USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.387 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 17:sc= 0.224 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00727 X(o=-0.0073,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.0835 K(o=-0.084,f=-0.9) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.51) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= 0.00422 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.17) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0418) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.532 F(o=-1.9,f=-0.53) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.521 K(o=-0.52,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0456) USER MOD Single : A 50 GLN : amide:sc= -0.582 K(o=-0.58,f=-1.3) USER MOD Single : A 53 SER OG : rot -42:sc= 0.568 USER MOD Single : A 54 GLN : amide:sc= -4.31! C(o=-4.3!,f=-7.8!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.354 USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= -0.0271 (180deg=-0.2) 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 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.980 -10.548 -1.015 1.00 0.00 N ATOM 2 CA GLY A 1 21.217 -9.212 -0.499 1.00 0.00 C ATOM 3 C GLY A 1 20.539 -8.978 0.836 1.00 0.00 C ATOM 4 O GLY A 1 19.355 -8.646 0.889 1.00 0.00 O ATOM 0 H1 GLY A 1 21.464 -10.658 -1.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.347 -11.250 -0.342 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.958 -10.694 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.290 -9.052 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.856 -8.478 -1.220 1.00 0.00 H new ATOM 8 N SER A 2 21.291 -9.153 1.919 1.00 0.00 N ATOM 9 CA SER A 2 20.753 -8.963 3.261 1.00 0.00 C ATOM 10 C SER A 2 21.381 -7.745 3.931 1.00 0.00 C ATOM 11 O SER A 2 22.583 -7.719 4.196 1.00 0.00 O ATOM 12 CB SER A 2 20.999 -10.211 4.112 1.00 0.00 C ATOM 13 OG SER A 2 22.378 -10.538 4.151 1.00 0.00 O ATOM 0 H SER A 2 22.274 -9.426 1.893 1.00 0.00 H new ATOM 0 HA SER A 2 19.679 -8.795 3.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.633 -10.042 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.434 -11.050 3.705 1.00 0.00 H new ATOM 0 HG SER A 2 22.906 -9.718 4.242 1.00 0.00 H new ATOM 19 N SER A 3 20.559 -6.737 4.202 1.00 0.00 N ATOM 20 CA SER A 3 21.033 -5.513 4.837 1.00 0.00 C ATOM 21 C SER A 3 20.021 -5.003 5.858 1.00 0.00 C ATOM 22 O SER A 3 18.889 -5.483 5.920 1.00 0.00 O ATOM 23 CB SER A 3 21.297 -4.435 3.783 1.00 0.00 C ATOM 24 OG SER A 3 22.271 -3.510 4.233 1.00 0.00 O ATOM 0 H SER A 3 19.561 -6.744 3.992 1.00 0.00 H new ATOM 0 HA SER A 3 21.964 -5.740 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.634 -4.902 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.370 -3.910 3.555 1.00 0.00 H new ATOM 0 HG SER A 3 22.423 -2.833 3.541 1.00 0.00 H new ATOM 30 N GLY A 4 20.437 -4.027 6.659 1.00 0.00 N ATOM 31 CA GLY A 4 19.556 -3.468 7.668 1.00 0.00 C ATOM 32 C GLY A 4 18.601 -2.438 7.097 1.00 0.00 C ATOM 33 O GLY A 4 18.869 -1.845 6.052 1.00 0.00 O ATOM 0 H GLY A 4 21.369 -3.613 6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.984 -4.271 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.155 -3.008 8.454 1.00 0.00 H new ATOM 37 N SER A 5 17.483 -2.226 7.783 1.00 0.00 N ATOM 38 CA SER A 5 16.482 -1.265 7.336 1.00 0.00 C ATOM 39 C SER A 5 15.988 -0.412 8.501 1.00 0.00 C ATOM 40 O SER A 5 15.625 -0.933 9.555 1.00 0.00 O ATOM 41 CB SER A 5 15.303 -1.990 6.684 1.00 0.00 C ATOM 42 OG SER A 5 14.617 -2.797 7.625 1.00 0.00 O ATOM 0 H SER A 5 17.247 -2.707 8.651 1.00 0.00 H new ATOM 0 HA SER A 5 16.948 -0.609 6.600 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.615 -1.261 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.662 -2.610 5.862 1.00 0.00 H new ATOM 0 HG SER A 5 14.859 -2.518 8.533 1.00 0.00 H new ATOM 48 N SER A 6 15.978 0.902 8.302 1.00 0.00 N ATOM 49 CA SER A 6 15.532 1.828 9.336 1.00 0.00 C ATOM 50 C SER A 6 14.701 2.957 8.733 1.00 0.00 C ATOM 51 O SER A 6 15.194 3.744 7.927 1.00 0.00 O ATOM 52 CB SER A 6 16.735 2.408 10.083 1.00 0.00 C ATOM 53 OG SER A 6 16.318 3.233 11.158 1.00 0.00 O ATOM 0 H SER A 6 16.274 1.349 7.434 1.00 0.00 H new ATOM 0 HA SER A 6 14.908 1.276 10.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.357 1.597 10.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.351 2.986 9.394 1.00 0.00 H new ATOM 0 HG SER A 6 17.105 3.590 11.621 1.00 0.00 H new ATOM 59 N GLY A 7 13.434 3.028 9.132 1.00 0.00 N ATOM 60 CA GLY A 7 12.553 4.062 8.622 1.00 0.00 C ATOM 61 C GLY A 7 11.764 4.745 9.721 1.00 0.00 C ATOM 62 O GLY A 7 11.795 4.318 10.874 1.00 0.00 O ATOM 0 H GLY A 7 13.003 2.388 9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.143 4.806 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.862 3.624 7.902 1.00 0.00 H new ATOM 66 N ASN A 8 11.055 5.811 9.363 1.00 0.00 N ATOM 67 CA ASN A 8 10.256 6.557 10.329 1.00 0.00 C ATOM 68 C ASN A 8 8.776 6.514 9.959 1.00 0.00 C ATOM 69 O ASN A 8 8.423 6.474 8.780 1.00 0.00 O ATOM 70 CB ASN A 8 10.732 8.009 10.404 1.00 0.00 C ATOM 71 CG ASN A 8 12.225 8.115 10.648 1.00 0.00 C ATOM 72 OD1 ASN A 8 12.945 8.763 9.888 1.00 0.00 O ATOM 73 ND2 ASN A 8 12.698 7.477 11.713 1.00 0.00 N ATOM 0 H ASN A 8 11.017 6.177 8.412 1.00 0.00 H new ATOM 0 HA ASN A 8 10.383 6.090 11.306 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.481 8.519 9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.198 8.523 11.204 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.694 7.512 11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.065 6.952 12.316 1.00 0.00 H new ATOM 80 N GLN A 9 7.918 6.524 10.973 1.00 0.00 N ATOM 81 CA GLN A 9 6.477 6.486 10.753 1.00 0.00 C ATOM 82 C GLN A 9 6.080 5.249 9.954 1.00 0.00 C ATOM 83 O GLN A 9 5.305 5.335 9.001 1.00 0.00 O ATOM 84 CB GLN A 9 6.017 7.749 10.022 1.00 0.00 C ATOM 85 CG GLN A 9 5.638 8.887 10.955 1.00 0.00 C ATOM 86 CD GLN A 9 6.838 9.494 11.654 1.00 0.00 C ATOM 87 OE1 GLN A 9 7.437 8.876 12.534 1.00 0.00 O ATOM 88 NE2 GLN A 9 7.197 10.712 11.264 1.00 0.00 N ATOM 0 H GLN A 9 8.195 6.558 11.954 1.00 0.00 H new ATOM 0 HA GLN A 9 5.988 6.440 11.726 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.813 8.085 9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.160 7.504 9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.124 9.662 10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.935 8.520 11.702 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.672 11.188 10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.998 11.171 11.698 1.00 0.00 H new ATOM 97 N LEU A 10 6.615 4.099 10.349 1.00 0.00 N ATOM 98 CA LEU A 10 6.317 2.843 9.669 1.00 0.00 C ATOM 99 C LEU A 10 4.838 2.493 9.795 1.00 0.00 C ATOM 100 O LEU A 10 4.152 2.971 10.699 1.00 0.00 O ATOM 101 CB LEU A 10 7.171 1.713 10.247 1.00 0.00 C ATOM 102 CG LEU A 10 8.527 1.486 9.577 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.344 1.106 8.116 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.398 2.729 9.701 1.00 0.00 C ATOM 0 H LEU A 10 7.257 4.010 11.136 1.00 0.00 H new ATOM 0 HA LEU A 10 6.553 2.965 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.340 1.917 11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.600 0.787 10.189 1.00 0.00 H new ATOM 0 HG LEU A 10 9.028 0.662 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.320 0.949 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.759 0.189 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.822 1.908 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.359 2.550 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.901 3.571 9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.558 2.958 10.755 1.00 0.00 H new ATOM 116 N TRP A 11 4.354 1.656 8.885 1.00 0.00 N ATOM 117 CA TRP A 11 2.956 1.240 8.896 1.00 0.00 C ATOM 118 C TRP A 11 2.634 0.446 10.157 1.00 0.00 C ATOM 119 O TRP A 11 3.475 -0.294 10.669 1.00 0.00 O ATOM 120 CB TRP A 11 2.643 0.401 7.656 1.00 0.00 C ATOM 121 CG TRP A 11 2.449 1.222 6.417 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.416 1.875 5.707 1.00 0.00 C ATOM 123 CD2 TRP A 11 1.212 1.479 5.743 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.854 2.522 4.633 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.504 2.294 4.632 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.113 1.098 5.970 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.518 2.734 3.753 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.090 1.535 5.096 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.771 2.346 3.999 1.00 0.00 C ATOM 0 H TRP A 11 4.908 1.252 8.130 1.00 0.00 H new ATOM 0 HA TRP A 11 2.336 2.136 8.886 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.455 -0.307 7.491 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.742 -0.184 7.840 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.467 1.882 5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.361 3.082 3.947 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.369 0.473 6.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.762 3.359 2.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.117 1.246 5.261 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.558 2.671 3.335 1.00 0.00 H new ATOM 140 N THR A 12 1.411 0.603 10.654 1.00 0.00 N ATOM 141 CA THR A 12 0.979 -0.099 11.856 1.00 0.00 C ATOM 142 C THR A 12 -0.090 -1.136 11.532 1.00 0.00 C ATOM 143 O THR A 12 -0.921 -0.931 10.648 1.00 0.00 O ATOM 144 CB THR A 12 0.426 0.879 12.910 1.00 0.00 C ATOM 145 OG1 THR A 12 0.019 0.161 14.079 1.00 0.00 O ATOM 146 CG2 THR A 12 -0.753 1.664 12.354 1.00 0.00 C ATOM 0 H THR A 12 0.702 1.210 10.242 1.00 0.00 H new ATOM 0 HA THR A 12 1.857 -0.601 12.262 1.00 0.00 H new ATOM 0 HB THR A 12 1.218 1.581 13.173 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.330 0.790 14.745 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.127 2.348 13.116 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.432 2.233 11.482 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.546 0.974 12.066 1.00 0.00 H new ATOM 154 N VAL A 13 -0.063 -2.252 12.254 1.00 0.00 N ATOM 155 CA VAL A 13 -1.031 -3.322 12.045 1.00 0.00 C ATOM 156 C VAL A 13 -2.408 -2.759 11.708 1.00 0.00 C ATOM 157 O VAL A 13 -3.135 -3.321 10.891 1.00 0.00 O ATOM 158 CB VAL A 13 -1.148 -4.225 13.287 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.675 -3.433 14.475 1.00 0.00 C ATOM 160 CG2 VAL A 13 -2.041 -5.421 12.994 1.00 0.00 C ATOM 0 H VAL A 13 0.619 -2.438 12.989 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.669 -3.917 11.206 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.155 -4.596 13.540 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.751 -4.087 15.343 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.992 -2.613 14.697 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.660 -3.031 14.236 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.112 -6.048 13.883 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.035 -5.073 12.715 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.616 -6.000 12.174 1.00 0.00 H new ATOM 170 N GLU A 14 -2.757 -1.645 12.344 1.00 0.00 N ATOM 171 CA GLU A 14 -4.047 -1.006 12.111 1.00 0.00 C ATOM 172 C GLU A 14 -4.225 -0.660 10.636 1.00 0.00 C ATOM 173 O GLU A 14 -5.272 -0.927 10.047 1.00 0.00 O ATOM 174 CB GLU A 14 -4.176 0.259 12.962 1.00 0.00 C ATOM 175 CG GLU A 14 -4.771 0.010 14.337 1.00 0.00 C ATOM 176 CD GLU A 14 -6.205 -0.481 14.273 1.00 0.00 C ATOM 177 OE1 GLU A 14 -7.111 0.360 14.095 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.420 -1.704 14.400 1.00 0.00 O ATOM 0 H GLU A 14 -2.165 -1.167 13.024 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.829 -1.710 12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.191 0.710 13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.797 0.981 12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.163 -0.725 14.864 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.732 0.932 14.918 1.00 0.00 H new ATOM 185 N GLU A 15 -3.194 -0.065 10.045 1.00 0.00 N ATOM 186 CA GLU A 15 -3.236 0.319 8.639 1.00 0.00 C ATOM 187 C GLU A 15 -2.948 -0.879 7.739 1.00 0.00 C ATOM 188 O GLU A 15 -3.555 -1.032 6.679 1.00 0.00 O ATOM 189 CB GLU A 15 -2.227 1.434 8.361 1.00 0.00 C ATOM 190 CG GLU A 15 -2.527 2.726 9.103 1.00 0.00 C ATOM 191 CD GLU A 15 -3.856 3.335 8.701 1.00 0.00 C ATOM 192 OE1 GLU A 15 -4.891 2.926 9.267 1.00 0.00 O ATOM 193 OE2 GLU A 15 -3.861 4.220 7.820 1.00 0.00 O ATOM 0 H GLU A 15 -2.319 0.162 10.518 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.239 0.684 8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.231 1.089 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.208 1.636 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.530 2.532 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.730 3.444 8.911 1.00 0.00 H new ATOM 200 N GLN A 16 -2.018 -1.725 8.170 1.00 0.00 N ATOM 201 CA GLN A 16 -1.648 -2.909 7.403 1.00 0.00 C ATOM 202 C GLN A 16 -2.878 -3.747 7.069 1.00 0.00 C ATOM 203 O GLN A 16 -3.040 -4.208 5.939 1.00 0.00 O ATOM 204 CB GLN A 16 -0.637 -3.752 8.182 1.00 0.00 C ATOM 205 CG GLN A 16 0.805 -3.319 7.974 1.00 0.00 C ATOM 206 CD GLN A 16 1.800 -4.385 8.390 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.630 -5.564 8.080 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.846 -3.974 9.097 1.00 0.00 N ATOM 0 H GLN A 16 -1.507 -1.613 9.046 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.192 -2.579 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.874 -3.698 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.741 -4.795 7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.959 -3.074 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.993 -2.409 8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.947 -2.986 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.549 -4.646 9.406 1.00 0.00 H new ATOM 217 N LYS A 17 -3.742 -3.941 8.059 1.00 0.00 N ATOM 218 CA LYS A 17 -4.958 -4.723 7.872 1.00 0.00 C ATOM 219 C LYS A 17 -6.027 -3.903 7.157 1.00 0.00 C ATOM 220 O LYS A 17 -6.650 -4.372 6.204 1.00 0.00 O ATOM 221 CB LYS A 17 -5.490 -5.209 9.222 1.00 0.00 C ATOM 222 CG LYS A 17 -5.818 -4.083 10.187 1.00 0.00 C ATOM 223 CD LYS A 17 -5.637 -4.516 11.632 1.00 0.00 C ATOM 224 CE LYS A 17 -6.834 -5.311 12.130 1.00 0.00 C ATOM 225 NZ LYS A 17 -6.539 -6.014 13.409 1.00 0.00 N ATOM 0 H LYS A 17 -3.622 -3.567 9.000 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.713 -5.587 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.386 -5.807 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.750 -5.865 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.176 -3.227 9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.846 -3.756 10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.735 -5.121 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.495 -3.637 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.682 -4.641 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.126 -6.040 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.379 -6.544 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.746 -6.672 13.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.285 -5.317 14.138 1.00 0.00 H new ATOM 239 N LYS A 18 -6.235 -2.676 7.623 1.00 0.00 N ATOM 240 CA LYS A 18 -7.227 -1.789 7.027 1.00 0.00 C ATOM 241 C LYS A 18 -7.000 -1.649 5.525 1.00 0.00 C ATOM 242 O LYS A 18 -7.880 -1.961 4.722 1.00 0.00 O ATOM 243 CB LYS A 18 -7.174 -0.412 7.692 1.00 0.00 C ATOM 244 CG LYS A 18 -8.443 0.402 7.506 1.00 0.00 C ATOM 245 CD LYS A 18 -8.563 1.495 8.555 1.00 0.00 C ATOM 246 CE LYS A 18 -9.610 2.528 8.167 1.00 0.00 C ATOM 247 NZ LYS A 18 -9.715 3.618 9.176 1.00 0.00 N ATOM 0 H LYS A 18 -5.729 -2.273 8.412 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.212 -2.226 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.987 -0.540 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.331 0.147 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.447 0.849 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.310 -0.256 7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.826 1.052 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.598 1.985 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.357 2.955 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.578 2.040 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.694 3.677 9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.077 3.417 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.448 4.523 8.738 1.00 0.00 H new ATOM 261 N LEU A 19 -5.814 -1.181 5.152 1.00 0.00 N ATOM 262 CA LEU A 19 -5.471 -1.001 3.746 1.00 0.00 C ATOM 263 C LEU A 19 -5.849 -2.234 2.931 1.00 0.00 C ATOM 264 O LEU A 19 -6.562 -2.135 1.933 1.00 0.00 O ATOM 265 CB LEU A 19 -3.975 -0.718 3.598 1.00 0.00 C ATOM 266 CG LEU A 19 -3.399 -0.867 2.189 1.00 0.00 C ATOM 267 CD1 LEU A 19 -4.047 0.129 1.240 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.888 -0.684 2.208 1.00 0.00 C ATOM 0 H LEU A 19 -5.074 -0.919 5.803 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.036 -0.149 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.782 0.298 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.431 -1.388 4.264 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.618 -1.873 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.625 0.008 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.122 -0.050 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.860 1.143 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.496 -0.793 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.647 0.310 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.438 -1.437 2.855 1.00 0.00 H new ATOM 280 N GLU A 20 -5.367 -3.395 3.365 1.00 0.00 N ATOM 281 CA GLU A 20 -5.657 -4.647 2.676 1.00 0.00 C ATOM 282 C GLU A 20 -7.116 -4.698 2.231 1.00 0.00 C ATOM 283 O GLU A 20 -7.417 -5.091 1.104 1.00 0.00 O ATOM 284 CB GLU A 20 -5.348 -5.838 3.585 1.00 0.00 C ATOM 285 CG GLU A 20 -3.904 -6.306 3.504 1.00 0.00 C ATOM 286 CD GLU A 20 -3.489 -7.126 4.711 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.925 -8.291 4.814 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.728 -6.602 5.551 1.00 0.00 O ATOM 0 H GLU A 20 -4.775 -3.494 4.189 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.023 -4.700 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.576 -5.567 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.005 -6.666 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.769 -6.901 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.249 -5.439 3.415 1.00 0.00 H new ATOM 295 N GLN A 21 -8.015 -4.298 3.124 1.00 0.00 N ATOM 296 CA GLN A 21 -9.442 -4.300 2.824 1.00 0.00 C ATOM 297 C GLN A 21 -9.773 -3.272 1.747 1.00 0.00 C ATOM 298 O GLN A 21 -10.540 -3.549 0.824 1.00 0.00 O ATOM 299 CB GLN A 21 -10.251 -4.010 4.089 1.00 0.00 C ATOM 300 CG GLN A 21 -10.502 -5.240 4.946 1.00 0.00 C ATOM 301 CD GLN A 21 -11.387 -6.261 4.258 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.479 -5.938 3.792 1.00 0.00 O ATOM 303 NE2 GLN A 21 -10.919 -7.501 4.192 1.00 0.00 N ATOM 0 H GLN A 21 -7.781 -3.969 4.061 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.708 -5.289 2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.724 -3.264 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.209 -3.573 3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.548 -5.703 5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.966 -4.936 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.008 -7.724 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.471 -8.231 3.741 1.00 0.00 H new ATOM 312 N LEU A 22 -9.191 -2.084 1.871 1.00 0.00 N ATOM 313 CA LEU A 22 -9.424 -1.013 0.909 1.00 0.00 C ATOM 314 C LEU A 22 -8.925 -1.409 -0.477 1.00 0.00 C ATOM 315 O LEU A 22 -9.677 -1.377 -1.452 1.00 0.00 O ATOM 316 CB LEU A 22 -8.729 0.271 1.367 1.00 0.00 C ATOM 317 CG LEU A 22 -9.397 1.020 2.520 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.358 1.763 3.346 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.449 1.984 1.992 1.00 0.00 C ATOM 0 H LEU A 22 -8.554 -1.838 2.629 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.498 -0.836 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.710 0.023 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.658 0.946 0.514 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.891 0.292 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.851 2.291 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.641 1.051 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.836 2.481 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.914 2.508 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.978 2.707 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.210 1.428 1.444 1.00 0.00 H new ATOM 331 N LEU A 23 -7.653 -1.782 -0.558 1.00 0.00 N ATOM 332 CA LEU A 23 -7.053 -2.186 -1.824 1.00 0.00 C ATOM 333 C LEU A 23 -8.039 -2.996 -2.660 1.00 0.00 C ATOM 334 O LEU A 23 -8.212 -2.742 -3.852 1.00 0.00 O ATOM 335 CB LEU A 23 -5.786 -3.006 -1.573 1.00 0.00 C ATOM 336 CG LEU A 23 -4.482 -2.214 -1.476 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.370 -3.084 -0.910 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.090 -1.663 -2.839 1.00 0.00 C ATOM 0 H LEU A 23 -7.017 -1.813 0.239 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.791 -1.284 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.917 -3.566 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.685 -3.736 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.639 -1.374 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.450 -2.503 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.649 -3.429 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.214 -3.944 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.160 -1.102 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.952 -2.487 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.877 -1.004 -3.205 1.00 0.00 H new ATOM 350 N ILE A 24 -8.683 -3.970 -2.026 1.00 0.00 N ATOM 351 CA ILE A 24 -9.654 -4.814 -2.710 1.00 0.00 C ATOM 352 C ILE A 24 -10.928 -4.039 -3.031 1.00 0.00 C ATOM 353 O ILE A 24 -11.409 -4.054 -4.165 1.00 0.00 O ATOM 354 CB ILE A 24 -10.018 -6.051 -1.867 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.762 -6.862 -1.544 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.037 -6.911 -2.601 1.00 0.00 C ATOM 357 CD1 ILE A 24 -8.932 -7.795 -0.365 1.00 0.00 C ATOM 0 H ILE A 24 -8.550 -4.194 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.187 -5.142 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.462 -5.716 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.480 -7.445 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.939 -6.177 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.284 -7.781 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.940 -6.328 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.618 -7.240 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.002 -8.338 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.184 -7.216 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.733 -8.504 -0.575 1.00 0.00 H new ATOM 369 N LYS A 25 -11.469 -3.359 -2.026 1.00 0.00 N ATOM 370 CA LYS A 25 -12.685 -2.574 -2.200 1.00 0.00 C ATOM 371 C LYS A 25 -12.575 -1.663 -3.418 1.00 0.00 C ATOM 372 O LYS A 25 -13.514 -1.549 -4.207 1.00 0.00 O ATOM 373 CB LYS A 25 -12.960 -1.738 -0.948 1.00 0.00 C ATOM 374 CG LYS A 25 -14.190 -0.854 -1.065 1.00 0.00 C ATOM 375 CD LYS A 25 -14.099 0.353 -0.146 1.00 0.00 C ATOM 376 CE LYS A 25 -15.412 1.119 -0.101 1.00 0.00 C ATOM 377 NZ LYS A 25 -16.448 0.397 0.688 1.00 0.00 N ATOM 0 H LYS A 25 -11.084 -3.336 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.514 -3.264 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.083 -2.406 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.092 -1.113 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.302 -0.520 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.080 -1.433 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.832 0.027 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.303 1.014 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.243 2.103 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.774 1.279 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.274 1.015 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.738 -0.461 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.057 0.133 1.615 1.00 0.00 H new ATOM 391 N TYR A 26 -11.423 -1.019 -3.567 1.00 0.00 N ATOM 392 CA TYR A 26 -11.191 -0.117 -4.689 1.00 0.00 C ATOM 393 C TYR A 26 -10.374 -0.803 -5.779 1.00 0.00 C ATOM 394 O TYR A 26 -9.152 -0.925 -5.691 1.00 0.00 O ATOM 395 CB TYR A 26 -10.471 1.146 -4.215 1.00 0.00 C ATOM 396 CG TYR A 26 -11.354 2.088 -3.428 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.182 2.998 -4.074 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.360 2.068 -2.039 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.990 3.861 -3.359 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.166 2.926 -1.316 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.979 3.821 -1.980 1.00 0.00 C ATOM 402 OH TYR A 26 -13.782 4.678 -1.263 1.00 0.00 O ATOM 0 H TYR A 26 -10.635 -1.105 -2.925 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.159 0.160 -5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.620 0.859 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.073 1.674 -5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.194 3.031 -5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.724 1.370 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.627 4.563 -3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.160 2.896 -0.236 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.842 4.370 -0.334 1.00 0.00 H new ATOM 412 N PRO A 27 -11.064 -1.263 -6.834 1.00 0.00 N ATOM 413 CA PRO A 27 -10.424 -1.944 -7.963 1.00 0.00 C ATOM 414 C PRO A 27 -9.576 -0.997 -8.806 1.00 0.00 C ATOM 415 O PRO A 27 -9.655 0.225 -8.678 1.00 0.00 O ATOM 416 CB PRO A 27 -11.608 -2.470 -8.778 1.00 0.00 C ATOM 417 CG PRO A 27 -12.737 -1.559 -8.437 1.00 0.00 C ATOM 418 CD PRO A 27 -12.523 -1.152 -7.005 1.00 0.00 C ATOM 0 HA PRO A 27 -9.737 -2.723 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.393 -2.451 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.840 -3.503 -8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.748 -0.688 -9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.696 -2.063 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.873 -0.137 -6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.059 -1.805 -6.317 1.00 0.00 H new ATOM 426 N PRO A 28 -8.747 -1.572 -9.689 1.00 0.00 N ATOM 427 CA PRO A 28 -7.869 -0.797 -10.571 1.00 0.00 C ATOM 428 C PRO A 28 -8.646 -0.042 -11.645 1.00 0.00 C ATOM 429 O PRO A 28 -9.416 -0.636 -12.398 1.00 0.00 O ATOM 430 CB PRO A 28 -6.975 -1.864 -11.209 1.00 0.00 C ATOM 431 CG PRO A 28 -7.780 -3.116 -11.151 1.00 0.00 C ATOM 432 CD PRO A 28 -8.601 -3.023 -9.895 1.00 0.00 C ATOM 0 HA PRO A 28 -7.319 -0.030 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.720 -1.604 -12.236 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.036 -1.971 -10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.419 -3.210 -12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.135 -3.994 -11.131 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.568 -3.512 -10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.101 -3.500 -9.052 1.00 0.00 H new ATOM 440 N GLU A 29 -8.438 1.269 -11.707 1.00 0.00 N ATOM 441 CA GLU A 29 -9.121 2.104 -12.689 1.00 0.00 C ATOM 442 C GLU A 29 -8.116 2.805 -13.599 1.00 0.00 C ATOM 443 O GLU A 29 -6.944 2.947 -13.253 1.00 0.00 O ATOM 444 CB GLU A 29 -9.999 3.141 -11.987 1.00 0.00 C ATOM 445 CG GLU A 29 -9.256 3.968 -10.951 1.00 0.00 C ATOM 446 CD GLU A 29 -10.174 4.524 -9.880 1.00 0.00 C ATOM 447 OE1 GLU A 29 -11.271 5.005 -10.231 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.795 4.478 -8.691 1.00 0.00 O ATOM 0 H GLU A 29 -7.803 1.776 -11.090 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.752 1.459 -13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.426 3.809 -12.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.832 2.631 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.489 3.352 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.744 4.792 -11.448 1.00 0.00 H new ATOM 455 N GLU A 30 -8.586 3.240 -14.764 1.00 0.00 N ATOM 456 CA GLU A 30 -7.728 3.925 -15.725 1.00 0.00 C ATOM 457 C GLU A 30 -6.680 4.773 -15.011 1.00 0.00 C ATOM 458 O GLU A 30 -5.488 4.687 -15.308 1.00 0.00 O ATOM 459 CB GLU A 30 -8.567 4.806 -16.653 1.00 0.00 C ATOM 460 CG GLU A 30 -9.362 5.875 -15.923 1.00 0.00 C ATOM 461 CD GLU A 30 -10.270 6.661 -16.849 1.00 0.00 C ATOM 462 OE1 GLU A 30 -11.022 6.030 -17.620 1.00 0.00 O ATOM 463 OE2 GLU A 30 -10.229 7.909 -16.801 1.00 0.00 O ATOM 0 H GLU A 30 -9.554 3.131 -15.065 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.215 3.169 -16.319 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.909 5.286 -17.378 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.255 4.175 -17.216 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.962 5.407 -15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.674 6.560 -15.428 1.00 0.00 H new ATOM 470 N VAL A 31 -7.132 5.592 -14.067 1.00 0.00 N ATOM 471 CA VAL A 31 -6.235 6.456 -13.309 1.00 0.00 C ATOM 472 C VAL A 31 -5.780 5.780 -12.020 1.00 0.00 C ATOM 473 O VAL A 31 -6.585 5.188 -11.302 1.00 0.00 O ATOM 474 CB VAL A 31 -6.906 7.798 -12.963 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.978 8.658 -12.119 1.00 0.00 C ATOM 476 CG2 VAL A 31 -7.318 8.530 -14.232 1.00 0.00 C ATOM 0 H VAL A 31 -8.115 5.675 -13.809 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.368 6.645 -13.942 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.804 7.595 -12.380 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.470 9.602 -11.885 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.738 8.134 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.060 8.855 -12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.791 9.476 -13.969 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.436 8.722 -14.844 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.022 7.916 -14.794 1.00 0.00 H new ATOM 486 N GLU A 32 -4.486 5.875 -11.733 1.00 0.00 N ATOM 487 CA GLU A 32 -3.925 5.272 -10.530 1.00 0.00 C ATOM 488 C GLU A 32 -3.900 6.274 -9.380 1.00 0.00 C ATOM 489 O GLU A 32 -4.041 5.903 -8.215 1.00 0.00 O ATOM 490 CB GLU A 32 -2.510 4.757 -10.803 1.00 0.00 C ATOM 491 CG GLU A 32 -2.129 3.550 -9.962 1.00 0.00 C ATOM 492 CD GLU A 32 -0.659 3.198 -10.079 1.00 0.00 C ATOM 493 OE1 GLU A 32 0.182 4.113 -9.949 1.00 0.00 O ATOM 494 OE2 GLU A 32 -0.348 2.009 -10.300 1.00 0.00 O ATOM 0 H GLU A 32 -3.807 6.363 -12.317 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.560 4.434 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.425 4.496 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.797 5.560 -10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.369 3.749 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.729 2.694 -10.269 1.00 0.00 H new ATOM 501 N SER A 33 -3.719 7.547 -9.716 1.00 0.00 N ATOM 502 CA SER A 33 -3.671 8.604 -8.712 1.00 0.00 C ATOM 503 C SER A 33 -4.955 8.629 -7.888 1.00 0.00 C ATOM 504 O SER A 33 -4.934 8.395 -6.679 1.00 0.00 O ATOM 505 CB SER A 33 -3.456 9.963 -9.382 1.00 0.00 C ATOM 506 OG SER A 33 -3.634 11.021 -8.456 1.00 0.00 O ATOM 0 H SER A 33 -3.603 7.872 -10.676 1.00 0.00 H new ATOM 0 HA SER A 33 -2.834 8.399 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.452 10.009 -9.804 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.155 10.079 -10.210 1.00 0.00 H new ATOM 0 HG SER A 33 -3.490 11.879 -8.908 1.00 0.00 H new ATOM 512 N ARG A 34 -6.071 8.913 -8.551 1.00 0.00 N ATOM 513 CA ARG A 34 -7.364 8.970 -7.880 1.00 0.00 C ATOM 514 C ARG A 34 -7.586 7.728 -7.021 1.00 0.00 C ATOM 515 O ARG A 34 -8.114 7.815 -5.912 1.00 0.00 O ATOM 516 CB ARG A 34 -8.490 9.099 -8.908 1.00 0.00 C ATOM 517 CG ARG A 34 -8.722 7.836 -9.720 1.00 0.00 C ATOM 518 CD ARG A 34 -9.999 7.928 -10.541 1.00 0.00 C ATOM 519 NE ARG A 34 -9.865 8.857 -11.660 1.00 0.00 N ATOM 520 CZ ARG A 34 -10.898 9.430 -12.267 1.00 0.00 C ATOM 521 NH1 ARG A 34 -12.134 9.171 -11.865 1.00 0.00 N ATOM 522 NH2 ARG A 34 -10.695 10.265 -13.278 1.00 0.00 N ATOM 0 H ARG A 34 -6.106 9.107 -9.552 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.370 9.846 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.413 9.363 -8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.258 9.920 -9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.873 7.667 -10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.779 6.977 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.258 6.939 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.820 8.249 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.927 9.078 -11.994 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.294 8.530 -11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.926 9.612 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.745 10.467 -13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.489 10.705 -13.744 1.00 0.00 H new ATOM 536 N ARG A 35 -7.180 6.575 -7.541 1.00 0.00 N ATOM 537 CA ARG A 35 -7.336 5.316 -6.822 1.00 0.00 C ATOM 538 C ARG A 35 -6.702 5.399 -5.437 1.00 0.00 C ATOM 539 O ARG A 35 -7.273 4.926 -4.453 1.00 0.00 O ATOM 540 CB ARG A 35 -6.705 4.170 -7.616 1.00 0.00 C ATOM 541 CG ARG A 35 -6.613 2.868 -6.836 1.00 0.00 C ATOM 542 CD ARG A 35 -5.823 1.816 -7.600 1.00 0.00 C ATOM 543 NE ARG A 35 -5.648 0.593 -6.822 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.161 -0.536 -7.328 1.00 0.00 C ATOM 545 NH1 ARG A 35 -4.804 -0.595 -8.603 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.032 -1.608 -6.557 1.00 0.00 N ATOM 0 H ARG A 35 -6.741 6.486 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.402 5.123 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.289 4.001 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.705 4.466 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.138 3.053 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.616 2.494 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.337 1.582 -8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.846 2.219 -7.867 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.914 0.605 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.903 0.227 -9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.431 -1.462 -8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.307 -1.566 -5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.658 -2.474 -6.946 1.00 0.00 H new ATOM 560 N TRP A 36 -5.521 6.001 -5.367 1.00 0.00 N ATOM 561 CA TRP A 36 -4.809 6.145 -4.102 1.00 0.00 C ATOM 562 C TRP A 36 -5.451 7.223 -3.237 1.00 0.00 C ATOM 563 O TRP A 36 -5.499 7.102 -2.013 1.00 0.00 O ATOM 564 CB TRP A 36 -3.340 6.484 -4.356 1.00 0.00 C ATOM 565 CG TRP A 36 -2.694 5.600 -5.379 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.948 5.997 -6.452 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.738 4.169 -5.426 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.526 4.899 -7.163 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.997 3.767 -6.554 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.329 3.190 -4.624 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.834 2.427 -6.898 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.168 1.861 -4.967 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.424 1.489 -6.095 1.00 0.00 C ATOM 0 H TRP A 36 -5.035 6.398 -6.171 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.868 5.196 -3.570 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.265 7.521 -4.683 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.789 6.405 -3.419 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.723 7.023 -6.705 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.955 4.924 -8.008 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.902 3.467 -3.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.262 2.139 -7.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.623 1.096 -4.355 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.314 0.442 -6.335 1.00 0.00 H new ATOM 584 N GLN A 37 -5.943 8.277 -3.880 1.00 0.00 N ATOM 585 CA GLN A 37 -6.582 9.377 -3.167 1.00 0.00 C ATOM 586 C GLN A 37 -7.762 8.878 -2.341 1.00 0.00 C ATOM 587 O GLN A 37 -7.999 9.350 -1.228 1.00 0.00 O ATOM 588 CB GLN A 37 -7.051 10.448 -4.153 1.00 0.00 C ATOM 589 CG GLN A 37 -7.346 11.789 -3.501 1.00 0.00 C ATOM 590 CD GLN A 37 -6.099 12.468 -2.971 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.653 12.051 -1.792 1.00 0.00 O flip ATOM 592 NE2 GLN A 37 -5.541 13.357 -3.614 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.911 8.393 -4.893 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.847 9.813 -2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.286 10.586 -4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.949 10.095 -4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.830 12.443 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.051 11.643 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.918 13.647 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.702 13.804 -3.244 1.00 0.00 H new ATOM 601 N LYS A 38 -8.501 7.921 -2.891 1.00 0.00 N ATOM 602 CA LYS A 38 -9.657 7.355 -2.206 1.00 0.00 C ATOM 603 C LYS A 38 -9.223 6.525 -1.002 1.00 0.00 C ATOM 604 O LYS A 38 -9.578 6.833 0.136 1.00 0.00 O ATOM 605 CB LYS A 38 -10.473 6.490 -3.168 1.00 0.00 C ATOM 606 CG LYS A 38 -11.212 7.289 -4.228 1.00 0.00 C ATOM 607 CD LYS A 38 -11.912 6.381 -5.224 1.00 0.00 C ATOM 608 CE LYS A 38 -12.016 7.032 -6.595 1.00 0.00 C ATOM 609 NZ LYS A 38 -13.128 6.456 -7.400 1.00 0.00 N ATOM 0 H LYS A 38 -8.319 7.520 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.278 8.178 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.807 5.780 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.195 5.907 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.945 7.939 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.509 7.934 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.366 5.441 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.910 6.139 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.171 8.104 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.075 6.903 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.165 6.926 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.968 5.437 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.029 6.602 -6.901 1.00 0.00 H new ATOM 623 N ILE A 39 -8.454 5.473 -1.260 1.00 0.00 N ATOM 624 CA ILE A 39 -7.970 4.601 -0.197 1.00 0.00 C ATOM 625 C ILE A 39 -7.429 5.412 0.975 1.00 0.00 C ATOM 626 O ILE A 39 -7.764 5.151 2.130 1.00 0.00 O ATOM 627 CB ILE A 39 -6.867 3.654 -0.704 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.449 2.641 -1.693 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.203 2.941 0.464 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.417 2.045 -2.625 1.00 0.00 C ATOM 0 H ILE A 39 -8.153 5.204 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.821 4.008 0.137 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.111 4.245 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.931 1.837 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.224 3.128 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.426 2.275 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.759 3.677 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.948 2.359 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.900 1.336 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.952 2.839 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.654 1.529 -2.041 1.00 0.00 H new ATOM 642 N ALA A 40 -6.592 6.398 0.670 1.00 0.00 N ATOM 643 CA ALA A 40 -6.008 7.250 1.697 1.00 0.00 C ATOM 644 C ALA A 40 -7.083 8.048 2.427 1.00 0.00 C ATOM 645 O ALA A 40 -7.359 7.806 3.602 1.00 0.00 O ATOM 646 CB ALA A 40 -4.978 8.188 1.083 1.00 0.00 C ATOM 0 H ALA A 40 -6.303 6.626 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.511 6.609 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.550 8.819 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.187 7.603 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.459 8.815 0.332 1.00 0.00 H new ATOM 652 N ASP A 41 -7.688 8.998 1.723 1.00 0.00 N ATOM 653 CA ASP A 41 -8.734 9.831 2.304 1.00 0.00 C ATOM 654 C ASP A 41 -9.714 8.987 3.114 1.00 0.00 C ATOM 655 O ASP A 41 -10.329 9.473 4.062 1.00 0.00 O ATOM 656 CB ASP A 41 -9.481 10.589 1.206 1.00 0.00 C ATOM 657 CG ASP A 41 -8.880 11.954 0.932 1.00 0.00 C ATOM 658 OD1 ASP A 41 -9.029 12.850 1.788 1.00 0.00 O ATOM 659 OD2 ASP A 41 -8.261 12.125 -0.139 1.00 0.00 O ATOM 0 H ASP A 41 -7.472 9.210 0.749 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.262 10.550 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.469 10.000 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.525 10.707 1.496 1.00 0.00 H new ATOM 664 N GLU A 42 -9.854 7.722 2.731 1.00 0.00 N ATOM 665 CA GLU A 42 -10.761 6.812 3.421 1.00 0.00 C ATOM 666 C GLU A 42 -10.218 6.444 4.799 1.00 0.00 C ATOM 667 O GLU A 42 -10.965 6.383 5.776 1.00 0.00 O ATOM 668 CB GLU A 42 -10.976 5.545 2.590 1.00 0.00 C ATOM 669 CG GLU A 42 -11.993 5.714 1.475 1.00 0.00 C ATOM 670 CD GLU A 42 -13.375 6.063 1.993 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.643 7.265 2.202 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.187 5.135 2.189 1.00 0.00 O ATOM 0 H GLU A 42 -9.352 7.304 1.948 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.717 7.320 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.023 5.238 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.302 4.740 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.655 6.497 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.048 4.792 0.896 1.00 0.00 H new ATOM 679 N LEU A 43 -8.914 6.199 4.868 1.00 0.00 N ATOM 680 CA LEU A 43 -8.270 5.836 6.126 1.00 0.00 C ATOM 681 C LEU A 43 -8.391 6.965 7.145 1.00 0.00 C ATOM 682 O LEU A 43 -8.920 6.774 8.239 1.00 0.00 O ATOM 683 CB LEU A 43 -6.796 5.503 5.889 1.00 0.00 C ATOM 684 CG LEU A 43 -6.513 4.175 5.186 1.00 0.00 C ATOM 685 CD1 LEU A 43 -5.231 4.264 4.374 1.00 0.00 C ATOM 686 CD2 LEU A 43 -6.427 3.043 6.200 1.00 0.00 C ATOM 0 H LEU A 43 -8.282 6.245 4.068 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.775 4.956 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.353 6.305 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.286 5.497 6.852 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.337 3.964 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.046 3.310 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.330 5.048 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.397 4.499 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.225 2.105 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.623 3.248 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.372 2.964 6.738 1.00 0.00 H new ATOM 698 N GLY A 44 -7.898 8.144 6.776 1.00 0.00 N ATOM 699 CA GLY A 44 -7.962 9.287 7.668 1.00 0.00 C ATOM 700 C GLY A 44 -6.589 9.788 8.068 1.00 0.00 C ATOM 701 O GLY A 44 -6.409 10.974 8.340 1.00 0.00 O ATOM 0 H GLY A 44 -7.456 8.328 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.512 10.093 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.521 9.014 8.563 1.00 0.00 H new ATOM 705 N ASN A 45 -5.617 8.881 8.105 1.00 0.00 N ATOM 706 CA ASN A 45 -4.253 9.238 8.477 1.00 0.00 C ATOM 707 C ASN A 45 -3.329 9.192 7.264 1.00 0.00 C ATOM 708 O ASN A 45 -2.676 10.182 6.930 1.00 0.00 O ATOM 709 CB ASN A 45 -3.735 8.293 9.563 1.00 0.00 C ATOM 710 CG ASN A 45 -4.738 8.093 10.682 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.852 7.620 10.455 1.00 0.00 O ATOM 712 ND2 ASN A 45 -4.347 8.454 11.899 1.00 0.00 N ATOM 0 H ASN A 45 -5.749 7.894 7.882 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.263 10.256 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.495 7.328 9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.809 8.692 9.976 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.979 8.343 12.692 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.414 8.842 12.041 1.00 0.00 H new ATOM 719 N ARG A 46 -3.279 8.037 6.608 1.00 0.00 N ATOM 720 CA ARG A 46 -2.435 7.862 5.432 1.00 0.00 C ATOM 721 C ARG A 46 -2.837 8.832 4.325 1.00 0.00 C ATOM 722 O ARG A 46 -3.864 9.505 4.416 1.00 0.00 O ATOM 723 CB ARG A 46 -2.526 6.423 4.923 1.00 0.00 C ATOM 724 CG ARG A 46 -1.754 5.426 5.772 1.00 0.00 C ATOM 725 CD ARG A 46 -0.252 5.596 5.603 1.00 0.00 C ATOM 726 NE ARG A 46 0.480 5.228 6.812 1.00 0.00 N ATOM 727 CZ ARG A 46 1.756 4.861 6.815 1.00 0.00 C ATOM 728 NH1 ARG A 46 2.439 4.814 5.679 1.00 0.00 N ATOM 729 NH2 ARG A 46 2.353 4.541 7.956 1.00 0.00 N ATOM 0 H ARG A 46 -3.813 7.209 6.871 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.405 8.074 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.574 6.124 4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.151 6.384 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.020 5.556 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.040 4.412 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.091 4.982 4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.031 6.632 5.347 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.016 5.254 7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.984 5.060 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.419 4.532 5.685 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.832 4.577 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.333 4.259 7.957 1.00 0.00 H new ATOM 743 N THR A 47 -2.019 8.899 3.278 1.00 0.00 N ATOM 744 CA THR A 47 -2.288 9.787 2.154 1.00 0.00 C ATOM 745 C THR A 47 -2.082 9.069 0.825 1.00 0.00 C ATOM 746 O THR A 47 -1.343 8.088 0.747 1.00 0.00 O ATOM 747 CB THR A 47 -1.387 11.035 2.196 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.081 10.713 1.706 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.282 11.579 3.613 1.00 0.00 C ATOM 0 H THR A 47 -1.165 8.349 3.186 1.00 0.00 H new ATOM 0 HA THR A 47 -3.329 10.097 2.238 1.00 0.00 H new ATOM 0 HB THR A 47 -1.834 11.800 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.485 11.512 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.641 12.460 3.618 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.274 11.850 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.856 10.816 4.265 1.00 0.00 H new ATOM 757 N ALA A 48 -2.739 9.565 -0.218 1.00 0.00 N ATOM 758 CA ALA A 48 -2.624 8.973 -1.545 1.00 0.00 C ATOM 759 C ALA A 48 -1.209 8.465 -1.799 1.00 0.00 C ATOM 760 O ALA A 48 -1.017 7.379 -2.347 1.00 0.00 O ATOM 761 CB ALA A 48 -3.024 9.982 -2.610 1.00 0.00 C ATOM 0 H ALA A 48 -3.357 10.375 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.302 8.121 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.933 9.526 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.056 10.293 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.370 10.852 -2.551 1.00 0.00 H new ATOM 767 N LYS A 49 -0.220 9.257 -1.399 1.00 0.00 N ATOM 768 CA LYS A 49 1.178 8.888 -1.582 1.00 0.00 C ATOM 769 C LYS A 49 1.523 7.642 -0.774 1.00 0.00 C ATOM 770 O LYS A 49 1.753 6.571 -1.336 1.00 0.00 O ATOM 771 CB LYS A 49 2.091 10.045 -1.169 1.00 0.00 C ATOM 772 CG LYS A 49 3.385 10.112 -1.960 1.00 0.00 C ATOM 773 CD LYS A 49 4.410 9.119 -1.438 1.00 0.00 C ATOM 774 CE LYS A 49 5.360 8.669 -2.537 1.00 0.00 C ATOM 775 NZ LYS A 49 4.829 7.495 -3.284 1.00 0.00 N ATOM 0 H LYS A 49 -0.361 10.160 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 49 1.334 8.669 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.551 10.984 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.328 9.949 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.181 9.907 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.794 11.121 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.979 9.574 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.898 8.252 -1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.530 9.493 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.326 8.415 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.554 7.146 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.579 6.741 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.983 7.777 -3.819 1.00 0.00 H new ATOM 789 N GLN A 50 1.555 7.788 0.547 1.00 0.00 N ATOM 790 CA GLN A 50 1.871 6.673 1.431 1.00 0.00 C ATOM 791 C GLN A 50 1.277 5.372 0.900 1.00 0.00 C ATOM 792 O GLN A 50 1.939 4.334 0.891 1.00 0.00 O ATOM 793 CB GLN A 50 1.347 6.948 2.841 1.00 0.00 C ATOM 794 CG GLN A 50 2.260 7.840 3.666 1.00 0.00 C ATOM 795 CD GLN A 50 3.728 7.521 3.462 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.141 6.364 3.547 1.00 0.00 O ATOM 797 NE2 GLN A 50 4.525 8.548 3.191 1.00 0.00 N ATOM 0 H GLN A 50 1.366 8.667 1.028 1.00 0.00 H new ATOM 0 HA GLN A 50 2.955 6.568 1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.364 7.415 2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.213 6.000 3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.079 8.882 3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.012 7.730 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.140 9.490 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.523 8.394 3.044 1.00 0.00 H new ATOM 806 N VAL A 51 0.025 5.436 0.458 1.00 0.00 N ATOM 807 CA VAL A 51 -0.658 4.263 -0.075 1.00 0.00 C ATOM 808 C VAL A 51 0.085 3.695 -1.279 1.00 0.00 C ATOM 809 O VAL A 51 0.415 2.510 -1.315 1.00 0.00 O ATOM 810 CB VAL A 51 -2.104 4.595 -0.487 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.787 3.369 -1.073 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.886 5.135 0.701 1.00 0.00 C ATOM 0 H VAL A 51 -0.537 6.287 0.458 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.677 3.518 0.721 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.076 5.368 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.808 3.623 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.238 3.032 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.806 2.572 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.906 5.364 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.907 4.387 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.407 6.041 1.071 1.00 0.00 H new ATOM 822 N ALA A 52 0.344 4.549 -2.264 1.00 0.00 N ATOM 823 CA ALA A 52 1.051 4.133 -3.469 1.00 0.00 C ATOM 824 C ALA A 52 2.299 3.327 -3.124 1.00 0.00 C ATOM 825 O ALA A 52 2.413 2.156 -3.485 1.00 0.00 O ATOM 826 CB ALA A 52 1.419 5.346 -4.311 1.00 0.00 C ATOM 0 H ALA A 52 0.075 5.533 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 52 0.385 3.492 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.946 5.020 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.512 5.879 -4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.062 6.009 -3.732 1.00 0.00 H new ATOM 832 N SER A 53 3.232 3.963 -2.423 1.00 0.00 N ATOM 833 CA SER A 53 4.475 3.307 -2.033 1.00 0.00 C ATOM 834 C SER A 53 4.198 1.931 -1.435 1.00 0.00 C ATOM 835 O SER A 53 4.770 0.930 -1.864 1.00 0.00 O ATOM 836 CB SER A 53 5.238 4.170 -1.026 1.00 0.00 C ATOM 837 OG SER A 53 4.480 4.364 0.156 1.00 0.00 O ATOM 0 H SER A 53 3.151 4.932 -2.113 1.00 0.00 H new ATOM 0 HA SER A 53 5.086 3.179 -2.927 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.187 3.694 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.473 5.136 -1.474 1.00 0.00 H new ATOM 0 HG SER A 53 3.545 4.540 -0.080 1.00 0.00 H new ATOM 843 N GLN A 54 3.316 1.892 -0.441 1.00 0.00 N ATOM 844 CA GLN A 54 2.963 0.639 0.217 1.00 0.00 C ATOM 845 C GLN A 54 2.497 -0.397 -0.799 1.00 0.00 C ATOM 846 O GLN A 54 3.048 -1.495 -0.879 1.00 0.00 O ATOM 847 CB GLN A 54 1.870 0.877 1.260 1.00 0.00 C ATOM 848 CG GLN A 54 1.632 -0.313 2.175 1.00 0.00 C ATOM 849 CD GLN A 54 2.922 -0.900 2.715 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.629 -1.624 2.013 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.234 -0.591 3.968 1.00 0.00 N ATOM 0 H GLN A 54 2.833 2.712 -0.074 1.00 0.00 H new ATOM 0 HA GLN A 54 3.853 0.256 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.140 1.742 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.939 1.123 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.000 -0.005 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.087 -1.083 1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.618 0.013 4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.089 -0.957 4.386 1.00 0.00 H new ATOM 860 N VAL A 55 1.477 -0.042 -1.574 1.00 0.00 N ATOM 861 CA VAL A 55 0.936 -0.941 -2.587 1.00 0.00 C ATOM 862 C VAL A 55 2.044 -1.754 -3.248 1.00 0.00 C ATOM 863 O VAL A 55 1.980 -2.981 -3.299 1.00 0.00 O ATOM 864 CB VAL A 55 0.166 -0.166 -3.672 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.354 -1.117 -4.740 1.00 0.00 C ATOM 866 CG2 VAL A 55 -0.975 0.626 -3.051 1.00 0.00 C ATOM 0 H VAL A 55 1.008 0.862 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 55 0.249 -1.616 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 55 0.850 0.537 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.896 -0.551 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.484 -1.636 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.024 -1.846 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.509 1.168 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.661 -0.057 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.574 1.335 -2.327 1.00 0.00 H new ATOM 876 N GLN A 56 3.059 -1.059 -3.753 1.00 0.00 N ATOM 877 CA GLN A 56 4.181 -1.717 -4.412 1.00 0.00 C ATOM 878 C GLN A 56 4.850 -2.719 -3.477 1.00 0.00 C ATOM 879 O GLN A 56 5.236 -3.812 -3.893 1.00 0.00 O ATOM 880 CB GLN A 56 5.202 -0.680 -4.883 1.00 0.00 C ATOM 881 CG GLN A 56 4.640 0.316 -5.884 1.00 0.00 C ATOM 882 CD GLN A 56 5.639 1.394 -6.257 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.381 1.890 -5.408 1.00 0.00 O ATOM 884 NE2 GLN A 56 5.662 1.765 -7.532 1.00 0.00 N ATOM 0 H GLN A 56 3.127 -0.042 -3.718 1.00 0.00 H new ATOM 0 HA GLN A 56 3.796 -2.257 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.582 -0.137 -4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.050 -1.196 -5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.330 -0.215 -6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.748 0.782 -5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.029 1.327 -8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.312 2.487 -7.841 1.00 0.00 H new ATOM 893 N LYS A 57 4.985 -2.340 -2.210 1.00 0.00 N ATOM 894 CA LYS A 57 5.606 -3.205 -1.214 1.00 0.00 C ATOM 895 C LYS A 57 4.643 -4.299 -0.767 1.00 0.00 C ATOM 896 O LYS A 57 4.920 -5.034 0.182 1.00 0.00 O ATOM 897 CB LYS A 57 6.058 -2.382 -0.005 1.00 0.00 C ATOM 898 CG LYS A 57 7.481 -1.865 -0.118 1.00 0.00 C ATOM 899 CD LYS A 57 8.480 -2.849 0.466 1.00 0.00 C ATOM 900 CE LYS A 57 9.700 -2.137 1.030 1.00 0.00 C ATOM 901 NZ LYS A 57 10.581 -3.064 1.793 1.00 0.00 N ATOM 0 H LYS A 57 4.672 -1.439 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 57 6.476 -3.677 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.382 -1.536 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.973 -2.994 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.720 -1.681 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.564 -0.910 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.001 -3.431 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.793 -3.553 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.266 -1.687 0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.377 -1.325 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.401 -2.540 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.048 -3.475 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.910 -3.825 1.166 1.00 0.00 H new ATOM 915 N TYR A 58 3.512 -4.403 -1.456 1.00 0.00 N ATOM 916 CA TYR A 58 2.507 -5.408 -1.128 1.00 0.00 C ATOM 917 C TYR A 58 2.348 -6.411 -2.267 1.00 0.00 C ATOM 918 O TYR A 58 2.355 -7.622 -2.049 1.00 0.00 O ATOM 919 CB TYR A 58 1.164 -4.739 -0.832 1.00 0.00 C ATOM 920 CG TYR A 58 0.995 -4.335 0.616 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.097 -4.025 1.404 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.265 -4.265 1.195 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.948 -3.657 2.727 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.424 -3.896 2.517 1.00 0.00 C ATOM 925 CZ TYR A 58 0.685 -3.593 3.279 1.00 0.00 C ATOM 926 OH TYR A 58 0.531 -3.226 4.596 1.00 0.00 O ATOM 0 H TYR A 58 3.268 -3.804 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 58 2.842 -5.944 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.061 -3.855 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.359 -5.421 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.087 -4.073 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.136 -4.503 0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.815 -3.421 3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.411 -3.845 2.951 1.00 0.00 H new ATOM 0 HH TYR A 58 1.255 -2.617 4.853 1.00 0.00 H new ATOM 936 N PHE A 59 2.205 -5.896 -3.484 1.00 0.00 N ATOM 937 CA PHE A 59 2.044 -6.745 -4.659 1.00 0.00 C ATOM 938 C PHE A 59 3.395 -7.053 -5.297 1.00 0.00 C ATOM 939 O PHE A 59 3.721 -8.212 -5.555 1.00 0.00 O ATOM 940 CB PHE A 59 1.127 -6.069 -5.680 1.00 0.00 C ATOM 941 CG PHE A 59 -0.277 -5.868 -5.186 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.523 -5.125 -4.042 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.351 -6.420 -5.865 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.813 -4.939 -3.584 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.644 -6.237 -5.412 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.875 -5.495 -4.271 1.00 0.00 C ATOM 0 H PHE A 59 2.197 -4.895 -3.682 1.00 0.00 H new ATOM 0 HA PHE A 59 1.591 -7.684 -4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.550 -5.102 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.101 -6.672 -6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.303 -4.686 -3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.176 -7.000 -6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.991 -4.360 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.472 -6.674 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.884 -5.349 -3.916 1.00 0.00 H new ATOM 956 N ILE A 60 4.176 -6.008 -5.547 1.00 0.00 N ATOM 957 CA ILE A 60 5.492 -6.167 -6.154 1.00 0.00 C ATOM 958 C ILE A 60 6.462 -6.848 -5.194 1.00 0.00 C ATOM 959 O ILE A 60 7.305 -7.644 -5.607 1.00 0.00 O ATOM 960 CB ILE A 60 6.081 -4.810 -6.585 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.026 -3.983 -7.322 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.306 -5.019 -7.462 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.549 -2.663 -7.844 1.00 0.00 C ATOM 0 H ILE A 60 3.921 -5.043 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 60 5.359 -6.793 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 60 6.386 -4.263 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.637 -4.566 -8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.190 -3.793 -6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.711 -4.051 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.062 -5.573 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.025 -5.582 -8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.747 -2.130 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.912 -2.060 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.366 -2.846 -8.542 1.00 0.00 H new ATOM 975 N LYS A 61 6.335 -6.530 -3.911 1.00 0.00 N ATOM 976 CA LYS A 61 7.198 -7.112 -2.889 1.00 0.00 C ATOM 977 C LYS A 61 7.256 -8.630 -3.027 1.00 0.00 C ATOM 978 O LYS A 61 8.248 -9.260 -2.657 1.00 0.00 O ATOM 979 CB LYS A 61 6.696 -6.735 -1.493 1.00 0.00 C ATOM 980 CG LYS A 61 5.441 -7.482 -1.076 1.00 0.00 C ATOM 981 CD LYS A 61 5.385 -7.682 0.429 1.00 0.00 C ATOM 982 CE LYS A 61 6.048 -8.987 0.842 1.00 0.00 C ATOM 983 NZ LYS A 61 5.232 -10.171 0.453 1.00 0.00 N ATOM 0 H LYS A 61 5.643 -5.872 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 61 8.203 -6.713 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.485 -6.933 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.497 -5.664 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.561 -6.928 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.411 -8.451 -1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.879 -6.848 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.346 -7.680 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.032 -9.057 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.202 -8.991 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.530 -10.996 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.227 -9.975 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.369 -10.370 -0.559 1.00 0.00 H new ATOM 997 N LEU A 62 6.189 -9.212 -3.564 1.00 0.00 N ATOM 998 CA LEU A 62 6.120 -10.657 -3.753 1.00 0.00 C ATOM 999 C LEU A 62 7.323 -11.161 -4.544 1.00 0.00 C ATOM 1000 O LEU A 62 7.791 -12.281 -4.337 1.00 0.00 O ATOM 1001 CB LEU A 62 4.825 -11.035 -4.475 1.00 0.00 C ATOM 1002 CG LEU A 62 3.536 -10.872 -3.670 1.00 0.00 C ATOM 1003 CD1 LEU A 62 2.322 -10.970 -4.581 1.00 0.00 C ATOM 1004 CD2 LEU A 62 3.461 -11.916 -2.565 1.00 0.00 C ATOM 0 H LEU A 62 5.360 -8.706 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 62 6.132 -11.128 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.745 -10.429 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.901 -12.074 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 62 3.541 -9.884 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.413 -10.852 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.369 -10.185 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.312 -11.944 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.537 -11.785 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.479 -12.913 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.313 -11.799 -1.895 1.00 0.00 H new ATOM 1016 N THR A 63 7.820 -10.326 -5.451 1.00 0.00 N ATOM 1017 CA THR A 63 8.969 -10.686 -6.273 1.00 0.00 C ATOM 1018 C THR A 63 10.038 -11.391 -5.445 1.00 0.00 C ATOM 1019 O THR A 63 10.855 -12.142 -5.977 1.00 0.00 O ATOM 1020 CB THR A 63 9.591 -9.446 -6.944 1.00 0.00 C ATOM 1021 OG1 THR A 63 10.635 -9.845 -7.837 1.00 0.00 O ATOM 1022 CG2 THR A 63 10.146 -8.488 -5.901 1.00 0.00 C ATOM 0 H THR A 63 7.445 -9.396 -5.635 1.00 0.00 H new ATOM 0 HA THR A 63 8.605 -11.364 -7.045 1.00 0.00 H new ATOM 0 HB THR A 63 8.810 -8.933 -7.506 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.024 -9.052 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.580 -7.620 -6.398 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.342 -8.163 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.915 -8.993 -5.316 1.00 0.00 H new ATOM 1030 N LYS A 64 10.026 -11.145 -4.139 1.00 0.00 N ATOM 1031 CA LYS A 64 10.993 -11.758 -3.236 1.00 0.00 C ATOM 1032 C LYS A 64 12.419 -11.515 -3.720 1.00 0.00 C ATOM 1033 O LYS A 64 13.242 -12.430 -3.740 1.00 0.00 O ATOM 1034 CB LYS A 64 10.732 -13.261 -3.120 1.00 0.00 C ATOM 1035 CG LYS A 64 9.764 -13.627 -2.008 1.00 0.00 C ATOM 1036 CD LYS A 64 9.857 -15.100 -1.648 1.00 0.00 C ATOM 1037 CE LYS A 64 9.116 -15.967 -2.654 1.00 0.00 C ATOM 1038 NZ LYS A 64 8.862 -17.336 -2.124 1.00 0.00 N ATOM 0 H LYS A 64 9.357 -10.525 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 64 10.878 -11.299 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.338 -13.627 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.679 -13.773 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.976 -13.022 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.746 -13.391 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.904 -15.401 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.442 -15.259 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.168 -15.495 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.698 -16.035 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.355 -17.896 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.768 -17.796 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.285 -17.273 -1.261 1.00 0.00 H new ATOM 1052 N ALA A 65 12.705 -10.276 -4.107 1.00 0.00 N ATOM 1053 CA ALA A 65 14.032 -9.913 -4.586 1.00 0.00 C ATOM 1054 C ALA A 65 14.354 -8.458 -4.261 1.00 0.00 C ATOM 1055 O ALA A 65 13.562 -7.559 -4.541 1.00 0.00 O ATOM 1056 CB ALA A 65 14.137 -10.157 -6.085 1.00 0.00 C ATOM 0 H ALA A 65 12.035 -9.507 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 65 14.761 -10.542 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.134 -9.881 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.959 -11.212 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.394 -9.553 -6.605 1.00 0.00 H new ATOM 1062 N GLY A 66 15.523 -8.234 -3.668 1.00 0.00 N ATOM 1063 CA GLY A 66 15.928 -6.886 -3.314 1.00 0.00 C ATOM 1064 C GLY A 66 15.436 -6.474 -1.940 1.00 0.00 C ATOM 1065 O GLY A 66 16.149 -5.803 -1.194 1.00 0.00 O ATOM 0 H GLY A 66 16.196 -8.961 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.015 -6.817 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.545 -6.188 -4.058 1.00 0.00 H new ATOM 1069 N ILE A 67 14.215 -6.876 -1.606 1.00 0.00 N ATOM 1070 CA ILE A 67 13.629 -6.545 -0.314 1.00 0.00 C ATOM 1071 C ILE A 67 14.605 -6.831 0.822 1.00 0.00 C ATOM 1072 O ILE A 67 15.257 -7.875 0.865 1.00 0.00 O ATOM 1073 CB ILE A 67 12.327 -7.330 -0.067 1.00 0.00 C ATOM 1074 CG1 ILE A 67 11.300 -7.011 -1.155 1.00 0.00 C ATOM 1075 CG2 ILE A 67 11.767 -7.008 1.310 1.00 0.00 C ATOM 1076 CD1 ILE A 67 11.445 -7.867 -2.393 1.00 0.00 C ATOM 0 H ILE A 67 13.612 -7.432 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 67 13.402 -5.479 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 67 12.550 -8.396 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.298 -7.143 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 67 11.394 -5.962 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.847 -7.571 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.496 -7.282 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.556 -5.941 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.684 -7.585 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.434 -7.717 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.321 -8.917 -2.126 1.00 0.00 H new ATOM 1088 N PRO A 68 14.708 -5.885 1.767 1.00 0.00 N ATOM 1089 CA PRO A 68 15.600 -6.014 2.923 1.00 0.00 C ATOM 1090 C PRO A 68 15.127 -7.080 3.904 1.00 0.00 C ATOM 1091 O PRO A 68 14.025 -6.994 4.447 1.00 0.00 O ATOM 1092 CB PRO A 68 15.544 -4.628 3.571 1.00 0.00 C ATOM 1093 CG PRO A 68 14.227 -4.069 3.155 1.00 0.00 C ATOM 1094 CD PRO A 68 13.960 -4.616 1.780 1.00 0.00 C ATOM 0 HA PRO A 68 16.604 -6.323 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.621 -4.695 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.366 -3.999 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.441 -4.363 3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 68 14.252 -2.979 3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.895 -4.775 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 68 14.308 -3.936 1.002 1.00 0.00 H new ATOM 1102 N VAL A 69 15.968 -8.085 4.129 1.00 0.00 N ATOM 1103 CA VAL A 69 15.636 -9.168 5.047 1.00 0.00 C ATOM 1104 C VAL A 69 14.868 -8.647 6.257 1.00 0.00 C ATOM 1105 O VAL A 69 15.138 -7.554 6.753 1.00 0.00 O ATOM 1106 CB VAL A 69 16.901 -9.900 5.533 1.00 0.00 C ATOM 1107 CG1 VAL A 69 16.546 -10.942 6.583 1.00 0.00 C ATOM 1108 CG2 VAL A 69 17.629 -10.540 4.360 1.00 0.00 C ATOM 0 H VAL A 69 16.884 -8.171 3.688 1.00 0.00 H new ATOM 0 HA VAL A 69 15.009 -9.869 4.496 1.00 0.00 H new ATOM 0 HB VAL A 69 17.568 -9.170 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 69 17.453 -11.448 6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 69 16.072 -10.454 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.859 -11.671 6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 69 18.520 -11.053 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.970 -11.258 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 69 17.918 -9.768 3.647 1.00 0.00 H new ATOM 1118 N SER A 70 13.909 -9.439 6.728 1.00 0.00 N ATOM 1119 CA SER A 70 13.099 -9.056 7.878 1.00 0.00 C ATOM 1120 C SER A 70 12.874 -10.247 8.805 1.00 0.00 C ATOM 1121 O SER A 70 12.977 -11.400 8.388 1.00 0.00 O ATOM 1122 CB SER A 70 11.753 -8.494 7.416 1.00 0.00 C ATOM 1123 OG SER A 70 11.932 -7.411 6.520 1.00 0.00 O ATOM 0 H SER A 70 13.675 -10.349 6.331 1.00 0.00 H new ATOM 0 HA SER A 70 13.637 -8.285 8.429 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.175 -9.280 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.178 -8.163 8.281 1.00 0.00 H new ATOM 0 HG SER A 70 11.057 -7.071 6.239 1.00 0.00 H new ATOM 1129 N GLY A 71 12.567 -9.958 10.066 1.00 0.00 N ATOM 1130 CA GLY A 71 12.334 -11.015 11.033 1.00 0.00 C ATOM 1131 C GLY A 71 10.874 -11.418 11.110 1.00 0.00 C ATOM 1132 O GLY A 71 9.972 -10.600 10.928 1.00 0.00 O ATOM 0 H GLY A 71 12.476 -9.011 10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.935 -11.885 10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.669 -10.684 12.016 1.00 0.00 H new ATOM 1136 N PRO A 72 10.626 -12.708 11.383 1.00 0.00 N ATOM 1137 CA PRO A 72 9.267 -13.247 11.488 1.00 0.00 C ATOM 1138 C PRO A 72 8.537 -12.743 12.728 1.00 0.00 C ATOM 1139 O PRO A 72 9.064 -12.807 13.839 1.00 0.00 O ATOM 1140 CB PRO A 72 9.492 -14.759 11.578 1.00 0.00 C ATOM 1141 CG PRO A 72 10.865 -14.905 12.137 1.00 0.00 C ATOM 1142 CD PRO A 72 11.653 -13.738 11.611 1.00 0.00 C ATOM 0 HA PRO A 72 8.642 -12.944 10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.750 -15.232 12.222 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.411 -15.230 10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.845 -14.903 13.227 1.00 0.00 H new ATOM 0 HG3 PRO A 72 11.313 -15.849 11.829 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.404 -13.405 12.327 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.180 -13.991 10.691 1.00 0.00 H new ATOM 1150 N SER A 73 7.322 -12.241 12.531 1.00 0.00 N ATOM 1151 CA SER A 73 6.522 -11.722 13.634 1.00 0.00 C ATOM 1152 C SER A 73 6.502 -12.705 14.800 1.00 0.00 C ATOM 1153 O SER A 73 6.488 -13.920 14.603 1.00 0.00 O ATOM 1154 CB SER A 73 5.093 -11.440 13.166 1.00 0.00 C ATOM 1155 OG SER A 73 4.403 -10.624 14.097 1.00 0.00 O ATOM 0 H SER A 73 6.870 -12.183 11.618 1.00 0.00 H new ATOM 0 HA SER A 73 6.976 -10.791 13.974 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.116 -10.948 12.194 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.558 -12.380 13.035 1.00 0.00 H new ATOM 0 HG SER A 73 3.493 -10.457 13.774 1.00 0.00 H new ATOM 1161 N SER A 74 6.500 -12.170 16.017 1.00 0.00 N ATOM 1162 CA SER A 74 6.486 -12.999 17.217 1.00 0.00 C ATOM 1163 C SER A 74 5.102 -13.000 17.860 1.00 0.00 C ATOM 1164 O SER A 74 4.477 -11.952 18.015 1.00 0.00 O ATOM 1165 CB SER A 74 7.527 -12.499 18.220 1.00 0.00 C ATOM 1166 OG SER A 74 8.828 -12.932 17.864 1.00 0.00 O ATOM 0 H SER A 74 6.508 -11.166 16.198 1.00 0.00 H new ATOM 0 HA SER A 74 6.733 -14.020 16.927 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.502 -11.410 18.262 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.280 -12.863 19.217 1.00 0.00 H new ATOM 0 HG SER A 74 9.475 -12.598 18.520 1.00 0.00 H new ATOM 1172 N GLY A 75 4.630 -14.186 18.232 1.00 0.00 N ATOM 1173 CA GLY A 75 3.324 -14.303 18.854 1.00 0.00 C ATOM 1174 C GLY A 75 3.366 -15.092 20.148 1.00 0.00 C ATOM 1175 O GLY A 75 2.554 -14.869 21.045 1.00 0.00 O ATOM 0 H GLY A 75 5.129 -15.068 18.114 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.929 -13.307 19.052 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.636 -14.786 18.160 1.00 0.00 H new TER 1179 GLY A 75