=-0.0056,f=-1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.579 K(o=-0.58,f=-4.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= 0.182 (180deg=0.0495) USER MOD Single : A 45 ASN : amide:sc=-0.00901 K(o=-0.009,f=-0.86) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -4.45! C(o=-4.4!,f=-12!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00719 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0783 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.969 -17.690 9.975 1.00 0.00 N ATOM 2 CA GLY A 1 5.361 -17.323 9.795 1.00 0.00 C ATOM 3 C GLY A 1 5.656 -15.915 10.272 1.00 0.00 C ATOM 4 O GLY A 1 5.845 -15.684 11.467 1.00 0.00 O ATOM 0 H1 GLY A 1 3.819 -18.661 9.634 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.723 -17.636 10.984 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.365 -17.037 9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.992 -18.027 10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.622 -17.408 8.740 1.00 0.00 H new ATOM 8 N SER A 2 5.697 -14.971 9.338 1.00 0.00 N ATOM 9 CA SER A 2 5.976 -13.579 9.669 1.00 0.00 C ATOM 10 C SER A 2 5.302 -13.186 10.980 1.00 0.00 C ATOM 11 O SER A 2 5.962 -12.749 11.923 1.00 0.00 O ATOM 12 CB SER A 2 5.500 -12.659 8.543 1.00 0.00 C ATOM 13 OG SER A 2 6.160 -11.406 8.594 1.00 0.00 O ATOM 0 H SER A 2 5.540 -15.145 8.345 1.00 0.00 H new ATOM 0 HA SER A 2 7.054 -13.469 9.787 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.686 -13.133 7.579 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.423 -12.510 8.622 1.00 0.00 H new ATOM 0 HG SER A 2 5.839 -10.837 7.863 1.00 0.00 H new ATOM 19 N SER A 3 3.984 -13.346 11.032 1.00 0.00 N ATOM 20 CA SER A 3 3.219 -13.006 12.226 1.00 0.00 C ATOM 21 C SER A 3 3.562 -11.600 12.708 1.00 0.00 C ATOM 22 O SER A 3 3.709 -11.361 13.906 1.00 0.00 O ATOM 23 CB SER A 3 3.492 -14.020 13.338 1.00 0.00 C ATOM 24 OG SER A 3 2.384 -14.123 14.217 1.00 0.00 O ATOM 0 H SER A 3 3.423 -13.709 10.261 1.00 0.00 H new ATOM 0 HA SER A 3 2.160 -13.035 11.970 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.705 -14.995 12.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.378 -13.721 13.898 1.00 0.00 H new ATOM 0 HG SER A 3 2.582 -14.778 14.918 1.00 0.00 H new ATOM 30 N GLY A 4 3.688 -10.671 11.764 1.00 0.00 N ATOM 31 CA GLY A 4 4.012 -9.300 12.111 1.00 0.00 C ATOM 32 C GLY A 4 5.491 -9.105 12.383 1.00 0.00 C ATOM 33 O GLY A 4 6.203 -10.060 12.694 1.00 0.00 O ATOM 0 H GLY A 4 3.571 -10.844 10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.705 -8.641 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.442 -9.007 12.993 1.00 0.00 H new ATOM 37 N SER A 5 5.954 -7.865 12.264 1.00 0.00 N ATOM 38 CA SER A 5 7.359 -7.549 12.494 1.00 0.00 C ATOM 39 C SER A 5 7.517 -6.129 13.027 1.00 0.00 C ATOM 40 O SER A 5 6.547 -5.375 13.113 1.00 0.00 O ATOM 41 CB SER A 5 8.159 -7.711 11.199 1.00 0.00 C ATOM 42 OG SER A 5 9.509 -8.045 11.472 1.00 0.00 O ATOM 0 H SER A 5 5.377 -7.063 12.010 1.00 0.00 H new ATOM 0 HA SER A 5 7.744 -8.244 13.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.706 -8.488 10.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.119 -6.785 10.625 1.00 0.00 H new ATOM 0 HG SER A 5 9.998 -8.145 10.629 1.00 0.00 H new ATOM 48 N SER A 6 8.746 -5.770 13.385 1.00 0.00 N ATOM 49 CA SER A 6 9.031 -4.442 13.914 1.00 0.00 C ATOM 50 C SER A 6 9.339 -3.462 12.786 1.00 0.00 C ATOM 51 O SER A 6 9.378 -3.838 11.615 1.00 0.00 O ATOM 52 CB SER A 6 10.208 -4.500 14.889 1.00 0.00 C ATOM 53 OG SER A 6 9.795 -4.976 16.159 1.00 0.00 O ATOM 0 H SER A 6 9.560 -6.381 13.318 1.00 0.00 H new ATOM 0 HA SER A 6 8.145 -4.092 14.444 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.985 -5.151 14.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.647 -3.508 14.994 1.00 0.00 H new ATOM 0 HG SER A 6 10.566 -5.005 16.764 1.00 0.00 H new ATOM 59 N GLY A 7 9.557 -2.201 13.148 1.00 0.00 N ATOM 60 CA GLY A 7 9.859 -1.186 12.156 1.00 0.00 C ATOM 61 C GLY A 7 9.965 0.200 12.759 1.00 0.00 C ATOM 62 O GLY A 7 9.146 0.587 13.590 1.00 0.00 O ATOM 0 H GLY A 7 9.530 -1.865 14.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.797 -1.435 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.083 -1.188 11.391 1.00 0.00 H new ATOM 66 N ASN A 8 10.980 0.950 12.340 1.00 0.00 N ATOM 67 CA ASN A 8 11.193 2.301 12.847 1.00 0.00 C ATOM 68 C ASN A 8 10.089 3.240 12.370 1.00 0.00 C ATOM 69 O ASN A 8 9.458 3.929 13.171 1.00 0.00 O ATOM 70 CB ASN A 8 12.557 2.828 12.397 1.00 0.00 C ATOM 71 CG ASN A 8 12.768 4.281 12.776 1.00 0.00 C ATOM 72 OD1 ASN A 8 11.813 5.046 12.907 1.00 0.00 O ATOM 73 ND2 ASN A 8 14.026 4.669 12.953 1.00 0.00 N ATOM 0 H ASN A 8 11.667 0.645 11.651 1.00 0.00 H new ATOM 0 HA ASN A 8 11.168 2.263 13.936 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.344 2.221 12.844 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.647 2.720 11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.231 5.635 13.208 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.787 4.001 12.834 1.00 0.00 H new ATOM 80 N GLN A 9 9.863 3.261 11.060 1.00 0.00 N ATOM 81 CA GLN A 9 8.835 4.116 10.477 1.00 0.00 C ATOM 82 C GLN A 9 7.962 3.332 9.503 1.00 0.00 C ATOM 83 O GLN A 9 7.602 3.830 8.436 1.00 0.00 O ATOM 84 CB GLN A 9 9.478 5.305 9.760 1.00 0.00 C ATOM 85 CG GLN A 9 10.447 4.901 8.661 1.00 0.00 C ATOM 86 CD GLN A 9 11.388 6.025 8.271 1.00 0.00 C ATOM 87 OE1 GLN A 9 11.232 7.163 8.714 1.00 0.00 O ATOM 88 NE2 GLN A 9 12.372 5.710 7.437 1.00 0.00 N ATOM 0 H GLN A 9 10.377 2.697 10.383 1.00 0.00 H new ATOM 0 HA GLN A 9 8.204 4.485 11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.693 5.927 9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.006 5.917 10.491 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.031 4.043 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.884 4.583 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.464 4.754 7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.036 6.424 7.139 1.00 0.00 H new ATOM 97 N LEU A 10 7.626 2.102 9.877 1.00 0.00 N ATOM 98 CA LEU A 10 6.795 1.247 9.037 1.00 0.00 C ATOM 99 C LEU A 10 5.336 1.298 9.482 1.00 0.00 C ATOM 100 O LEU A 10 5.039 1.626 10.631 1.00 0.00 O ATOM 101 CB LEU A 10 7.303 -0.195 9.081 1.00 0.00 C ATOM 102 CG LEU A 10 8.401 -0.550 8.077 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.272 -1.675 8.615 1.00 0.00 C ATOM 104 CD2 LEU A 10 7.793 -0.938 6.737 1.00 0.00 C ATOM 0 H LEU A 10 7.916 1.675 10.756 1.00 0.00 H new ATOM 0 HA LEU A 10 6.857 1.616 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.677 -0.397 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.457 -0.862 8.916 1.00 0.00 H new ATOM 0 HG LEU A 10 9.029 0.329 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.048 -1.914 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.736 -1.361 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.657 -2.557 8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.589 -1.187 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.142 -1.802 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.212 -0.103 6.345 1.00 0.00 H new ATOM 116 N TRP A 11 4.432 0.970 8.566 1.00 0.00 N ATOM 117 CA TRP A 11 3.005 0.976 8.865 1.00 0.00 C ATOM 118 C TRP A 11 2.716 0.223 10.159 1.00 0.00 C ATOM 119 O TRP A 11 3.604 -0.410 10.732 1.00 0.00 O ATOM 120 CB TRP A 11 2.218 0.353 7.711 1.00 0.00 C ATOM 121 CG TRP A 11 1.927 1.317 6.601 1.00 0.00 C ATOM 122 CD1 TRP A 11 2.815 2.153 5.987 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.659 1.547 5.977 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.176 2.888 5.018 1.00 0.00 N ATOM 125 CE2 TRP A 11 0.853 2.534 4.991 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.620 1.013 6.152 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -0.185 2.997 4.187 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.650 1.474 5.354 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.427 2.457 4.381 1.00 0.00 C ATOM 0 H TRP A 11 4.662 0.697 7.611 1.00 0.00 H new ATOM 0 HA TRP A 11 2.691 2.012 8.992 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.780 -0.491 7.311 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.278 -0.043 8.094 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.865 2.226 6.228 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.616 3.584 4.416 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.801 0.253 6.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.016 3.755 3.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.643 1.070 5.483 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.252 2.795 3.772 1.00 0.00 H new ATOM 140 N THR A 12 1.470 0.294 10.615 1.00 0.00 N ATOM 141 CA THR A 12 1.065 -0.381 11.842 1.00 0.00 C ATOM 142 C THR A 12 -0.048 -1.387 11.574 1.00 0.00 C ATOM 143 O THR A 12 -0.939 -1.141 10.761 1.00 0.00 O ATOM 144 CB THR A 12 0.587 0.626 12.905 1.00 0.00 C ATOM 145 OG1 THR A 12 0.144 -0.071 14.075 1.00 0.00 O ATOM 146 CG2 THR A 12 -0.544 1.488 12.364 1.00 0.00 C ATOM 0 H THR A 12 0.723 0.813 10.153 1.00 0.00 H new ATOM 0 HA THR A 12 1.943 -0.906 12.219 1.00 0.00 H new ATOM 0 HB THR A 12 1.425 1.274 13.163 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.157 0.576 14.747 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.865 2.191 13.132 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.196 2.039 11.490 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.383 0.852 12.081 1.00 0.00 H new ATOM 154 N VAL A 13 0.009 -2.523 12.264 1.00 0.00 N ATOM 155 CA VAL A 13 -0.996 -3.566 12.102 1.00 0.00 C ATOM 156 C VAL A 13 -2.372 -2.968 11.833 1.00 0.00 C ATOM 157 O VAL A 13 -3.086 -3.409 10.933 1.00 0.00 O ATOM 158 CB VAL A 13 -1.075 -4.468 13.348 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.433 -3.648 14.578 1.00 0.00 C ATOM 160 CG2 VAL A 13 -2.082 -5.587 13.132 1.00 0.00 C ATOM 0 H VAL A 13 0.741 -2.743 12.940 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.691 -4.168 11.246 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.096 -4.918 13.513 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.484 -4.302 15.449 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.671 -2.885 14.741 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.400 -3.168 14.427 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.125 -6.215 14.022 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.066 -5.159 12.942 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.777 -6.190 12.277 1.00 0.00 H new ATOM 170 N GLU A 14 -2.737 -1.960 12.619 1.00 0.00 N ATOM 171 CA GLU A 14 -4.029 -1.301 12.465 1.00 0.00 C ATOM 172 C GLU A 14 -4.266 -0.901 11.012 1.00 0.00 C ATOM 173 O GLU A 14 -5.280 -1.262 10.417 1.00 0.00 O ATOM 174 CB GLU A 14 -4.106 -0.065 13.364 1.00 0.00 C ATOM 175 CG GLU A 14 -3.929 -0.375 14.841 1.00 0.00 C ATOM 176 CD GLU A 14 -3.944 0.871 15.705 1.00 0.00 C ATOM 177 OE1 GLU A 14 -5.048 1.362 16.021 1.00 0.00 O ATOM 178 OE2 GLU A 14 -2.851 1.355 16.065 1.00 0.00 O ATOM 0 H GLU A 14 -2.157 -1.582 13.368 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.805 -2.006 12.761 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.339 0.646 13.056 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.070 0.422 13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.724 -1.047 15.165 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.986 -0.903 14.987 1.00 0.00 H new ATOM 185 N GLU A 15 -3.322 -0.153 10.448 1.00 0.00 N ATOM 186 CA GLU A 15 -3.430 0.297 9.065 1.00 0.00 C ATOM 187 C GLU A 15 -3.237 -0.868 8.098 1.00 0.00 C ATOM 188 O GLU A 15 -4.062 -1.096 7.214 1.00 0.00 O ATOM 189 CB GLU A 15 -2.396 1.388 8.779 1.00 0.00 C ATOM 190 CG GLU A 15 -2.617 2.660 9.580 1.00 0.00 C ATOM 191 CD GLU A 15 -1.519 3.683 9.364 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.331 3.300 9.416 1.00 0.00 O ATOM 193 OE2 GLU A 15 -1.847 4.868 9.143 1.00 0.00 O ATOM 0 H GLU A 15 -2.475 0.154 10.927 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.430 0.706 8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.401 1.000 8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.419 1.629 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.576 3.098 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.674 2.412 10.640 1.00 0.00 H new ATOM 200 N GLN A 16 -2.142 -1.600 8.273 1.00 0.00 N ATOM 201 CA GLN A 16 -1.840 -2.740 7.416 1.00 0.00 C ATOM 202 C GLN A 16 -3.115 -3.484 7.030 1.00 0.00 C ATOM 203 O GLN A 16 -3.443 -3.604 5.849 1.00 0.00 O ATOM 204 CB GLN A 16 -0.873 -3.693 8.119 1.00 0.00 C ATOM 205 CG GLN A 16 0.566 -3.203 8.127 1.00 0.00 C ATOM 206 CD GLN A 16 1.478 -4.082 8.961 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.108 -5.193 9.343 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.677 -3.589 9.247 1.00 0.00 N ATOM 0 H GLN A 16 -1.449 -1.424 9.001 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.371 -2.364 6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.204 -3.840 9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.914 -4.666 7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.939 -3.167 7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.597 -2.184 8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.942 -2.664 8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.334 -4.136 9.804 1.00 0.00 H new ATOM 217 N LYS A 17 -3.830 -3.982 8.033 1.00 0.00 N ATOM 218 CA LYS A 17 -5.069 -4.713 7.800 1.00 0.00 C ATOM 219 C LYS A 17 -6.089 -3.840 7.076 1.00 0.00 C ATOM 220 O LYS A 17 -6.781 -4.299 6.167 1.00 0.00 O ATOM 221 CB LYS A 17 -5.653 -5.203 9.127 1.00 0.00 C ATOM 222 CG LYS A 17 -6.069 -4.080 10.061 1.00 0.00 C ATOM 223 CD LYS A 17 -6.691 -4.618 11.339 1.00 0.00 C ATOM 224 CE LYS A 17 -5.628 -5.087 12.321 1.00 0.00 C ATOM 225 NZ LYS A 17 -6.181 -6.043 13.321 1.00 0.00 N ATOM 0 H LYS A 17 -3.572 -3.892 9.016 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.841 -5.573 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.518 -5.833 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.915 -5.828 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.200 -3.470 10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.782 -3.430 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.300 -3.842 11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.358 -5.446 11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.814 -5.563 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.205 -4.225 12.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.426 -6.339 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.941 -5.581 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.562 -6.877 12.830 1.00 0.00 H new ATOM 239 N LYS A 18 -6.175 -2.578 7.483 1.00 0.00 N ATOM 240 CA LYS A 18 -7.108 -1.638 6.872 1.00 0.00 C ATOM 241 C LYS A 18 -6.885 -1.553 5.365 1.00 0.00 C ATOM 242 O LYS A 18 -7.788 -1.835 4.576 1.00 0.00 O ATOM 243 CB LYS A 18 -6.953 -0.252 7.500 1.00 0.00 C ATOM 244 CG LYS A 18 -8.211 0.595 7.424 1.00 0.00 C ATOM 245 CD LYS A 18 -8.252 1.634 8.532 1.00 0.00 C ATOM 246 CE LYS A 18 -9.232 2.752 8.211 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.646 2.299 8.325 1.00 0.00 N ATOM 0 H LYS A 18 -5.609 -2.182 8.234 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.120 -2.000 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.665 -0.366 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.140 0.275 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.257 1.093 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.088 -0.048 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.537 1.157 9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.256 2.052 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.063 3.589 8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.048 3.118 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.283 3.089 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.815 1.517 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.829 1.974 9.296 1.00 0.00 H new ATOM 261 N LEU A 19 -5.677 -1.164 4.972 1.00 0.00 N ATOM 262 CA LEU A 19 -5.334 -1.043 3.559 1.00 0.00 C ATOM 263 C LEU A 19 -5.726 -2.303 2.794 1.00 0.00 C ATOM 264 O LEU A 19 -6.515 -2.247 1.851 1.00 0.00 O ATOM 265 CB LEU A 19 -3.836 -0.780 3.398 1.00 0.00 C ATOM 266 CG LEU A 19 -3.284 -0.890 1.976 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.940 0.139 1.068 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.772 -0.717 1.976 1.00 0.00 C ATOM 0 H LEU A 19 -4.919 -0.927 5.612 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.890 -0.202 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.621 0.220 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.294 -1.482 4.032 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.516 -1.884 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.535 0.046 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.016 -0.031 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.739 1.141 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.396 -0.798 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.518 0.263 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.317 -1.492 2.593 1.00 0.00 H new ATOM 280 N GLU A 20 -5.170 -3.437 3.208 1.00 0.00 N ATOM 281 CA GLU A 20 -5.464 -4.711 2.562 1.00 0.00 C ATOM 282 C GLU A 20 -6.927 -4.780 2.133 1.00 0.00 C ATOM 283 O GLU A 20 -7.234 -5.137 0.996 1.00 0.00 O ATOM 284 CB GLU A 20 -5.142 -5.873 3.505 1.00 0.00 C ATOM 285 CG GLU A 20 -3.685 -6.302 3.467 1.00 0.00 C ATOM 286 CD GLU A 20 -3.492 -7.747 3.883 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.646 -8.638 3.020 1.00 0.00 O ATOM 288 OE2 GLU A 20 -3.186 -7.988 5.069 1.00 0.00 O ATOM 0 H GLU A 20 -4.514 -3.500 3.987 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.839 -4.790 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.401 -5.585 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.770 -6.725 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.295 -6.163 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.103 -5.657 4.125 1.00 0.00 H new ATOM 295 N GLN A 21 -7.823 -4.435 3.052 1.00 0.00 N ATOM 296 CA GLN A 21 -9.253 -4.459 2.769 1.00 0.00 C ATOM 297 C GLN A 21 -9.619 -3.414 1.720 1.00 0.00 C ATOM 298 O GLN A 21 -10.148 -3.744 0.658 1.00 0.00 O ATOM 299 CB GLN A 21 -10.052 -4.213 4.051 1.00 0.00 C ATOM 300 CG GLN A 21 -9.840 -5.278 5.114 1.00 0.00 C ATOM 301 CD GLN A 21 -10.574 -6.568 4.803 1.00 0.00 C ATOM 302 OE1 GLN A 21 -10.547 -7.054 3.672 1.00 0.00 O ATOM 303 NE2 GLN A 21 -11.236 -7.129 5.808 1.00 0.00 N ATOM 0 H GLN A 21 -7.584 -4.136 3.998 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.503 -5.444 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.775 -3.242 4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.113 -4.164 3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.774 -5.485 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.177 -4.896 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.231 -6.691 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.749 -7.998 5.659 1.00 0.00 H new ATOM 312 N LEU A 22 -9.332 -2.153 2.024 1.00 0.00 N ATOM 313 CA LEU A 22 -9.631 -1.058 1.107 1.00 0.00 C ATOM 314 C LEU A 22 -9.198 -1.404 -0.314 1.00 0.00 C ATOM 315 O LEU A 22 -9.880 -1.066 -1.282 1.00 0.00 O ATOM 316 CB LEU A 22 -8.934 0.223 1.567 1.00 0.00 C ATOM 317 CG LEU A 22 -9.475 0.860 2.848 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.502 1.900 3.380 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.841 1.483 2.597 1.00 0.00 C ATOM 0 H LEU A 22 -8.893 -1.863 2.898 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.709 -0.899 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.876 0.005 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.000 0.957 0.764 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.586 0.079 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.904 2.342 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.545 1.425 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.358 2.679 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.211 1.932 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.755 2.251 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.536 0.713 2.264 1.00 0.00 H new ATOM 331 N LEU A 23 -8.061 -2.082 -0.431 1.00 0.00 N ATOM 332 CA LEU A 23 -7.537 -2.477 -1.734 1.00 0.00 C ATOM 333 C LEU A 23 -8.593 -3.225 -2.542 1.00 0.00 C ATOM 334 O LEU A 23 -8.800 -2.944 -3.723 1.00 0.00 O ATOM 335 CB LEU A 23 -6.295 -3.354 -1.562 1.00 0.00 C ATOM 336 CG LEU A 23 -5.013 -2.628 -1.153 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.929 -3.628 -0.784 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.538 -1.712 -2.272 1.00 0.00 C ATOM 0 H LEU A 23 -7.485 -2.369 0.360 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.264 -1.572 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.513 -4.115 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.110 -3.875 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.228 -2.016 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.024 -3.094 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.269 -4.242 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.716 -4.266 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.625 -1.204 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.340 -2.303 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.309 -0.973 -2.489 1.00 0.00 H new ATOM 350 N ILE A 24 -9.260 -4.176 -1.897 1.00 0.00 N ATOM 351 CA ILE A 24 -10.297 -4.961 -2.555 1.00 0.00 C ATOM 352 C ILE A 24 -11.495 -4.092 -2.923 1.00 0.00 C ATOM 353 O ILE A 24 -11.979 -4.130 -4.055 1.00 0.00 O ATOM 354 CB ILE A 24 -10.775 -6.122 -1.663 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.603 -7.041 -1.312 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.880 -6.905 -2.358 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.913 -8.018 -0.200 1.00 0.00 C ATOM 0 H ILE A 24 -9.101 -4.421 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.854 -5.369 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.177 -5.708 -0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.309 -7.597 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.748 -6.431 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.207 -7.722 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.722 -6.244 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.503 -7.311 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.037 -8.637 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.178 -7.469 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.748 -8.653 -0.496 1.00 0.00 H new ATOM 369 N LYS A 25 -11.967 -3.307 -1.961 1.00 0.00 N ATOM 370 CA LYS A 25 -13.106 -2.424 -2.184 1.00 0.00 C ATOM 371 C LYS A 25 -12.814 -1.430 -3.303 1.00 0.00 C ATOM 372 O LYS A 25 -13.704 -1.066 -4.071 1.00 0.00 O ATOM 373 CB LYS A 25 -13.453 -1.671 -0.897 1.00 0.00 C ATOM 374 CG LYS A 25 -14.596 -0.685 -1.059 1.00 0.00 C ATOM 375 CD LYS A 25 -14.666 0.285 0.109 1.00 0.00 C ATOM 376 CE LYS A 25 -15.303 1.604 -0.300 1.00 0.00 C ATOM 377 NZ LYS A 25 -15.973 2.276 0.849 1.00 0.00 N ATOM 0 H LYS A 25 -11.578 -3.264 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.957 -3.038 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.714 -2.393 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.569 -1.136 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.469 -0.129 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.538 -1.228 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.241 -0.162 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.662 0.468 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.539 2.264 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.031 1.426 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.395 3.171 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.719 1.657 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.274 2.469 1.594 1.00 0.00 H new ATOM 391 N TYR A 26 -11.561 -0.996 -3.391 1.00 0.00 N ATOM 392 CA TYR A 26 -11.152 -0.044 -4.416 1.00 0.00 C ATOM 393 C TYR A 26 -10.361 -0.739 -5.521 1.00 0.00 C ATOM 394 O TYR A 26 -9.144 -0.901 -5.440 1.00 0.00 O ATOM 395 CB TYR A 26 -10.311 1.074 -3.797 1.00 0.00 C ATOM 396 CG TYR A 26 -11.128 2.101 -3.046 1.00 0.00 C ATOM 397 CD1 TYR A 26 -11.843 3.080 -3.725 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.183 2.094 -1.658 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.590 4.021 -3.043 1.00 0.00 C ATOM 400 CE2 TYR A 26 -11.929 3.030 -0.968 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.630 3.992 -1.665 1.00 0.00 C ATOM 402 OH TYR A 26 -13.373 4.927 -0.981 1.00 0.00 O ATOM 0 H TYR A 26 -10.811 -1.289 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.052 0.388 -4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.581 0.634 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.750 1.575 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.814 3.106 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.633 1.344 -1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.140 4.775 -3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.963 3.009 0.111 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.295 4.766 -0.018 1.00 0.00 H new ATOM 412 N PRO A 27 -11.070 -1.158 -6.579 1.00 0.00 N ATOM 413 CA PRO A 27 -10.456 -1.841 -7.722 1.00 0.00 C ATOM 414 C PRO A 27 -9.581 -0.909 -8.553 1.00 0.00 C ATOM 415 O PRO A 27 -9.580 0.308 -8.369 1.00 0.00 O ATOM 416 CB PRO A 27 -11.660 -2.316 -8.540 1.00 0.00 C ATOM 417 CG PRO A 27 -12.757 -1.375 -8.180 1.00 0.00 C ATOM 418 CD PRO A 27 -12.524 -0.998 -6.743 1.00 0.00 C ATOM 0 HA PRO A 27 -9.793 -2.647 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.449 -2.287 -9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.924 -3.345 -8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.742 -0.494 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.732 -1.845 -8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.841 0.025 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.079 -1.645 -6.063 1.00 0.00 H new ATOM 426 N PRO A 28 -8.819 -1.491 -9.491 1.00 0.00 N ATOM 427 CA PRO A 28 -7.927 -0.730 -10.370 1.00 0.00 C ATOM 428 C PRO A 28 -8.692 0.119 -11.379 1.00 0.00 C ATOM 429 O PRO A 28 -9.882 -0.096 -11.609 1.00 0.00 O ATOM 430 CB PRO A 28 -7.123 -1.817 -11.087 1.00 0.00 C ATOM 431 CG PRO A 28 -8.001 -3.020 -11.055 1.00 0.00 C ATOM 432 CD PRO A 28 -8.771 -2.937 -9.766 1.00 0.00 C ATOM 0 HA PRO A 28 -7.312 -0.023 -9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.888 -1.525 -12.111 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.175 -2.005 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.675 -3.034 -11.912 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.411 -3.935 -11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.770 -3.360 -9.867 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.273 -3.482 -8.964 1.00 0.00 H new ATOM 440 N GLU A 29 -8.002 1.084 -11.979 1.00 0.00 N ATOM 441 CA GLU A 29 -8.618 1.965 -12.964 1.00 0.00 C ATOM 442 C GLU A 29 -7.564 2.581 -13.879 1.00 0.00 C ATOM 443 O GLU A 29 -6.369 2.335 -13.719 1.00 0.00 O ATOM 444 CB GLU A 29 -9.411 3.072 -12.265 1.00 0.00 C ATOM 445 CG GLU A 29 -8.691 3.676 -11.071 1.00 0.00 C ATOM 446 CD GLU A 29 -8.581 2.711 -9.907 1.00 0.00 C ATOM 447 OE1 GLU A 29 -9.566 2.582 -9.150 1.00 0.00 O ATOM 448 OE2 GLU A 29 -7.511 2.086 -9.752 1.00 0.00 O ATOM 0 H GLU A 29 -7.016 1.275 -11.800 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.298 1.368 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.629 3.861 -12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.368 2.669 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.692 3.989 -11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.221 4.572 -10.747 1.00 0.00 H new ATOM 455 N GLU A 30 -8.017 3.381 -14.839 1.00 0.00 N ATOM 456 CA GLU A 30 -7.113 4.031 -15.781 1.00 0.00 C ATOM 457 C GLU A 30 -6.049 4.840 -15.045 1.00 0.00 C ATOM 458 O GLU A 30 -4.863 4.763 -15.364 1.00 0.00 O ATOM 459 CB GLU A 30 -7.896 4.941 -16.729 1.00 0.00 C ATOM 460 CG GLU A 30 -8.690 6.023 -16.017 1.00 0.00 C ATOM 461 CD GLU A 30 -9.371 6.976 -16.980 1.00 0.00 C ATOM 462 OE1 GLU A 30 -10.312 6.544 -17.678 1.00 0.00 O ATOM 463 OE2 GLU A 30 -8.963 8.155 -17.035 1.00 0.00 O ATOM 0 H GLU A 30 -9.004 3.595 -14.985 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.616 3.254 -16.362 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.201 5.411 -17.425 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.578 4.332 -17.322 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.442 5.557 -15.380 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.024 6.587 -15.364 1.00 0.00 H new ATOM 470 N VAL A 31 -6.484 5.617 -14.057 1.00 0.00 N ATOM 471 CA VAL A 31 -5.570 6.440 -13.274 1.00 0.00 C ATOM 472 C VAL A 31 -5.289 5.810 -11.915 1.00 0.00 C ATOM 473 O VAL A 31 -6.199 5.620 -11.108 1.00 0.00 O ATOM 474 CB VAL A 31 -6.134 7.858 -13.063 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.188 8.687 -12.208 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.387 8.535 -14.402 1.00 0.00 C ATOM 0 H VAL A 31 -7.463 5.693 -13.781 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.640 6.506 -13.839 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.085 7.778 -12.537 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.603 9.685 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.062 8.209 -11.237 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.220 8.762 -12.704 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.785 9.536 -14.234 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.451 8.605 -14.957 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.106 7.950 -14.975 1.00 0.00 H new ATOM 486 N GLU A 32 -4.023 5.487 -11.668 1.00 0.00 N ATOM 487 CA GLU A 32 -3.623 4.877 -10.406 1.00 0.00 C ATOM 488 C GLU A 32 -3.575 5.917 -9.290 1.00 0.00 C ATOM 489 O GLU A 32 -3.756 5.593 -8.117 1.00 0.00 O ATOM 490 CB GLU A 32 -2.256 4.204 -10.550 1.00 0.00 C ATOM 491 CG GLU A 32 -2.071 3.001 -9.640 1.00 0.00 C ATOM 492 CD GLU A 32 -0.664 2.439 -9.695 1.00 0.00 C ATOM 493 OE1 GLU A 32 0.200 2.930 -8.938 1.00 0.00 O ATOM 494 OE2 GLU A 32 -0.426 1.510 -10.493 1.00 0.00 O ATOM 0 H GLU A 32 -3.258 5.638 -12.325 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.366 4.123 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.122 3.890 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.476 4.935 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.304 3.287 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.780 2.223 -9.923 1.00 0.00 H new ATOM 501 N SER A 33 -3.328 7.168 -9.665 1.00 0.00 N ATOM 502 CA SER A 33 -3.251 8.256 -8.697 1.00 0.00 C ATOM 503 C SER A 33 -4.588 8.447 -7.988 1.00 0.00 C ATOM 504 O SER A 33 -4.667 8.385 -6.761 1.00 0.00 O ATOM 505 CB SER A 33 -2.839 9.556 -9.390 1.00 0.00 C ATOM 506 OG SER A 33 -1.621 9.393 -10.097 1.00 0.00 O ATOM 0 H SER A 33 -3.178 7.453 -10.633 1.00 0.00 H new ATOM 0 HA SER A 33 -2.498 7.995 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.624 9.869 -10.079 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.730 10.348 -8.649 1.00 0.00 H new ATOM 0 HG SER A 33 -1.380 10.237 -10.533 1.00 0.00 H new ATOM 512 N ARG A 34 -5.638 8.680 -8.769 1.00 0.00 N ATOM 513 CA ARG A 34 -6.972 8.882 -8.217 1.00 0.00 C ATOM 514 C ARG A 34 -7.367 7.719 -7.311 1.00 0.00 C ATOM 515 O ARG A 34 -8.063 7.906 -6.313 1.00 0.00 O ATOM 516 CB ARG A 34 -7.996 9.035 -9.343 1.00 0.00 C ATOM 517 CG ARG A 34 -8.400 7.716 -9.983 1.00 0.00 C ATOM 518 CD ARG A 34 -9.694 7.852 -10.770 1.00 0.00 C ATOM 519 NE ARG A 34 -10.814 8.242 -9.918 1.00 0.00 N ATOM 520 CZ ARG A 34 -12.086 8.014 -10.225 1.00 0.00 C ATOM 521 NH1 ARG A 34 -12.397 7.400 -11.359 1.00 0.00 N ATOM 522 NH2 ARG A 34 -13.049 8.399 -9.398 1.00 0.00 N ATOM 0 H ARG A 34 -5.590 8.734 -9.786 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.957 9.795 -7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.886 9.526 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.584 9.690 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.605 7.373 -10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.521 6.957 -9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.563 8.593 -11.558 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.923 6.905 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.608 8.716 -9.038 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.659 7.102 -11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.374 7.226 -11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.813 8.871 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.025 8.223 -9.635 1.00 0.00 H new ATOM 536 N ARG A 35 -6.917 6.520 -7.666 1.00 0.00 N ATOM 537 CA ARG A 35 -7.225 5.327 -6.887 1.00 0.00 C ATOM 538 C ARG A 35 -6.722 5.470 -5.453 1.00 0.00 C ATOM 539 O ARG A 35 -7.489 5.332 -4.500 1.00 0.00 O ATOM 540 CB ARG A 35 -6.600 4.092 -7.537 1.00 0.00 C ATOM 541 CG ARG A 35 -6.604 2.864 -6.641 1.00 0.00 C ATOM 542 CD ARG A 35 -5.783 1.733 -7.241 1.00 0.00 C ATOM 543 NE ARG A 35 -5.495 0.687 -6.264 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.173 -0.559 -6.594 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.098 -0.912 -7.869 1.00 0.00 N ATOM 546 NH2 ARG A 35 -4.925 -1.454 -5.647 1.00 0.00 N ATOM 0 H ARG A 35 -6.338 6.349 -8.488 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.308 5.208 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.140 3.863 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.573 4.321 -7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.203 3.126 -5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.629 2.528 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.322 1.302 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.847 2.132 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.544 0.926 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.288 -0.226 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.851 -1.869 -8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.981 -1.186 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.678 -2.410 -5.901 1.00 0.00 H new ATOM 560 N TRP A 36 -5.431 5.746 -5.309 1.00 0.00 N ATOM 561 CA TRP A 36 -4.826 5.907 -3.992 1.00 0.00 C ATOM 562 C TRP A 36 -5.510 7.024 -3.212 1.00 0.00 C ATOM 563 O TRP A 36 -5.712 6.914 -2.003 1.00 0.00 O ATOM 564 CB TRP A 36 -3.332 6.204 -4.127 1.00 0.00 C ATOM 565 CG TRP A 36 -2.636 5.312 -5.110 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.787 5.697 -6.109 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.731 3.886 -5.190 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.349 4.596 -6.804 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.913 3.473 -6.260 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.426 2.917 -4.461 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.773 2.134 -6.616 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.287 1.589 -4.816 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.465 1.207 -5.885 1.00 0.00 C ATOM 0 H TRP A 36 -4.783 5.863 -6.088 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.956 4.974 -3.444 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.201 7.242 -4.433 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.858 6.097 -3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.502 6.717 -6.321 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.708 4.612 -7.597 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.061 3.201 -3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.141 1.838 -7.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.821 0.832 -4.260 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.376 0.161 -6.137 1.00 0.00 H new ATOM 584 N GLN A 37 -5.865 8.098 -3.911 1.00 0.00 N ATOM 585 CA GLN A 37 -6.526 9.235 -3.281 1.00 0.00 C ATOM 586 C GLN A 37 -7.783 8.791 -2.541 1.00 0.00 C ATOM 587 O GLN A 37 -8.053 9.242 -1.427 1.00 0.00 O ATOM 588 CB GLN A 37 -6.882 10.289 -4.330 1.00 0.00 C ATOM 589 CG GLN A 37 -7.532 11.533 -3.746 1.00 0.00 C ATOM 590 CD GLN A 37 -6.522 12.497 -3.156 1.00 0.00 C ATOM 591 OE1 GLN A 37 -6.133 13.475 -3.795 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.090 12.225 -1.930 1.00 0.00 N ATOM 0 H GLN A 37 -5.706 8.204 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.836 9.671 -2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.977 10.579 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.557 9.847 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.101 12.041 -4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.242 11.239 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.439 11.403 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.409 12.838 -1.482 1.00 0.00 H new ATOM 601 N LYS A 38 -8.551 7.906 -3.166 1.00 0.00 N ATOM 602 CA LYS A 38 -9.781 7.400 -2.567 1.00 0.00 C ATOM 603 C LYS A 38 -9.485 6.638 -1.280 1.00 0.00 C ATOM 604 O LYS A 38 -10.012 6.968 -0.217 1.00 0.00 O ATOM 605 CB LYS A 38 -10.516 6.490 -3.554 1.00 0.00 C ATOM 606 CG LYS A 38 -11.082 7.227 -4.755 1.00 0.00 C ATOM 607 CD LYS A 38 -11.706 6.267 -5.755 1.00 0.00 C ATOM 608 CE LYS A 38 -10.651 5.624 -6.642 1.00 0.00 C ATOM 609 NZ LYS A 38 -11.258 4.947 -7.822 1.00 0.00 N ATOM 0 H LYS A 38 -8.344 7.523 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.416 8.252 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.831 5.717 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.329 5.984 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.831 7.945 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.289 7.796 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.257 5.492 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.427 6.802 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.948 6.385 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.080 4.900 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.614 4.206 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.165 4.518 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.419 5.644 -8.577 1.00 0.00 H new ATOM 623 N ILE A 39 -8.639 5.618 -1.382 1.00 0.00 N ATOM 624 CA ILE A 39 -8.271 4.812 -0.224 1.00 0.00 C ATOM 625 C ILE A 39 -7.742 5.685 0.908 1.00 0.00 C ATOM 626 O ILE A 39 -8.232 5.621 2.036 1.00 0.00 O ATOM 627 CB ILE A 39 -7.207 3.759 -0.586 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.788 2.726 -1.554 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.685 3.080 0.671 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.743 2.047 -2.411 1.00 0.00 C ATOM 0 H ILE A 39 -8.196 5.330 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.176 4.303 0.106 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.373 4.261 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.327 1.969 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.515 3.216 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.934 2.338 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.237 3.826 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.509 2.589 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.226 1.328 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.220 2.794 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.029 1.529 -1.771 1.00 0.00 H new ATOM 642 N ALA A 40 -6.741 6.502 0.600 1.00 0.00 N ATOM 643 CA ALA A 40 -6.147 7.391 1.591 1.00 0.00 C ATOM 644 C ALA A 40 -7.222 8.162 2.350 1.00 0.00 C ATOM 645 O ALA A 40 -7.199 8.231 3.579 1.00 0.00 O ATOM 646 CB ALA A 40 -5.177 8.354 0.923 1.00 0.00 C ATOM 0 H ALA A 40 -6.324 6.567 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.599 6.780 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.741 9.012 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.385 7.790 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.709 8.952 0.183 1.00 0.00 H new ATOM 652 N ASP A 41 -8.162 8.741 1.610 1.00 0.00 N ATOM 653 CA ASP A 41 -9.246 9.508 2.214 1.00 0.00 C ATOM 654 C ASP A 41 -9.902 8.722 3.345 1.00 0.00 C ATOM 655 O ASP A 41 -10.184 9.269 4.410 1.00 0.00 O ATOM 656 CB ASP A 41 -10.289 9.874 1.158 1.00 0.00 C ATOM 657 CG ASP A 41 -11.118 11.080 1.556 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.546 12.028 2.133 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.337 11.075 1.289 1.00 0.00 O ATOM 0 H ASP A 41 -8.195 8.694 0.592 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.824 10.423 2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.788 10.078 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.949 9.022 0.992 1.00 0.00 H new ATOM 664 N GLU A 42 -10.144 7.437 3.104 1.00 0.00 N ATOM 665 CA GLU A 42 -10.769 6.578 4.102 1.00 0.00 C ATOM 666 C GLU A 42 -9.873 6.426 5.328 1.00 0.00 C ATOM 667 O GLU A 42 -10.324 6.581 6.464 1.00 0.00 O ATOM 668 CB GLU A 42 -11.073 5.202 3.505 1.00 0.00 C ATOM 669 CG GLU A 42 -12.444 5.109 2.857 1.00 0.00 C ATOM 670 CD GLU A 42 -13.567 5.452 3.815 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.834 6.657 4.009 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.179 4.517 4.372 1.00 0.00 O ATOM 0 H GLU A 42 -9.917 6.969 2.227 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.703 7.046 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.312 4.961 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.000 4.450 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.483 5.783 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.593 4.099 2.475 1.00 0.00 H new ATOM 679 N LEU A 43 -8.602 6.122 5.090 1.00 0.00 N ATOM 680 CA LEU A 43 -7.641 5.949 6.173 1.00 0.00 C ATOM 681 C LEU A 43 -7.628 7.167 7.090 1.00 0.00 C ATOM 682 O LEU A 43 -7.656 7.037 8.313 1.00 0.00 O ATOM 683 CB LEU A 43 -6.241 5.709 5.606 1.00 0.00 C ATOM 684 CG LEU A 43 -5.967 4.305 5.066 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.759 4.314 4.142 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.757 3.324 6.211 1.00 0.00 C ATOM 0 H LEU A 43 -8.213 5.990 4.156 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.944 5.080 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.068 6.425 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.512 5.925 6.388 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.836 3.982 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.580 3.306 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.947 4.984 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.883 4.658 4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.563 2.330 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.906 3.644 6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.651 3.295 6.834 1.00 0.00 H new ATOM 698 N GLY A 44 -7.588 8.353 6.490 1.00 0.00 N ATOM 699 CA GLY A 44 -7.575 9.578 7.268 1.00 0.00 C ATOM 700 C GLY A 44 -6.178 9.972 7.706 1.00 0.00 C ATOM 701 O GLY A 44 -5.813 11.146 7.655 1.00 0.00 O ATOM 0 H GLY A 44 -7.564 8.487 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.008 10.385 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.206 9.453 8.148 1.00 0.00 H new ATOM 705 N ASN A 45 -5.395 8.989 8.138 1.00 0.00 N ATOM 706 CA ASN A 45 -4.031 9.239 8.588 1.00 0.00 C ATOM 707 C ASN A 45 -3.056 9.205 7.416 1.00 0.00 C ATOM 708 O ASN A 45 -2.248 10.117 7.240 1.00 0.00 O ATOM 709 CB ASN A 45 -3.620 8.205 9.638 1.00 0.00 C ATOM 710 CG ASN A 45 -2.498 8.700 10.529 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.472 9.179 10.046 1.00 0.00 O ATOM 712 ND2 ASN A 45 -2.688 8.586 11.839 1.00 0.00 N ATOM 0 H ASN A 45 -5.682 8.011 8.186 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.000 10.233 9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.484 7.953 10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.306 7.289 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.968 8.902 12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.554 8.183 12.195 1.00 0.00 H new ATOM 719 N ARG A 46 -3.138 8.147 6.616 1.00 0.00 N ATOM 720 CA ARG A 46 -2.263 7.993 5.460 1.00 0.00 C ATOM 721 C ARG A 46 -2.695 8.914 4.324 1.00 0.00 C ATOM 722 O ARG A 46 -3.786 9.485 4.353 1.00 0.00 O ATOM 723 CB ARG A 46 -2.265 6.540 4.982 1.00 0.00 C ATOM 724 CG ARG A 46 -1.338 5.635 5.777 1.00 0.00 C ATOM 725 CD ARG A 46 0.122 5.915 5.460 1.00 0.00 C ATOM 726 NE ARG A 46 1.024 5.239 6.388 1.00 0.00 N ATOM 727 CZ ARG A 46 1.136 5.563 7.672 1.00 0.00 C ATOM 728 NH1 ARG A 46 0.406 6.548 8.176 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.979 4.900 8.453 1.00 0.00 N ATOM 0 H ARG A 46 -3.802 7.384 6.747 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.252 8.268 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.280 6.148 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.974 6.512 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.514 5.779 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.566 4.593 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.340 5.591 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.301 6.989 5.498 1.00 0.00 H new ATOM 0 HE ARG A 46 1.600 4.476 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.243 7.059 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.494 6.795 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.542 4.141 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.065 5.149 9.438 1.00 0.00 H new ATOM 743 N THR A 47 -1.833 9.056 3.322 1.00 0.00 N ATOM 744 CA THR A 47 -2.124 9.909 2.177 1.00 0.00 C ATOM 745 C THR A 47 -1.932 9.155 0.866 1.00 0.00 C ATOM 746 O THR A 47 -1.216 8.155 0.814 1.00 0.00 O ATOM 747 CB THR A 47 -1.231 11.164 2.170 1.00 0.00 C ATOM 748 OG1 THR A 47 0.143 10.786 2.036 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.419 11.969 3.447 1.00 0.00 C ATOM 0 H THR A 47 -0.926 8.590 3.281 1.00 0.00 H new ATOM 0 HA THR A 47 -3.166 10.214 2.268 1.00 0.00 H new ATOM 0 HB THR A 47 -1.521 11.785 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.704 11.589 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.778 12.850 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.460 12.280 3.531 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.153 11.354 4.307 1.00 0.00 H new ATOM 757 N ALA A 48 -2.575 9.640 -0.190 1.00 0.00 N ATOM 758 CA ALA A 48 -2.473 9.013 -1.502 1.00 0.00 C ATOM 759 C ALA A 48 -1.070 8.466 -1.740 1.00 0.00 C ATOM 760 O ALA A 48 -0.894 7.281 -2.026 1.00 0.00 O ATOM 761 CB ALA A 48 -2.846 10.006 -2.592 1.00 0.00 C ATOM 0 H ALA A 48 -3.173 10.466 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.172 8.177 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.765 9.524 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.870 10.346 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.170 10.860 -2.553 1.00 0.00 H new ATOM 767 N LYS A 49 -0.072 9.336 -1.621 1.00 0.00 N ATOM 768 CA LYS A 49 1.317 8.940 -1.823 1.00 0.00 C ATOM 769 C LYS A 49 1.692 7.784 -0.903 1.00 0.00 C ATOM 770 O LYS A 49 1.964 6.675 -1.364 1.00 0.00 O ATOM 771 CB LYS A 49 2.248 10.128 -1.573 1.00 0.00 C ATOM 772 CG LYS A 49 2.519 10.961 -2.814 1.00 0.00 C ATOM 773 CD LYS A 49 3.735 10.454 -3.571 1.00 0.00 C ATOM 774 CE LYS A 49 3.649 10.788 -5.052 1.00 0.00 C ATOM 775 NZ LYS A 49 4.409 9.815 -5.885 1.00 0.00 N ATOM 0 H LYS A 49 -0.200 10.320 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 49 1.429 8.610 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.810 10.767 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.195 9.760 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.647 10.937 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.675 12.001 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.638 10.896 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.819 9.375 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.604 10.794 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.038 11.792 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.326 10.077 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.411 9.827 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.022 8.860 -5.744 1.00 0.00 H new ATOM 789 N GLN A 50 1.704 8.049 0.400 1.00 0.00 N ATOM 790 CA GLN A 50 2.046 7.029 1.384 1.00 0.00 C ATOM 791 C GLN A 50 1.415 5.689 1.020 1.00 0.00 C ATOM 792 O GLN A 50 2.045 4.639 1.150 1.00 0.00 O ATOM 793 CB GLN A 50 1.586 7.461 2.777 1.00 0.00 C ATOM 794 CG GLN A 50 2.166 8.793 3.224 1.00 0.00 C ATOM 795 CD GLN A 50 3.652 8.713 3.516 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.268 7.656 3.376 1.00 0.00 O ATOM 797 NE2 GLN A 50 4.236 9.834 3.924 1.00 0.00 N ATOM 0 H GLN A 50 1.481 8.961 0.798 1.00 0.00 H new ATOM 0 HA GLN A 50 3.130 6.911 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.498 7.526 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.866 6.692 3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.991 9.540 2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.642 9.132 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.687 10.687 4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.234 9.842 4.135 1.00 0.00 H new ATOM 806 N VAL A 51 0.167 5.732 0.564 1.00 0.00 N ATOM 807 CA VAL A 51 -0.548 4.521 0.180 1.00 0.00 C ATOM 808 C VAL A 51 0.025 3.926 -1.101 1.00 0.00 C ATOM 809 O VAL A 51 0.168 2.710 -1.223 1.00 0.00 O ATOM 810 CB VAL A 51 -2.050 4.797 -0.023 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.771 3.531 -0.461 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.665 5.356 1.251 1.00 0.00 C ATOM 0 H VAL A 51 -0.369 6.592 0.452 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.423 3.808 0.995 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.162 5.542 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.831 3.745 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.347 3.177 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.653 2.762 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.726 5.545 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.543 4.636 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.167 6.288 1.517 1.00 0.00 H new ATOM 822 N ALA A 52 0.353 4.792 -2.054 1.00 0.00 N ATOM 823 CA ALA A 52 0.914 4.353 -3.326 1.00 0.00 C ATOM 824 C ALA A 52 2.177 3.525 -3.112 1.00 0.00 C ATOM 825 O ALA A 52 2.279 2.396 -3.591 1.00 0.00 O ATOM 826 CB ALA A 52 1.210 5.552 -4.215 1.00 0.00 C ATOM 0 H ALA A 52 0.240 5.802 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 52 0.177 3.721 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.628 5.209 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.288 6.101 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.926 6.206 -3.717 1.00 0.00 H new ATOM 832 N SER A 53 3.137 4.095 -2.391 1.00 0.00 N ATOM 833 CA SER A 53 4.396 3.412 -2.118 1.00 0.00 C ATOM 834 C SER A 53 4.148 2.065 -1.446 1.00 0.00 C ATOM 835 O SER A 53 4.749 1.056 -1.814 1.00 0.00 O ATOM 836 CB SER A 53 5.291 4.280 -1.232 1.00 0.00 C ATOM 837 OG SER A 53 5.689 5.459 -1.909 1.00 0.00 O ATOM 0 H SER A 53 3.067 5.028 -1.985 1.00 0.00 H new ATOM 0 HA SER A 53 4.899 3.237 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.758 4.544 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.173 3.713 -0.934 1.00 0.00 H new ATOM 0 HG SER A 53 6.259 5.997 -1.321 1.00 0.00 H new ATOM 843 N GLN A 54 3.259 2.059 -0.458 1.00 0.00 N ATOM 844 CA GLN A 54 2.931 0.837 0.267 1.00 0.00 C ATOM 845 C GLN A 54 2.472 -0.258 -0.690 1.00 0.00 C ATOM 846 O GLN A 54 2.917 -1.402 -0.601 1.00 0.00 O ATOM 847 CB GLN A 54 1.844 1.112 1.307 1.00 0.00 C ATOM 848 CG GLN A 54 1.753 0.047 2.389 1.00 0.00 C ATOM 849 CD GLN A 54 2.949 0.058 3.320 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.935 0.754 3.075 1.00 0.00 O ATOM 851 NE2 GLN A 54 2.869 -0.716 4.396 1.00 0.00 N ATOM 0 H GLN A 54 2.753 2.886 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 54 3.832 0.494 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.036 2.078 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.881 1.188 0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.844 0.201 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.670 -0.934 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.033 -1.277 4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.644 -0.750 5.059 1.00 0.00 H new ATOM 860 N VAL A 55 1.577 0.101 -1.605 1.00 0.00 N ATOM 861 CA VAL A 55 1.057 -0.850 -2.580 1.00 0.00 C ATOM 862 C VAL A 55 2.189 -1.546 -3.327 1.00 0.00 C ATOM 863 O VAL A 55 2.132 -2.749 -3.579 1.00 0.00 O ATOM 864 CB VAL A 55 0.132 -0.160 -3.600 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.367 -1.160 -4.631 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.034 0.513 -2.891 1.00 0.00 C ATOM 0 H VAL A 55 1.197 1.044 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 55 0.483 -1.591 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 55 0.704 0.608 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.019 -0.654 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.483 -1.592 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.923 -1.952 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.678 0.996 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.607 -0.235 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.654 1.261 -2.195 1.00 0.00 H new ATOM 876 N GLN A 56 3.217 -0.780 -3.678 1.00 0.00 N ATOM 877 CA GLN A 56 4.364 -1.324 -4.397 1.00 0.00 C ATOM 878 C GLN A 56 4.962 -2.510 -3.649 1.00 0.00 C ATOM 879 O GLN A 56 5.186 -3.574 -4.228 1.00 0.00 O ATOM 880 CB GLN A 56 5.427 -0.242 -4.596 1.00 0.00 C ATOM 881 CG GLN A 56 4.954 0.927 -5.446 1.00 0.00 C ATOM 882 CD GLN A 56 4.805 0.562 -6.910 1.00 0.00 C ATOM 883 OE1 GLN A 56 4.377 -0.543 -7.245 1.00 0.00 O ATOM 884 NE2 GLN A 56 5.159 1.490 -7.790 1.00 0.00 N ATOM 0 H GLN A 56 3.279 0.218 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 56 4.020 -1.669 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.740 0.132 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.305 -0.688 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.997 1.284 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.662 1.750 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.509 2.392 -7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.081 1.301 -8.789 1.00 0.00 H new ATOM 893 N LYS A 57 5.221 -2.321 -2.360 1.00 0.00 N ATOM 894 CA LYS A 57 5.793 -3.376 -1.531 1.00 0.00 C ATOM 895 C LYS A 57 4.708 -4.321 -1.027 1.00 0.00 C ATOM 896 O LYS A 57 4.900 -5.034 -0.042 1.00 0.00 O ATOM 897 CB LYS A 57 6.547 -2.769 -0.345 1.00 0.00 C ATOM 898 CG LYS A 57 7.654 -1.812 -0.754 1.00 0.00 C ATOM 899 CD LYS A 57 8.015 -0.863 0.376 1.00 0.00 C ATOM 900 CE LYS A 57 9.051 0.160 -0.065 1.00 0.00 C ATOM 901 NZ LYS A 57 10.441 -0.328 0.150 1.00 0.00 N ATOM 0 H LYS A 57 5.044 -1.446 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 57 6.491 -3.947 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.839 -2.241 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.976 -3.574 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.536 -2.380 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.337 -1.238 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.118 -0.349 0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.401 -1.432 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.907 0.391 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.903 1.088 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.116 0.398 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.588 -0.524 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.591 -1.200 -0.397 1.00 0.00 H new ATOM 915 N TYR A 58 3.568 -4.323 -1.709 1.00 0.00 N ATOM 916 CA TYR A 58 2.451 -5.180 -1.329 1.00 0.00 C ATOM 917 C TYR A 58 2.117 -6.166 -2.445 1.00 0.00 C ATOM 918 O TYR A 58 1.772 -7.319 -2.187 1.00 0.00 O ATOM 919 CB TYR A 58 1.221 -4.334 -0.996 1.00 0.00 C ATOM 920 CG TYR A 58 1.137 -3.936 0.460 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.281 -3.613 1.180 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.087 -3.883 1.117 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.209 -3.250 2.511 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.168 -3.519 2.447 1.00 0.00 C ATOM 925 CZ TYR A 58 0.982 -3.203 3.140 1.00 0.00 C ATOM 926 OH TYR A 58 0.905 -2.841 4.465 1.00 0.00 O ATOM 0 H TYR A 58 3.393 -3.741 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 58 2.745 -5.745 -0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.232 -3.434 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.323 -4.891 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.243 -3.646 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.990 -4.131 0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.108 -3.004 3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.127 -3.482 2.942 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.031 -2.857 4.755 1.00 0.00 H new ATOM 936 N PHE A 59 2.223 -5.703 -3.686 1.00 0.00 N ATOM 937 CA PHE A 59 1.932 -6.542 -4.842 1.00 0.00 C ATOM 938 C PHE A 59 3.220 -6.975 -5.537 1.00 0.00 C ATOM 939 O PHE A 59 3.367 -8.134 -5.927 1.00 0.00 O ATOM 940 CB PHE A 59 1.034 -5.793 -5.829 1.00 0.00 C ATOM 941 CG PHE A 59 -0.313 -5.441 -5.265 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.419 -4.647 -4.134 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.473 -5.902 -5.866 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.657 -4.322 -3.613 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.714 -5.580 -5.350 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.806 -4.788 -4.222 1.00 0.00 C ATOM 0 H PHE A 59 2.508 -4.751 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 59 1.411 -7.433 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.537 -4.879 -6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.897 -6.405 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.476 -4.278 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.407 -6.521 -6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.726 -3.704 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.610 -5.947 -5.828 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.774 -4.534 -3.817 1.00 0.00 H new ATOM 956 N ILE A 60 4.148 -6.037 -5.688 1.00 0.00 N ATOM 957 CA ILE A 60 5.423 -6.321 -6.335 1.00 0.00 C ATOM 958 C ILE A 60 6.300 -7.206 -5.456 1.00 0.00 C ATOM 959 O ILE A 60 7.071 -8.026 -5.955 1.00 0.00 O ATOM 960 CB ILE A 60 6.188 -5.026 -6.665 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.301 -4.075 -7.471 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.464 -5.345 -7.431 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.906 -2.703 -7.667 1.00 0.00 C ATOM 0 H ILE A 60 4.041 -5.073 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 60 5.196 -6.845 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 60 6.461 -4.535 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.101 -4.517 -8.447 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.341 -3.971 -6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.994 -4.420 -7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.101 -5.989 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.212 -5.855 -8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.222 -2.083 -8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.081 -2.240 -6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.852 -2.795 -8.200 1.00 0.00 H new ATOM 975 N LYS A 61 6.176 -7.036 -4.144 1.00 0.00 N ATOM 976 CA LYS A 61 6.955 -7.821 -3.194 1.00 0.00 C ATOM 977 C LYS A 61 6.308 -9.181 -2.953 1.00 0.00 C ATOM 978 O LYS A 61 6.285 -9.679 -1.826 1.00 0.00 O ATOM 979 CB LYS A 61 7.090 -7.067 -1.869 1.00 0.00 C ATOM 980 CG LYS A 61 8.175 -7.621 -0.962 1.00 0.00 C ATOM 981 CD LYS A 61 8.190 -6.917 0.385 1.00 0.00 C ATOM 982 CE LYS A 61 9.102 -5.700 0.368 1.00 0.00 C ATOM 983 NZ LYS A 61 9.531 -5.309 1.739 1.00 0.00 N ATOM 0 H LYS A 61 5.543 -6.361 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 61 7.947 -7.980 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.303 -6.018 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.136 -7.100 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.016 -8.689 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.146 -7.507 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.178 -6.611 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.523 -7.612 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.981 -5.913 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.584 -4.864 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.151 -4.476 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.694 -5.081 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.048 -6.097 2.179 1.00 0.00 H new ATOM 997 N LEU A 62 5.786 -9.779 -4.018 1.00 0.00 N ATOM 998 CA LEU A 62 5.140 -11.084 -3.923 1.00 0.00 C ATOM 999 C LEU A 62 5.644 -12.022 -5.015 1.00 0.00 C ATOM 1000 O LEU A 62 5.742 -13.233 -4.813 1.00 0.00 O ATOM 1001 CB LEU A 62 3.622 -10.932 -4.025 1.00 0.00 C ATOM 1002 CG LEU A 62 2.925 -10.321 -2.809 1.00 0.00 C ATOM 1003 CD1 LEU A 62 1.476 -9.991 -3.134 1.00 0.00 C ATOM 1004 CD2 LEU A 62 3.004 -11.265 -1.618 1.00 0.00 C ATOM 0 H LEU A 62 5.797 -9.381 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 62 5.391 -11.517 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.396 -10.316 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.190 -11.916 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 62 3.438 -9.395 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.996 -9.557 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.441 -9.277 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.951 -10.902 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.503 -10.813 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.517 -12.208 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.049 -11.451 -1.370 1.00 0.00 H new ATOM 1016 N THR A 63 5.964 -11.454 -6.174 1.00 0.00 N ATOM 1017 CA THR A 63 6.459 -12.239 -7.298 1.00 0.00 C ATOM 1018 C THR A 63 7.828 -12.834 -6.993 1.00 0.00 C ATOM 1019 O THR A 63 8.843 -12.398 -7.538 1.00 0.00 O ATOM 1020 CB THR A 63 6.556 -11.387 -8.578 1.00 0.00 C ATOM 1021 OG1 THR A 63 7.098 -12.169 -9.648 1.00 0.00 O ATOM 1022 CG2 THR A 63 7.428 -10.162 -8.347 1.00 0.00 C ATOM 0 H THR A 63 5.889 -10.454 -6.358 1.00 0.00 H new ATOM 0 HA THR A 63 5.744 -13.045 -7.460 1.00 0.00 H new ATOM 0 HB THR A 63 5.552 -11.055 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.155 -11.620 -10.458 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.482 -9.576 -9.264 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.997 -9.553 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.431 -10.478 -8.059 1.00 0.00 H new ATOM 1030 N LYS A 64 7.851 -13.835 -6.118 1.00 0.00 N ATOM 1031 CA LYS A 64 9.096 -14.493 -5.741 1.00 0.00 C ATOM 1032 C LYS A 64 10.253 -13.499 -5.721 1.00 0.00 C ATOM 1033 O LYS A 64 11.381 -13.837 -6.079 1.00 0.00 O ATOM 1034 CB LYS A 64 9.408 -15.635 -6.711 1.00 0.00 C ATOM 1035 CG LYS A 64 10.473 -16.592 -6.203 1.00 0.00 C ATOM 1036 CD LYS A 64 10.707 -17.734 -7.177 1.00 0.00 C ATOM 1037 CE LYS A 64 11.586 -17.302 -8.341 1.00 0.00 C ATOM 1038 NZ LYS A 64 12.152 -18.469 -9.072 1.00 0.00 N ATOM 0 H LYS A 64 7.021 -14.208 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 64 8.972 -14.900 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.493 -16.194 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.734 -15.214 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.405 -16.050 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.171 -16.994 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.176 -18.568 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.750 -18.093 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.002 -16.691 -9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.398 -16.677 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.745 -18.132 -9.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.730 -19.039 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.377 -19.052 -9.448 1.00 0.00 H new ATOM 1052 N ALA A 65 9.966 -12.272 -5.298 1.00 0.00 N ATOM 1053 CA ALA A 65 10.983 -11.231 -5.228 1.00 0.00 C ATOM 1054 C ALA A 65 11.888 -11.264 -6.455 1.00 0.00 C ATOM 1055 O ALA A 65 13.113 -11.241 -6.336 1.00 0.00 O ATOM 1056 CB ALA A 65 11.807 -11.382 -3.958 1.00 0.00 C ATOM 0 H ALA A 65 9.037 -11.975 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 65 10.478 -10.265 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.563 -10.598 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.154 -11.300 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.295 -12.357 -3.955 1.00 0.00 H new ATOM 1062 N GLY A 66 11.277 -11.319 -7.634 1.00 0.00 N ATOM 1063 CA GLY A 66 12.044 -11.355 -8.866 1.00 0.00 C ATOM 1064 C GLY A 66 12.219 -9.981 -9.481 1.00 0.00 C ATOM 1065 O GLY A 66 13.202 -9.726 -10.178 1.00 0.00 O ATOM 0 H GLY A 66 10.265 -11.339 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.024 -11.788 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.546 -12.009 -9.582 1.00 0.00 H new ATOM 1069 N ILE A 67 11.264 -9.093 -9.224 1.00 0.00 N ATOM 1070 CA ILE A 67 11.318 -7.738 -9.758 1.00 0.00 C ATOM 1071 C ILE A 67 12.166 -6.832 -8.873 1.00 0.00 C ATOM 1072 O ILE A 67 12.100 -6.883 -7.644 1.00 0.00 O ATOM 1073 CB ILE A 67 9.909 -7.131 -9.894 1.00 0.00 C ATOM 1074 CG1 ILE A 67 9.058 -7.972 -10.848 1.00 0.00 C ATOM 1075 CG2 ILE A 67 9.997 -5.693 -10.383 1.00 0.00 C ATOM 1076 CD1 ILE A 67 7.572 -7.717 -10.716 1.00 0.00 C ATOM 0 H ILE A 67 10.444 -9.288 -8.649 1.00 0.00 H new ATOM 0 HA ILE A 67 11.773 -7.806 -10.746 1.00 0.00 H new ATOM 0 HB ILE A 67 9.432 -7.133 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.364 -7.765 -11.873 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.255 -9.028 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.993 -5.278 -10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 67 10.571 -5.101 -9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.489 -5.669 -11.355 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.031 -8.347 -11.422 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.251 -7.951 -9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.362 -6.669 -10.930 1.00 0.00 H new ATOM 1088 N PRO A 68 12.983 -5.979 -9.509 1.00 0.00 N ATOM 1089 CA PRO A 68 13.859 -5.042 -8.799 1.00 0.00 C ATOM 1090 C PRO A 68 13.078 -3.931 -8.106 1.00 0.00 C ATOM 1091 O PRO A 68 12.367 -3.161 -8.752 1.00 0.00 O ATOM 1092 CB PRO A 68 14.737 -4.465 -9.912 1.00 0.00 C ATOM 1093 CG PRO A 68 13.922 -4.608 -11.151 1.00 0.00 C ATOM 1094 CD PRO A 68 13.113 -5.863 -10.971 1.00 0.00 C ATOM 0 HA PRO A 68 14.422 -5.532 -8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 68 14.985 -3.421 -9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.679 -5.007 -9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.274 -3.743 -11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 68 14.560 -4.678 -12.032 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.140 -5.787 -11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.616 -6.730 -11.400 1.00 0.00 H new ATOM 1102 N VAL A 69 13.215 -3.852 -6.786 1.00 0.00 N ATOM 1103 CA VAL A 69 12.524 -2.833 -6.005 1.00 0.00 C ATOM 1104 C VAL A 69 13.473 -1.709 -5.606 1.00 0.00 C ATOM 1105 O VAL A 69 13.064 -0.555 -5.474 1.00 0.00 O ATOM 1106 CB VAL A 69 11.893 -3.433 -4.734 1.00 0.00 C ATOM 1107 CG1 VAL A 69 12.949 -4.137 -3.895 1.00 0.00 C ATOM 1108 CG2 VAL A 69 11.193 -2.350 -3.926 1.00 0.00 C ATOM 0 H VAL A 69 13.798 -4.482 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 69 11.734 -2.430 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 69 11.149 -4.171 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.485 -4.555 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.401 -4.939 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.719 -3.422 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.753 -2.791 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.916 -1.587 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.408 -1.895 -4.530 1.00 0.00 H new ATOM 1118 N SER A 70 14.743 -2.052 -5.417 1.00 0.00 N ATOM 1119 CA SER A 70 15.751 -1.072 -5.030 1.00 0.00 C ATOM 1120 C SER A 70 17.102 -1.408 -5.653 1.00 0.00 C ATOM 1121 O SER A 70 17.311 -2.512 -6.152 1.00 0.00 O ATOM 1122 CB SER A 70 15.878 -1.015 -3.506 1.00 0.00 C ATOM 1123 OG SER A 70 16.440 0.217 -3.088 1.00 0.00 O ATOM 0 H SER A 70 15.099 -3.002 -5.526 1.00 0.00 H new ATOM 0 HA SER A 70 15.434 -0.096 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.896 -1.144 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.501 -1.839 -3.159 1.00 0.00 H new ATOM 0 HG SER A 70 16.509 0.230 -2.111 1.00 0.00 H new ATOM 1129 N GLY A 71 18.018 -0.444 -5.619 1.00 0.00 N ATOM 1130 CA GLY A 71 19.338 -0.655 -6.183 1.00 0.00 C ATOM 1131 C GLY A 71 20.433 -0.020 -5.350 1.00 0.00 C ATOM 1132 O GLY A 71 20.934 -0.609 -4.391 1.00 0.00 O ATOM 0 H GLY A 71 17.869 0.479 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.526 -1.725 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 71 19.369 -0.244 -7.192 1.00 0.00 H new ATOM 1136 N PRO A 72 20.823 1.210 -5.716 1.00 0.00 N ATOM 1137 CA PRO A 72 21.872 1.951 -5.008 1.00 0.00 C ATOM 1138 C PRO A 72 21.428 2.399 -3.620 1.00 0.00 C ATOM 1139 O PRO A 72 20.758 3.421 -3.471 1.00 0.00 O ATOM 1140 CB PRO A 72 22.117 3.165 -5.909 1.00 0.00 C ATOM 1141 CG PRO A 72 20.838 3.350 -6.651 1.00 0.00 C ATOM 1142 CD PRO A 72 20.271 1.971 -6.848 1.00 0.00 C ATOM 0 HA PRO A 72 22.760 1.341 -4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.366 4.049 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 72 22.949 2.990 -6.591 1.00 0.00 H new ATOM 0 HG2 PRO A 72 20.148 3.979 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.010 3.842 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.181 1.979 -6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 72 20.574 1.545 -7.804 1.00 0.00 H new ATOM 1150 N SER A 73 21.807 1.627 -2.606 1.00 0.00 N ATOM 1151 CA SER A 73 21.445 1.943 -1.229 1.00 0.00 C ATOM 1152 C SER A 73 22.578 1.582 -0.273 1.00 0.00 C ATOM 1153 O SER A 73 23.594 1.019 -0.681 1.00 0.00 O ATOM 1154 CB SER A 73 20.169 1.198 -0.830 1.00 0.00 C ATOM 1155 OG SER A 73 19.547 1.813 0.284 1.00 0.00 O ATOM 0 H SER A 73 22.364 0.779 -2.712 1.00 0.00 H new ATOM 0 HA SER A 73 21.266 3.016 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 73 19.477 1.179 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.409 0.162 -0.591 1.00 0.00 H new ATOM 0 HG SER A 73 18.733 1.319 0.518 1.00 0.00 H new ATOM 1161 N SER A 74 22.395 1.909 1.002 1.00 0.00 N ATOM 1162 CA SER A 74 23.402 1.623 2.017 1.00 0.00 C ATOM 1163 C SER A 74 22.788 1.642 3.413 1.00 0.00 C ATOM 1164 O SER A 74 21.601 1.921 3.578 1.00 0.00 O ATOM 1165 CB SER A 74 24.543 2.639 1.935 1.00 0.00 C ATOM 1166 OG SER A 74 25.659 2.216 2.698 1.00 0.00 O ATOM 0 H SER A 74 21.558 2.372 1.357 1.00 0.00 H new ATOM 0 HA SER A 74 23.799 0.626 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 74 24.840 2.774 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 74 24.198 3.608 2.296 1.00 0.00 H new ATOM 0 HG SER A 74 26.375 2.882 2.627 1.00 0.00 H new ATOM 1172 N GLY A 75 23.606 1.343 4.418 1.00 0.00 N ATOM 1173 CA GLY A 75 23.127 1.331 5.787 1.00 0.00 C ATOM 1174 C GLY A 75 22.706 -0.052 6.242 1.00 0.00 C ATOM 1175 O GLY A 75 22.471 -0.277 7.430 1.00 0.00 O ATOM 0 H GLY A 75 24.593 1.109 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.911 1.704 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.282 2.013 5.879 1.00 0.00 H new TER 1179 GLY A 75