USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 853 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 48 ASN : amide:sc= -3.27! K(o=-5.3!,f=-0.4) USER MOD Set 1.2: A 79 GLN : amide:sc= -2.01 K(o=-5.3,f=-0.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.015) USER MOD Single : A 5 ASN : amide:sc= -2.11 X(o=-2.1,f=-1.9) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 43:sc= 0.835 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 178:sc= -2.38! (180deg=-2.43!) USER MOD Single : A 30 SER OG : rot -16:sc= -0.543 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.977 K(o=-0.98,f=-5.4!) USER MOD Single : A 50 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ -138:sc= -2.34 (180deg=-5.07!) USER MOD Single : A 66 SER OG : rot 134:sc= 1.24 USER MOD Single : A 71 SER OG : rot -64:sc= 1.18 USER MOD Single : A 76 SER OG : rot 128:sc= -1.31 USER MOD Single : A 89 MET CE :methyl 163:sc= -3.02! (180deg=-4.38) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc=-0.00332 (180deg=-0.107) USER MOD Single : A 95 THR OG1 : rot -145:sc= 0.0222 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 164:sc= -0.08 (180deg=-0.437) USER MOD Single : A 106 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.43) USER MOD Single : A 107 TYR OH : rot -130:sc= -1.85 USER MOD Single : A 110 THR OG1 : rot -20:sc= 0.379 USER MOD Single : A 111 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.870 -14.060 10.869 1.00 0.00 N ATOM 2 CA MET A 1 -14.904 -13.732 9.420 1.00 0.00 C ATOM 3 C MET A 1 -16.229 -13.078 9.044 1.00 0.00 C ATOM 4 O MET A 1 -16.257 -12.075 8.329 1.00 0.00 O ATOM 5 CB MET A 1 -14.697 -14.999 8.587 1.00 0.00 C ATOM 6 CG MET A 1 -14.469 -14.725 7.108 1.00 0.00 C ATOM 7 SD MET A 1 -12.977 -13.757 6.806 1.00 0.00 S ATOM 8 CE MET A 1 -13.023 -13.597 5.023 1.00 0.00 C ATOM 0 H1 MET A 1 -13.929 -14.426 11.120 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.068 -13.203 11.424 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.589 -14.781 11.079 1.00 0.00 H new ATOM 0 HA MET A 1 -14.098 -13.029 9.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.842 -15.548 8.982 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.569 -15.643 8.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.398 -15.672 6.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.331 -14.194 6.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.161 -13.021 4.687 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.997 -14.587 4.568 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.939 -13.086 4.727 1.00 0.00 H new ATOM 18 N ALA A 2 -17.326 -13.649 9.530 1.00 0.00 N ATOM 19 CA ALA A 2 -18.656 -13.122 9.243 1.00 0.00 C ATOM 20 C ALA A 2 -19.322 -12.584 10.504 1.00 0.00 C ATOM 21 O ALA A 2 -20.462 -12.120 10.465 1.00 0.00 O ATOM 22 CB ALA A 2 -19.521 -14.198 8.604 1.00 0.00 C ATOM 0 H ALA A 2 -17.321 -14.477 10.125 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.547 -12.293 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.511 -13.792 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.061 -14.530 7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.612 -15.044 9.285 1.00 0.00 H new ATOM 28 N ASP A 3 -18.604 -12.644 11.622 1.00 0.00 N ATOM 29 CA ASP A 3 -19.130 -12.159 12.893 1.00 0.00 C ATOM 30 C ASP A 3 -18.408 -10.888 13.329 1.00 0.00 C ATOM 31 O ASP A 3 -19.019 -9.826 13.447 1.00 0.00 O ATOM 32 CB ASP A 3 -18.994 -13.234 13.973 1.00 0.00 C ATOM 33 CG ASP A 3 -19.651 -12.830 15.279 1.00 0.00 C ATOM 34 OD1 ASP A 3 -20.888 -12.972 15.391 1.00 0.00 O ATOM 35 OD2 ASP A 3 -18.931 -12.375 16.191 1.00 0.00 O ATOM 0 H ASP A 3 -17.658 -13.023 11.673 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.186 -11.928 12.755 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -19.442 -14.162 13.616 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.938 -13.437 14.149 1.00 0.00 H new ATOM 40 N GLU A 4 -17.104 -11.005 13.566 1.00 0.00 N ATOM 41 CA GLU A 4 -16.300 -9.862 13.987 1.00 0.00 C ATOM 42 C GLU A 4 -16.238 -8.809 12.886 1.00 0.00 C ATOM 43 O GLU A 4 -16.313 -9.132 11.699 1.00 0.00 O ATOM 44 CB GLU A 4 -14.884 -10.309 14.358 1.00 0.00 C ATOM 45 CG GLU A 4 -14.841 -11.339 15.475 1.00 0.00 C ATOM 46 CD GLU A 4 -13.426 -11.755 15.831 1.00 0.00 C ATOM 47 OE1 GLU A 4 -12.803 -11.078 16.676 1.00 0.00 O ATOM 48 OE2 GLU A 4 -12.941 -12.756 15.264 1.00 0.00 O ATOM 0 H GLU A 4 -16.583 -11.877 13.474 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.774 -9.423 14.865 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.400 -10.725 13.474 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.304 -9.436 14.658 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.329 -10.930 16.360 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.410 -12.219 15.175 1.00 0.00 H new ATOM 55 N ASN A 5 -16.101 -7.549 13.291 1.00 0.00 N ATOM 56 CA ASN A 5 -16.026 -6.437 12.349 1.00 0.00 C ATOM 57 C ASN A 5 -17.280 -6.360 11.480 1.00 0.00 C ATOM 58 O ASN A 5 -17.371 -7.019 10.443 1.00 0.00 O ATOM 59 CB ASN A 5 -14.784 -6.568 11.465 1.00 0.00 C ATOM 60 CG ASN A 5 -14.661 -5.430 10.473 1.00 0.00 C ATOM 61 OD1 ASN A 5 -15.145 -4.324 10.715 1.00 0.00 O ATOM 62 ND2 ASN A 5 -14.006 -5.692 9.347 1.00 0.00 N ATOM 0 H ASN A 5 -16.039 -7.272 14.271 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.956 -5.516 12.928 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.894 -6.596 12.094 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.823 -7.514 10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.889 -4.963 8.644 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.620 -6.622 9.186 1.00 0.00 H new ATOM 69 N LYS A 6 -18.244 -5.551 11.913 1.00 0.00 N ATOM 70 CA LYS A 6 -19.494 -5.383 11.178 1.00 0.00 C ATOM 71 C LYS A 6 -19.454 -4.124 10.318 1.00 0.00 C ATOM 72 O LYS A 6 -20.045 -4.078 9.239 1.00 0.00 O ATOM 73 CB LYS A 6 -20.675 -5.316 12.152 1.00 0.00 C ATOM 74 CG LYS A 6 -22.014 -5.049 11.478 1.00 0.00 C ATOM 75 CD LYS A 6 -22.445 -6.212 10.598 1.00 0.00 C ATOM 76 CE LYS A 6 -23.725 -5.893 9.842 1.00 0.00 C ATOM 77 NZ LYS A 6 -24.218 -7.061 9.058 1.00 0.00 N ATOM 0 H LYS A 6 -18.183 -5.001 12.770 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.622 -6.244 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.736 -6.256 12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -20.485 -4.532 12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.774 -4.867 12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.943 -4.144 10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.651 -6.447 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.596 -7.099 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.494 -5.580 10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.549 -5.054 9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -25.092 -6.800 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -23.495 -7.345 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.411 -7.855 9.702 1.00 0.00 H new ATOM 91 N TRP A 7 -18.754 -3.106 10.805 1.00 0.00 N ATOM 92 CA TRP A 7 -18.633 -1.845 10.083 1.00 0.00 C ATOM 93 C TRP A 7 -17.658 -1.983 8.918 1.00 0.00 C ATOM 94 O TRP A 7 -16.480 -1.645 9.042 1.00 0.00 O ATOM 95 CB TRP A 7 -18.162 -0.738 11.027 1.00 0.00 C ATOM 96 CG TRP A 7 -19.068 -0.526 12.201 1.00 0.00 C ATOM 97 CD1 TRP A 7 -19.155 -1.301 13.322 1.00 0.00 C ATOM 98 CD2 TRP A 7 -20.017 0.532 12.370 1.00 0.00 C ATOM 99 NE1 TRP A 7 -20.099 -0.787 14.178 1.00 0.00 N ATOM 100 CE2 TRP A 7 -20.643 0.337 13.616 1.00 0.00 C ATOM 101 CE3 TRP A 7 -20.397 1.626 11.589 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -21.629 1.196 14.096 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -21.376 2.477 12.067 1.00 0.00 C ATOM 104 CH2 TRP A 7 -21.981 2.258 13.310 1.00 0.00 C ATOM 0 H TRP A 7 -18.261 -3.129 11.698 1.00 0.00 H new ATOM 0 HA TRP A 7 -19.614 -1.582 9.687 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -17.163 -0.981 11.389 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -18.081 0.194 10.468 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -18.568 -2.188 13.508 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -20.353 -1.179 15.085 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -19.934 1.804 10.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -22.098 1.029 15.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -21.679 3.325 11.471 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -22.742 2.942 13.656 1.00 0.00 H new ATOM 115 N VAL A 8 -18.154 -2.483 7.789 1.00 0.00 N ATOM 116 CA VAL A 8 -17.319 -2.672 6.605 1.00 0.00 C ATOM 117 C VAL A 8 -18.129 -3.198 5.423 1.00 0.00 C ATOM 118 O VAL A 8 -18.110 -2.612 4.340 1.00 0.00 O ATOM 119 CB VAL A 8 -16.151 -3.645 6.894 1.00 0.00 C ATOM 120 CG1 VAL A 8 -16.637 -4.856 7.678 1.00 0.00 C ATOM 121 CG2 VAL A 8 -15.475 -4.084 5.601 1.00 0.00 C ATOM 0 H VAL A 8 -19.127 -2.764 7.669 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.916 -1.693 6.347 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.416 -3.115 7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.799 -5.526 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.064 -4.528 8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.397 -5.382 7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.658 -4.767 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.201 -4.589 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.082 -3.210 5.081 1.00 0.00 H new ATOM 131 N ARG A 9 -18.837 -4.303 5.631 1.00 0.00 N ATOM 132 CA ARG A 9 -19.634 -4.906 4.570 1.00 0.00 C ATOM 133 C ARG A 9 -21.125 -4.705 4.802 1.00 0.00 C ATOM 134 O ARG A 9 -21.949 -5.447 4.265 1.00 0.00 O ATOM 135 CB ARG A 9 -19.307 -6.398 4.444 1.00 0.00 C ATOM 136 CG ARG A 9 -19.405 -7.164 5.754 1.00 0.00 C ATOM 137 CD ARG A 9 -20.835 -7.588 6.052 1.00 0.00 C ATOM 138 NE ARG A 9 -21.446 -8.277 4.919 1.00 0.00 N ATOM 139 CZ ARG A 9 -22.544 -9.021 5.014 1.00 0.00 C ATOM 140 NH1 ARG A 9 -23.138 -9.184 6.188 1.00 0.00 N ATOM 141 NH2 ARG A 9 -23.047 -9.603 3.934 1.00 0.00 N ATOM 0 H ARG A 9 -18.875 -4.798 6.522 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.377 -4.406 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.986 -6.849 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.298 -6.506 4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -18.766 -8.046 5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -19.033 -6.542 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -20.845 -8.243 6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -21.429 -6.710 6.306 1.00 0.00 H new ATOM 0 HE ARG A 9 -21.006 -8.182 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -22.753 -8.738 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.980 -9.755 6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -22.592 -9.480 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.889 -10.174 4.008 1.00 0.00 H new ATOM 155 N ARG A 10 -21.474 -3.700 5.598 1.00 0.00 N ATOM 156 CA ARG A 10 -22.875 -3.407 5.869 1.00 0.00 C ATOM 157 C ARG A 10 -23.598 -3.086 4.567 1.00 0.00 C ATOM 158 O ARG A 10 -23.372 -2.035 3.968 1.00 0.00 O ATOM 159 CB ARG A 10 -23.004 -2.245 6.858 1.00 0.00 C ATOM 160 CG ARG A 10 -22.154 -1.035 6.502 1.00 0.00 C ATOM 161 CD ARG A 10 -22.313 0.071 7.533 1.00 0.00 C ATOM 162 NE ARG A 10 -22.053 -0.408 8.889 1.00 0.00 N ATOM 163 CZ ARG A 10 -22.943 -0.352 9.875 1.00 0.00 C ATOM 164 NH1 ARG A 10 -24.144 0.169 9.662 1.00 0.00 N ATOM 165 NH2 ARG A 10 -22.634 -0.820 11.078 1.00 0.00 N ATOM 0 H ARG A 10 -20.811 -3.080 6.063 1.00 0.00 H new ATOM 0 HA ARG A 10 -23.336 -4.286 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -24.049 -1.940 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -22.724 -2.594 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -21.106 -1.329 6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -22.440 -0.663 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -21.629 0.887 7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -23.323 0.476 7.478 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.137 -0.808 9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -24.388 0.529 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -24.824 0.210 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.713 -1.223 11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -23.318 -0.776 11.833 1.00 0.00 H new ATOM 179 N ASP A 11 -24.458 -4.008 4.131 1.00 0.00 N ATOM 180 CA ASP A 11 -25.210 -3.852 2.886 1.00 0.00 C ATOM 181 C ASP A 11 -24.289 -4.043 1.682 1.00 0.00 C ATOM 182 O ASP A 11 -24.724 -3.974 0.534 1.00 0.00 O ATOM 183 CB ASP A 11 -25.883 -2.478 2.821 1.00 0.00 C ATOM 184 CG ASP A 11 -26.877 -2.371 1.682 1.00 0.00 C ATOM 185 OD1 ASP A 11 -28.053 -2.745 1.881 1.00 0.00 O ATOM 186 OD2 ASP A 11 -26.481 -1.913 0.589 1.00 0.00 O ATOM 0 H ASP A 11 -24.652 -4.878 4.627 1.00 0.00 H new ATOM 0 HA ASP A 11 -25.987 -4.616 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -26.394 -2.282 3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -25.120 -1.708 2.706 1.00 0.00 H new ATOM 191 N VAL A 12 -23.011 -4.290 1.962 1.00 0.00 N ATOM 192 CA VAL A 12 -22.014 -4.500 0.918 1.00 0.00 C ATOM 193 C VAL A 12 -21.586 -5.971 0.883 1.00 0.00 C ATOM 194 O VAL A 12 -22.244 -6.825 1.477 1.00 0.00 O ATOM 195 CB VAL A 12 -20.775 -3.600 1.142 1.00 0.00 C ATOM 196 CG1 VAL A 12 -20.089 -3.274 -0.179 1.00 0.00 C ATOM 197 CG2 VAL A 12 -21.168 -2.319 1.862 1.00 0.00 C ATOM 0 H VAL A 12 -22.641 -4.350 2.911 1.00 0.00 H new ATOM 0 HA VAL A 12 -22.466 -4.233 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 12 -20.070 -4.150 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.222 -2.641 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.767 -4.198 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -20.787 -2.750 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -20.284 -1.699 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -21.897 -1.774 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -21.605 -2.565 2.830 1.00 0.00 H new ATOM 207 N SER A 13 -20.488 -6.262 0.191 1.00 0.00 N ATOM 208 CA SER A 13 -19.983 -7.628 0.088 1.00 0.00 C ATOM 209 C SER A 13 -18.493 -7.624 -0.235 1.00 0.00 C ATOM 210 O SER A 13 -17.666 -7.987 0.603 1.00 0.00 O ATOM 211 CB SER A 13 -20.747 -8.400 -0.989 1.00 0.00 C ATOM 212 OG SER A 13 -20.235 -9.714 -1.132 1.00 0.00 O ATOM 0 H SER A 13 -19.930 -5.569 -0.308 1.00 0.00 H new ATOM 0 HA SER A 13 -20.133 -8.121 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 13 -21.804 -8.444 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.675 -7.872 -1.940 1.00 0.00 H new ATOM 0 HG SER A 13 -20.740 -10.188 -1.825 1.00 0.00 H new ATOM 218 N THR A 14 -18.155 -7.213 -1.454 1.00 0.00 N ATOM 219 CA THR A 14 -16.761 -7.151 -1.875 1.00 0.00 C ATOM 220 C THR A 14 -16.072 -5.951 -1.241 1.00 0.00 C ATOM 221 O THR A 14 -16.077 -4.852 -1.795 1.00 0.00 O ATOM 222 CB THR A 14 -16.633 -7.065 -3.408 1.00 0.00 C ATOM 223 OG1 THR A 14 -17.334 -5.916 -3.898 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.183 -8.320 -4.068 1.00 0.00 C ATOM 0 H THR A 14 -18.825 -6.919 -2.164 1.00 0.00 H new ATOM 0 HA THR A 14 -16.279 -8.070 -1.543 1.00 0.00 H new ATOM 0 HB THR A 14 -15.575 -6.976 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.149 -5.148 -3.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.082 -8.236 -5.150 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.626 -9.189 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.236 -8.435 -3.810 1.00 0.00 H new ATOM 232 N ALA A 15 -15.485 -6.169 -0.069 1.00 0.00 N ATOM 233 CA ALA A 15 -14.808 -5.105 0.660 1.00 0.00 C ATOM 234 C ALA A 15 -13.361 -4.934 0.211 1.00 0.00 C ATOM 235 O ALA A 15 -12.974 -3.872 -0.277 1.00 0.00 O ATOM 236 CB ALA A 15 -14.867 -5.379 2.154 1.00 0.00 C ATOM 0 H ALA A 15 -15.465 -7.076 0.397 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.328 -4.173 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.358 -4.578 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.908 -5.427 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.377 -6.329 2.369 1.00 0.00 H new ATOM 242 N LEU A 16 -12.568 -5.988 0.374 1.00 0.00 N ATOM 243 CA LEU A 16 -11.153 -5.957 0.010 1.00 0.00 C ATOM 244 C LEU A 16 -10.936 -5.556 -1.450 1.00 0.00 C ATOM 245 O LEU A 16 -9.817 -5.231 -1.844 1.00 0.00 O ATOM 246 CB LEU A 16 -10.489 -7.316 0.306 1.00 0.00 C ATOM 247 CG LEU A 16 -10.873 -8.504 -0.600 1.00 0.00 C ATOM 248 CD1 LEU A 16 -12.368 -8.535 -0.887 1.00 0.00 C ATOM 249 CD2 LEU A 16 -10.075 -8.482 -1.897 1.00 0.00 C ATOM 0 H LEU A 16 -12.882 -6.879 0.758 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.680 -5.191 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.409 -7.183 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.722 -7.588 1.335 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.623 -9.417 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.598 -9.386 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.917 -8.628 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.661 -7.613 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.365 -9.330 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.277 -7.555 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.011 -8.545 -1.670 1.00 0.00 H new ATOM 261 N SER A 17 -12.001 -5.572 -2.247 1.00 0.00 N ATOM 262 CA SER A 17 -11.893 -5.212 -3.658 1.00 0.00 C ATOM 263 C SER A 17 -11.427 -3.766 -3.823 1.00 0.00 C ATOM 264 O SER A 17 -10.446 -3.504 -4.520 1.00 0.00 O ATOM 265 CB SER A 17 -13.241 -5.405 -4.357 1.00 0.00 C ATOM 266 OG SER A 17 -13.181 -4.981 -5.708 1.00 0.00 O ATOM 0 H SER A 17 -12.941 -5.828 -1.944 1.00 0.00 H new ATOM 0 HA SER A 17 -11.152 -5.867 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.529 -6.455 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.011 -4.842 -3.830 1.00 0.00 H new ATOM 0 HG SER A 17 -14.054 -5.116 -6.132 1.00 0.00 H new ATOM 272 N ARG A 18 -12.128 -2.845 -3.160 1.00 0.00 N ATOM 273 CA ARG A 18 -11.807 -1.416 -3.214 1.00 0.00 C ATOM 274 C ARG A 18 -12.925 -0.599 -2.571 1.00 0.00 C ATOM 275 O ARG A 18 -13.893 -0.230 -3.234 1.00 0.00 O ATOM 276 CB ARG A 18 -11.598 -0.945 -4.660 1.00 0.00 C ATOM 277 CG ARG A 18 -11.171 0.510 -4.770 1.00 0.00 C ATOM 278 CD ARG A 18 -10.798 0.880 -6.198 1.00 0.00 C ATOM 279 NE ARG A 18 -10.368 2.272 -6.307 1.00 0.00 N ATOM 280 CZ ARG A 18 -9.637 2.744 -7.314 1.00 0.00 C ATOM 281 NH1 ARG A 18 -9.258 1.939 -8.299 1.00 0.00 N ATOM 282 NH2 ARG A 18 -9.287 4.022 -7.337 1.00 0.00 N ATOM 0 H ARG A 18 -12.932 -3.066 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.879 -1.264 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.843 -1.573 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.524 -1.086 -5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.981 1.154 -4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.320 0.690 -4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.999 0.225 -6.545 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.654 0.713 -6.852 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.644 2.919 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.527 0.955 -8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.698 2.304 -9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.578 4.644 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.727 4.384 -8.109 1.00 0.00 H new ATOM 296 N MET A 19 -12.789 -0.324 -1.277 1.00 0.00 N ATOM 297 CA MET A 19 -13.797 0.441 -0.549 1.00 0.00 C ATOM 298 C MET A 19 -13.151 1.531 0.300 1.00 0.00 C ATOM 299 O MET A 19 -13.765 2.564 0.569 1.00 0.00 O ATOM 300 CB MET A 19 -14.618 -0.485 0.351 1.00 0.00 C ATOM 301 CG MET A 19 -15.206 -1.686 -0.371 1.00 0.00 C ATOM 302 SD MET A 19 -16.922 -1.437 -0.872 1.00 0.00 S ATOM 303 CE MET A 19 -16.732 -0.231 -2.182 1.00 0.00 C ATOM 0 H MET A 19 -11.993 -0.619 -0.712 1.00 0.00 H new ATOM 0 HA MET A 19 -14.452 0.911 -1.282 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.986 -0.838 1.166 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.428 0.088 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.604 -1.903 -1.253 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.146 -2.559 0.279 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.707 -0.006 -2.613 1.00 0.00 H new ATOM 0 HE2 MET A 19 -16.295 0.681 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 19 -16.078 -0.634 -2.955 1.00 0.00 H new ATOM 313 N GLY A 20 -11.914 1.292 0.724 1.00 0.00 N ATOM 314 CA GLY A 20 -11.212 2.259 1.547 1.00 0.00 C ATOM 315 C GLY A 20 -11.716 2.264 2.976 1.00 0.00 C ATOM 316 O GLY A 20 -12.921 2.174 3.208 1.00 0.00 O ATOM 0 H GLY A 20 -11.385 0.446 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.146 2.034 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.331 3.254 1.118 1.00 0.00 H new ATOM 320 N ASP A 21 -10.791 2.373 3.930 1.00 0.00 N ATOM 321 CA ASP A 21 -11.135 2.380 5.354 1.00 0.00 C ATOM 322 C ASP A 21 -11.689 1.030 5.781 1.00 0.00 C ATOM 323 O ASP A 21 -11.001 0.230 6.416 1.00 0.00 O ATOM 324 CB ASP A 21 -12.170 3.466 5.664 1.00 0.00 C ATOM 325 CG ASP A 21 -11.928 4.746 4.886 1.00 0.00 C ATOM 326 OD1 ASP A 21 -11.087 5.558 5.325 1.00 0.00 O ATOM 327 OD2 ASP A 21 -12.580 4.936 3.838 1.00 0.00 O ATOM 0 H ASP A 21 -9.792 2.458 3.742 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.221 2.589 5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.166 3.089 5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.151 3.686 6.731 1.00 0.00 H new ATOM 332 N GLU A 22 -12.945 0.794 5.435 1.00 0.00 N ATOM 333 CA GLU A 22 -13.619 -0.450 5.765 1.00 0.00 C ATOM 334 C GLU A 22 -12.871 -1.648 5.196 1.00 0.00 C ATOM 335 O GLU A 22 -12.862 -2.724 5.791 1.00 0.00 O ATOM 336 CB GLU A 22 -15.045 -0.424 5.218 1.00 0.00 C ATOM 337 CG GLU A 22 -15.118 -0.155 3.724 1.00 0.00 C ATOM 338 CD GLU A 22 -16.532 0.106 3.246 1.00 0.00 C ATOM 339 OE1 GLU A 22 -17.032 1.232 3.455 1.00 0.00 O ATOM 340 OE2 GLU A 22 -17.141 -0.816 2.664 1.00 0.00 O ATOM 0 H GLU A 22 -13.523 1.457 4.919 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.643 -0.548 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.524 -1.380 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.614 0.342 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.493 0.705 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.708 -1.009 3.185 1.00 0.00 H new ATOM 347 N ALA A 23 -12.236 -1.452 4.046 1.00 0.00 N ATOM 348 CA ALA A 23 -11.496 -2.520 3.385 1.00 0.00 C ATOM 349 C ALA A 23 -10.053 -2.597 3.873 1.00 0.00 C ATOM 350 O ALA A 23 -9.320 -3.518 3.515 1.00 0.00 O ATOM 351 CB ALA A 23 -11.535 -2.320 1.878 1.00 0.00 C ATOM 0 H ALA A 23 -12.219 -0.560 3.551 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.976 -3.466 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.980 -3.121 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.570 -2.334 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.083 -1.361 1.626 1.00 0.00 H new ATOM 357 N PHE A 24 -9.650 -1.631 4.691 1.00 0.00 N ATOM 358 CA PHE A 24 -8.293 -1.594 5.217 1.00 0.00 C ATOM 359 C PHE A 24 -7.962 -2.854 6.015 1.00 0.00 C ATOM 360 O PHE A 24 -6.986 -3.540 5.718 1.00 0.00 O ATOM 361 CB PHE A 24 -8.097 -0.355 6.087 1.00 0.00 C ATOM 362 CG PHE A 24 -6.661 0.067 6.191 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.974 0.503 5.067 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.996 0.020 7.403 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.651 0.882 5.154 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.672 0.400 7.495 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.999 0.832 6.369 1.00 0.00 C ATOM 0 H PHE A 24 -10.245 -0.864 5.004 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.611 -1.549 4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.683 0.467 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.485 -0.554 7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.481 0.546 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.518 -0.317 8.286 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.126 1.218 4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.163 0.359 8.447 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.963 1.130 6.439 1.00 0.00 H new ATOM 377 N GLU A 25 -8.765 -3.154 7.032 1.00 0.00 N ATOM 378 CA GLU A 25 -8.527 -4.343 7.854 1.00 0.00 C ATOM 379 C GLU A 25 -8.657 -5.628 7.040 1.00 0.00 C ATOM 380 O GLU A 25 -7.768 -6.467 7.102 1.00 0.00 O ATOM 381 CB GLU A 25 -9.464 -4.411 9.056 1.00 0.00 C ATOM 382 CG GLU A 25 -10.448 -3.255 9.158 1.00 0.00 C ATOM 383 CD GLU A 25 -11.194 -3.241 10.478 1.00 0.00 C ATOM 384 OE1 GLU A 25 -10.681 -2.633 11.442 1.00 0.00 O ATOM 385 OE2 GLU A 25 -12.289 -3.834 10.549 1.00 0.00 O ATOM 0 H GLU A 25 -9.577 -2.600 7.307 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.503 -4.254 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.024 -5.345 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.865 -4.442 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.911 -2.314 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.165 -3.320 8.340 1.00 0.00 H new ATOM 392 N PRO A 26 -9.768 -5.828 6.285 1.00 0.00 N ATOM 393 CA PRO A 26 -9.952 -7.031 5.464 1.00 0.00 C ATOM 394 C PRO A 26 -8.649 -7.449 4.798 1.00 0.00 C ATOM 395 O PRO A 26 -8.410 -8.628 4.535 1.00 0.00 O ATOM 396 CB PRO A 26 -10.980 -6.577 4.434 1.00 0.00 C ATOM 397 CG PRO A 26 -11.830 -5.603 5.175 1.00 0.00 C ATOM 398 CD PRO A 26 -10.928 -4.918 6.175 1.00 0.00 C ATOM 0 HA PRO A 26 -10.270 -7.902 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.502 -6.113 3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.568 -7.416 4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.274 -4.878 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.652 -6.111 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.629 -3.928 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.425 -4.785 7.136 1.00 0.00 H new ATOM 406 N LEU A 27 -7.817 -6.453 4.535 1.00 0.00 N ATOM 407 CA LEU A 27 -6.508 -6.655 3.944 1.00 0.00 C ATOM 408 C LEU A 27 -5.567 -7.247 4.990 1.00 0.00 C ATOM 409 O LEU A 27 -4.957 -8.296 4.782 1.00 0.00 O ATOM 410 CB LEU A 27 -5.974 -5.312 3.466 1.00 0.00 C ATOM 411 CG LEU A 27 -6.755 -4.679 2.314 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.509 -3.179 2.261 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.376 -5.332 0.993 1.00 0.00 C ATOM 0 H LEU A 27 -8.035 -5.475 4.728 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.578 -7.342 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.971 -4.619 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.937 -5.440 3.155 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.819 -4.844 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.073 -2.747 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.831 -2.724 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.446 -2.990 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.941 -4.870 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.309 -5.198 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.606 -6.397 1.034 1.00 0.00 H new ATOM 425 N LEU A 28 -5.465 -6.543 6.116 1.00 0.00 N ATOM 426 CA LEU A 28 -4.639 -6.967 7.240 1.00 0.00 C ATOM 427 C LEU A 28 -5.005 -8.390 7.643 1.00 0.00 C ATOM 428 O LEU A 28 -4.137 -9.236 7.851 1.00 0.00 O ATOM 429 CB LEU A 28 -4.870 -6.004 8.418 1.00 0.00 C ATOM 430 CG LEU A 28 -3.932 -6.143 9.629 1.00 0.00 C ATOM 431 CD1 LEU A 28 -4.184 -7.443 10.382 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.475 -6.050 9.199 1.00 0.00 C ATOM 0 H LEU A 28 -5.954 -5.662 6.273 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.587 -6.948 6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.789 -4.984 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.894 -6.135 8.766 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.146 -5.317 10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.504 -7.509 11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.214 -7.463 10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.015 -8.288 9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.831 -6.151 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.253 -6.848 8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.296 -5.084 8.726 1.00 0.00 H new ATOM 444 N GLU A 29 -6.303 -8.638 7.751 1.00 0.00 N ATOM 445 CA GLU A 29 -6.806 -9.946 8.125 1.00 0.00 C ATOM 446 C GLU A 29 -6.418 -10.992 7.084 1.00 0.00 C ATOM 447 O GLU A 29 -6.026 -12.109 7.422 1.00 0.00 O ATOM 448 CB GLU A 29 -8.327 -9.904 8.275 1.00 0.00 C ATOM 449 CG GLU A 29 -8.804 -8.969 9.374 1.00 0.00 C ATOM 450 CD GLU A 29 -8.389 -9.435 10.755 1.00 0.00 C ATOM 451 OE1 GLU A 29 -7.215 -9.226 11.125 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.238 -10.012 11.466 1.00 0.00 O ATOM 0 H GLU A 29 -7.029 -7.942 7.583 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.359 -10.223 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.769 -9.594 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.691 -10.910 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.404 -7.971 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.890 -8.889 9.332 1.00 0.00 H new ATOM 459 N SER A 30 -6.532 -10.612 5.813 1.00 0.00 N ATOM 460 CA SER A 30 -6.213 -11.507 4.705 1.00 0.00 C ATOM 461 C SER A 30 -4.726 -11.849 4.654 1.00 0.00 C ATOM 462 O SER A 30 -4.323 -12.756 3.925 1.00 0.00 O ATOM 463 CB SER A 30 -6.639 -10.876 3.378 1.00 0.00 C ATOM 464 OG SER A 30 -6.321 -11.724 2.288 1.00 0.00 O ATOM 0 H SER A 30 -6.845 -9.685 5.525 1.00 0.00 H new ATOM 0 HA SER A 30 -6.764 -12.433 4.869 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.711 -10.681 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.142 -9.914 3.252 1.00 0.00 H new ATOM 0 HG SER A 30 -5.680 -12.405 2.580 1.00 0.00 H new ATOM 470 N LEU A 31 -3.908 -11.126 5.417 1.00 0.00 N ATOM 471 CA LEU A 31 -2.469 -11.381 5.427 1.00 0.00 C ATOM 472 C LEU A 31 -2.181 -12.824 5.820 1.00 0.00 C ATOM 473 O LEU A 31 -1.135 -13.376 5.478 1.00 0.00 O ATOM 474 CB LEU A 31 -1.743 -10.432 6.385 1.00 0.00 C ATOM 475 CG LEU A 31 -1.791 -8.946 6.014 1.00 0.00 C ATOM 476 CD1 LEU A 31 -0.904 -8.144 6.950 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.363 -8.732 4.570 1.00 0.00 C ATOM 0 H LEU A 31 -4.212 -10.369 6.029 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.099 -11.204 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.171 -10.553 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.699 -10.738 6.448 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.820 -8.601 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.946 -7.090 6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.252 -8.267 7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.124 -8.499 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.406 -7.669 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.344 -9.093 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.033 -9.280 3.907 1.00 0.00 H new ATOM 489 N SER A 32 -3.118 -13.430 6.541 1.00 0.00 N ATOM 490 CA SER A 32 -2.973 -14.812 6.979 1.00 0.00 C ATOM 491 C SER A 32 -4.177 -15.642 6.546 1.00 0.00 C ATOM 492 O SER A 32 -4.457 -16.695 7.119 1.00 0.00 O ATOM 493 CB SER A 32 -2.815 -14.871 8.500 1.00 0.00 C ATOM 494 OG SER A 32 -3.921 -14.268 9.151 1.00 0.00 O ATOM 0 H SER A 32 -3.987 -12.984 6.835 1.00 0.00 H new ATOM 0 HA SER A 32 -2.079 -15.228 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.723 -15.909 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.896 -14.364 8.793 1.00 0.00 H new ATOM 0 HG SER A 32 -3.797 -14.320 10.122 1.00 0.00 H new ATOM 500 N ASN A 33 -4.881 -15.162 5.524 1.00 0.00 N ATOM 501 CA ASN A 33 -6.058 -15.850 5.011 1.00 0.00 C ATOM 502 C ASN A 33 -5.717 -17.274 4.580 1.00 0.00 C ATOM 503 O ASN A 33 -4.653 -17.523 4.015 1.00 0.00 O ATOM 504 CB ASN A 33 -6.650 -15.070 3.836 1.00 0.00 C ATOM 505 CG ASN A 33 -7.937 -15.683 3.328 1.00 0.00 C ATOM 506 OD1 ASN A 33 -7.932 -16.485 2.395 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.050 -15.309 3.945 1.00 0.00 N ATOM 0 H ASN A 33 -4.654 -14.296 5.035 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.796 -15.907 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.837 -14.041 4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.923 -15.033 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.949 -15.690 3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.007 -14.641 4.715 1.00 0.00 H new ATOM 514 N GLU A 34 -6.630 -18.203 4.854 1.00 0.00 N ATOM 515 CA GLU A 34 -6.429 -19.604 4.497 1.00 0.00 C ATOM 516 C GLU A 34 -6.260 -19.758 2.989 1.00 0.00 C ATOM 517 O GLU A 34 -5.391 -20.496 2.523 1.00 0.00 O ATOM 518 CB GLU A 34 -7.606 -20.451 4.986 1.00 0.00 C ATOM 519 CG GLU A 34 -7.887 -20.301 6.473 1.00 0.00 C ATOM 520 CD GLU A 34 -9.026 -21.186 6.945 1.00 0.00 C ATOM 521 OE1 GLU A 34 -8.800 -22.403 7.115 1.00 0.00 O ATOM 522 OE2 GLU A 34 -10.141 -20.662 7.146 1.00 0.00 O ATOM 0 H GLU A 34 -7.516 -18.010 5.322 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.518 -19.953 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.499 -20.174 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.404 -21.499 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.986 -20.545 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.127 -19.260 6.690 1.00 0.00 H new ATOM 529 N ASP A 35 -7.099 -19.057 2.235 1.00 0.00 N ATOM 530 CA ASP A 35 -7.043 -19.102 0.777 1.00 0.00 C ATOM 531 C ASP A 35 -5.899 -18.237 0.257 1.00 0.00 C ATOM 532 O ASP A 35 -5.678 -17.126 0.742 1.00 0.00 O ATOM 533 CB ASP A 35 -8.370 -18.627 0.181 1.00 0.00 C ATOM 534 CG ASP A 35 -9.546 -19.452 0.661 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.986 -19.248 1.812 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.031 -20.303 -0.116 1.00 0.00 O ATOM 0 H ASP A 35 -7.828 -18.449 2.609 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.866 -20.133 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.531 -17.582 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.315 -18.676 -0.907 1.00 0.00 H new ATOM 541 N TRP A 36 -5.174 -18.750 -0.732 1.00 0.00 N ATOM 542 CA TRP A 36 -4.048 -18.026 -1.312 1.00 0.00 C ATOM 543 C TRP A 36 -4.528 -16.924 -2.254 1.00 0.00 C ATOM 544 O TRP A 36 -3.863 -15.900 -2.414 1.00 0.00 O ATOM 545 CB TRP A 36 -3.132 -18.993 -2.064 1.00 0.00 C ATOM 546 CG TRP A 36 -2.847 -20.251 -1.303 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.052 -21.530 -1.735 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.314 -20.356 0.023 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.676 -22.422 -0.761 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.221 -21.727 0.327 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.904 -19.426 0.985 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -1.737 -22.191 1.546 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -1.424 -19.889 2.197 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.345 -21.261 2.466 1.00 0.00 C ATOM 0 H TRP A 36 -5.346 -19.665 -1.149 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.491 -17.561 -0.499 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.592 -19.250 -3.018 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.191 -18.491 -2.288 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.451 -21.800 -2.701 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.727 -23.438 -0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.961 -18.366 0.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.674 -23.248 1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.105 -19.181 2.948 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.966 -21.591 3.422 1.00 0.00 H new ATOM 565 N ARG A 37 -5.682 -17.143 -2.875 1.00 0.00 N ATOM 566 CA ARG A 37 -6.251 -16.168 -3.799 1.00 0.00 C ATOM 567 C ARG A 37 -6.579 -14.866 -3.080 1.00 0.00 C ATOM 568 O ARG A 37 -6.273 -13.780 -3.573 1.00 0.00 O ATOM 569 CB ARG A 37 -7.510 -16.738 -4.456 1.00 0.00 C ATOM 570 CG ARG A 37 -7.228 -17.900 -5.395 1.00 0.00 C ATOM 571 CD ARG A 37 -8.502 -18.635 -5.783 1.00 0.00 C ATOM 572 NE ARG A 37 -9.459 -17.764 -6.459 1.00 0.00 N ATOM 573 CZ ARG A 37 -10.610 -18.192 -6.973 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.944 -19.474 -6.889 1.00 0.00 N ATOM 575 NH2 ARG A 37 -11.430 -17.338 -7.571 1.00 0.00 N ATOM 0 H ARG A 37 -6.242 -17.987 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.511 -15.956 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.199 -17.068 -3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.012 -15.945 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.734 -17.530 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.539 -18.595 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.252 -19.472 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.964 -19.054 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.233 -16.773 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.318 -20.135 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.827 -19.798 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.179 -16.352 -7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.311 -17.668 -7.964 1.00 0.00 H new ATOM 589 N ILE A 38 -7.201 -14.979 -1.912 1.00 0.00 N ATOM 590 CA ILE A 38 -7.564 -13.807 -1.126 1.00 0.00 C ATOM 591 C ILE A 38 -6.319 -13.099 -0.605 1.00 0.00 C ATOM 592 O ILE A 38 -6.276 -11.871 -0.525 1.00 0.00 O ATOM 593 CB ILE A 38 -8.468 -14.182 0.064 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.625 -15.074 -0.399 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.997 -12.926 0.743 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.489 -14.447 -1.473 1.00 0.00 C ATOM 0 H ILE A 38 -7.464 -15.869 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.115 -13.137 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.875 -14.741 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.219 -16.013 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.250 -15.318 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.634 -13.207 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.161 -12.329 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.576 -12.342 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.286 -15.138 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.925 -13.522 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.879 -14.229 -2.349 1.00 0.00 H new ATOM 608 N ARG A 39 -5.306 -13.886 -0.257 1.00 0.00 N ATOM 609 CA ARG A 39 -4.052 -13.347 0.252 1.00 0.00 C ATOM 610 C ARG A 39 -3.345 -12.523 -0.822 1.00 0.00 C ATOM 611 O ARG A 39 -2.695 -11.522 -0.523 1.00 0.00 O ATOM 612 CB ARG A 39 -3.146 -14.491 0.729 1.00 0.00 C ATOM 613 CG ARG A 39 -1.698 -14.089 0.985 1.00 0.00 C ATOM 614 CD ARG A 39 -1.556 -13.193 2.206 1.00 0.00 C ATOM 615 NE ARG A 39 -2.135 -11.870 1.992 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.424 -10.748 1.971 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.118 -10.782 2.187 1.00 0.00 N ATOM 618 NH2 ARG A 39 -2.019 -9.588 1.738 1.00 0.00 N ATOM 0 H ARG A 39 -5.331 -14.904 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.271 -12.692 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.561 -14.907 1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.162 -15.285 -0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.093 -14.985 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.307 -13.571 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.042 -13.666 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.500 -13.089 2.457 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.143 -11.803 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.346 -11.672 2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.424 -9.918 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.025 -9.555 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.471 -8.728 1.722 1.00 0.00 H new ATOM 632 N GLY A 40 -3.480 -12.947 -2.075 1.00 0.00 N ATOM 633 CA GLY A 40 -2.845 -12.236 -3.172 1.00 0.00 C ATOM 634 C GLY A 40 -3.468 -10.877 -3.429 1.00 0.00 C ATOM 635 O GLY A 40 -2.815 -9.847 -3.263 1.00 0.00 O ATOM 0 H GLY A 40 -4.017 -13.769 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.785 -12.109 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.913 -12.839 -4.078 1.00 0.00 H new ATOM 639 N ALA A 41 -4.736 -10.880 -3.836 1.00 0.00 N ATOM 640 CA ALA A 41 -5.459 -9.645 -4.126 1.00 0.00 C ATOM 641 C ALA A 41 -5.296 -8.618 -3.009 1.00 0.00 C ATOM 642 O ALA A 41 -5.256 -7.415 -3.266 1.00 0.00 O ATOM 643 CB ALA A 41 -6.932 -9.943 -4.357 1.00 0.00 C ATOM 0 H ALA A 41 -5.285 -11.729 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.032 -9.216 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.462 -9.015 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.037 -10.625 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.355 -10.403 -3.464 1.00 0.00 H new ATOM 649 N ALA A 42 -5.202 -9.095 -1.772 1.00 0.00 N ATOM 650 CA ALA A 42 -5.043 -8.210 -0.625 1.00 0.00 C ATOM 651 C ALA A 42 -3.724 -7.448 -0.708 1.00 0.00 C ATOM 652 O ALA A 42 -3.705 -6.219 -0.686 1.00 0.00 O ATOM 653 CB ALA A 42 -5.120 -9.003 0.670 1.00 0.00 C ATOM 0 H ALA A 42 -5.233 -10.088 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.856 -7.484 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.000 -8.328 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.088 -9.499 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.327 -9.751 0.686 1.00 0.00 H new ATOM 659 N ALA A 43 -2.627 -8.190 -0.810 1.00 0.00 N ATOM 660 CA ALA A 43 -1.296 -7.599 -0.908 1.00 0.00 C ATOM 661 C ALA A 43 -1.164 -6.748 -2.171 1.00 0.00 C ATOM 662 O ALA A 43 -0.362 -5.816 -2.227 1.00 0.00 O ATOM 663 CB ALA A 43 -0.255 -8.701 -0.923 1.00 0.00 C ATOM 0 H ALA A 43 -2.633 -9.210 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.140 -6.953 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.740 -8.261 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.328 -9.283 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.427 -9.353 -1.780 1.00 0.00 H new ATOM 669 N TRP A 44 -1.963 -7.085 -3.179 1.00 0.00 N ATOM 670 CA TRP A 44 -1.939 -6.387 -4.462 1.00 0.00 C ATOM 671 C TRP A 44 -2.512 -4.972 -4.370 1.00 0.00 C ATOM 672 O TRP A 44 -1.984 -4.044 -4.982 1.00 0.00 O ATOM 673 CB TRP A 44 -2.718 -7.193 -5.506 1.00 0.00 C ATOM 674 CG TRP A 44 -1.860 -8.139 -6.286 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.228 -9.251 -5.812 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.541 -8.059 -7.680 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.523 -9.860 -6.824 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.704 -9.150 -7.981 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.881 -7.168 -8.705 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.202 -9.374 -9.261 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.384 -7.394 -9.975 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.552 -8.488 -10.244 1.00 0.00 C ATOM 0 H TRP A 44 -2.642 -7.845 -3.131 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.895 -6.296 -4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.506 -7.756 -5.006 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.207 -6.505 -6.195 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.274 -9.602 -4.792 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.043 -10.703 -6.728 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.520 -6.320 -8.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.440 -10.217 -9.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.642 -6.715 -10.774 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.179 -8.636 -11.247 1.00 0.00 H new ATOM 693 N ILE A 45 -3.585 -4.809 -3.603 1.00 0.00 N ATOM 694 CA ILE A 45 -4.235 -3.508 -3.467 1.00 0.00 C ATOM 695 C ILE A 45 -3.811 -2.792 -2.189 1.00 0.00 C ATOM 696 O ILE A 45 -3.964 -1.577 -2.066 1.00 0.00 O ATOM 697 CB ILE A 45 -5.769 -3.657 -3.483 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.201 -4.467 -4.707 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.441 -2.290 -3.476 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.664 -4.854 -4.700 1.00 0.00 C ATOM 0 H ILE A 45 -4.023 -5.558 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.919 -2.907 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.080 -4.189 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.993 -3.887 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.596 -5.372 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.524 -2.417 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.149 -1.746 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.132 -1.728 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.893 -5.426 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.875 -5.462 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.278 -3.954 -4.676 1.00 0.00 H new ATOM 712 N ILE A 46 -3.278 -3.551 -1.241 1.00 0.00 N ATOM 713 CA ILE A 46 -2.852 -2.993 0.035 1.00 0.00 C ATOM 714 C ILE A 46 -1.884 -1.821 -0.145 1.00 0.00 C ATOM 715 O ILE A 46 -1.936 -0.848 0.606 1.00 0.00 O ATOM 716 CB ILE A 46 -2.214 -4.076 0.936 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.435 -3.728 2.405 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.728 -4.242 0.640 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.303 -4.916 3.329 1.00 0.00 C ATOM 0 H ILE A 46 -3.130 -4.556 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.749 -2.614 0.525 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.699 -5.028 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.716 -2.964 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.428 -3.294 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.311 -5.011 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.595 -4.537 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.214 -3.298 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.472 -4.597 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.040 -5.672 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.302 -5.337 3.240 1.00 0.00 H new ATOM 731 N GLY A 47 -1.015 -1.907 -1.151 1.00 0.00 N ATOM 732 CA GLY A 47 -0.052 -0.845 -1.391 1.00 0.00 C ATOM 733 C GLY A 47 -0.687 0.430 -1.915 1.00 0.00 C ATOM 734 O GLY A 47 -0.079 1.499 -1.860 1.00 0.00 O ATOM 0 H GLY A 47 -0.961 -2.691 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.476 -0.626 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.693 -1.193 -2.107 1.00 0.00 H new ATOM 738 N ASN A 48 -1.912 0.323 -2.422 1.00 0.00 N ATOM 739 CA ASN A 48 -2.618 1.481 -2.966 1.00 0.00 C ATOM 740 C ASN A 48 -3.036 2.454 -1.863 1.00 0.00 C ATOM 741 O ASN A 48 -3.530 3.545 -2.148 1.00 0.00 O ATOM 742 CB ASN A 48 -3.854 1.035 -3.750 1.00 0.00 C ATOM 743 CG ASN A 48 -3.505 0.358 -5.064 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.219 0.503 -6.055 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.406 -0.391 -5.079 1.00 0.00 N ATOM 0 H ASN A 48 -2.436 -0.551 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.929 1.996 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.439 0.349 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.484 1.902 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.128 -0.871 -5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.841 -0.485 -4.235 1.00 0.00 H new ATOM 752 N PHE A 49 -2.846 2.056 -0.607 1.00 0.00 N ATOM 753 CA PHE A 49 -3.212 2.907 0.524 1.00 0.00 C ATOM 754 C PHE A 49 -2.024 3.735 1.008 1.00 0.00 C ATOM 755 O PHE A 49 -2.202 4.798 1.604 1.00 0.00 O ATOM 756 CB PHE A 49 -3.766 2.057 1.667 1.00 0.00 C ATOM 757 CG PHE A 49 -5.125 1.488 1.376 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.258 0.273 0.725 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.272 2.172 1.751 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.508 -0.250 0.453 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.523 1.654 1.481 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.642 0.440 0.832 1.00 0.00 C ATOM 0 H PHE A 49 -2.443 1.156 -0.347 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.984 3.598 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.074 1.241 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.819 2.665 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.375 -0.272 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.185 3.121 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.598 -1.198 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.408 2.197 1.777 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.620 0.032 0.622 1.00 0.00 H new ATOM 772 N GLN A 50 -0.817 3.242 0.749 1.00 0.00 N ATOM 773 CA GLN A 50 0.405 3.939 1.147 1.00 0.00 C ATOM 774 C GLN A 50 0.477 4.115 2.660 1.00 0.00 C ATOM 775 O GLN A 50 1.059 5.081 3.155 1.00 0.00 O ATOM 776 CB GLN A 50 0.490 5.301 0.459 1.00 0.00 C ATOM 777 CG GLN A 50 0.426 5.215 -1.053 1.00 0.00 C ATOM 778 CD GLN A 50 -0.968 5.454 -1.599 1.00 0.00 C ATOM 779 OE1 GLN A 50 -1.768 6.168 -0.996 1.00 0.00 O ATOM 780 NE2 GLN A 50 -1.263 4.860 -2.748 1.00 0.00 N ATOM 0 H GLN A 50 -0.657 2.359 0.264 1.00 0.00 H new ATOM 0 HA GLN A 50 1.252 3.327 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.325 5.931 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.420 5.789 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.110 5.947 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.772 4.231 -1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.568 4.276 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.185 4.987 -3.166 1.00 0.00 H new ATOM 789 N ASP A 51 -0.114 3.177 3.386 1.00 0.00 N ATOM 790 CA ASP A 51 -0.112 3.230 4.845 1.00 0.00 C ATOM 791 C ASP A 51 0.912 2.254 5.420 1.00 0.00 C ATOM 792 O ASP A 51 1.360 1.338 4.730 1.00 0.00 O ATOM 793 CB ASP A 51 -1.506 2.915 5.391 1.00 0.00 C ATOM 794 CG ASP A 51 -1.667 3.325 6.841 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.374 2.498 7.729 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.091 4.474 7.090 1.00 0.00 O ATOM 0 H ASP A 51 -0.600 2.371 2.992 1.00 0.00 H new ATOM 0 HA ASP A 51 0.165 4.239 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.254 3.428 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.697 1.846 5.296 1.00 0.00 H new ATOM 801 N GLU A 52 1.277 2.453 6.685 1.00 0.00 N ATOM 802 CA GLU A 52 2.252 1.589 7.347 1.00 0.00 C ATOM 803 C GLU A 52 1.753 0.146 7.408 1.00 0.00 C ATOM 804 O GLU A 52 2.536 -0.796 7.285 1.00 0.00 O ATOM 805 CB GLU A 52 2.552 2.102 8.757 1.00 0.00 C ATOM 806 CG GLU A 52 1.327 2.176 9.652 1.00 0.00 C ATOM 807 CD GLU A 52 1.661 2.617 11.064 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.104 1.766 11.863 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.478 3.815 11.370 1.00 0.00 O ATOM 0 H GLU A 52 0.913 3.204 7.271 1.00 0.00 H new ATOM 0 HA GLU A 52 3.171 1.610 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.292 1.450 9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.000 3.093 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.607 2.871 9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.846 1.198 9.685 1.00 0.00 H new ATOM 816 N ARG A 53 0.447 -0.018 7.601 1.00 0.00 N ATOM 817 CA ARG A 53 -0.159 -1.344 7.671 1.00 0.00 C ATOM 818 C ARG A 53 -0.081 -2.039 6.313 1.00 0.00 C ATOM 819 O ARG A 53 -0.375 -3.228 6.191 1.00 0.00 O ATOM 820 CB ARG A 53 -1.614 -1.241 8.140 1.00 0.00 C ATOM 821 CG ARG A 53 -2.296 -2.588 8.324 1.00 0.00 C ATOM 822 CD ARG A 53 -3.552 -2.469 9.171 1.00 0.00 C ATOM 823 NE ARG A 53 -3.267 -1.935 10.501 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.207 -1.558 11.362 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.489 -1.654 11.036 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.865 -1.084 12.553 1.00 0.00 N ATOM 0 H ARG A 53 -0.213 0.752 7.712 1.00 0.00 H new ATOM 0 HA ARG A 53 0.396 -1.941 8.395 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.644 -0.697 9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.179 -0.654 7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.552 -3.003 7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.604 -3.286 8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.269 -1.822 8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.019 -3.449 9.266 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.291 -1.846 10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.757 -2.018 10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.207 -1.364 11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.880 -1.009 12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.587 -0.795 13.213 1.00 0.00 H new ATOM 840 N ALA A 54 0.317 -1.283 5.293 1.00 0.00 N ATOM 841 CA ALA A 54 0.433 -1.813 3.941 1.00 0.00 C ATOM 842 C ALA A 54 1.889 -2.076 3.594 1.00 0.00 C ATOM 843 O ALA A 54 2.199 -2.661 2.555 1.00 0.00 O ATOM 844 CB ALA A 54 -0.178 -0.844 2.943 1.00 0.00 C ATOM 0 H ALA A 54 0.565 -0.297 5.380 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.110 -2.757 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.085 -1.252 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.232 -0.696 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.344 0.111 2.997 1.00 0.00 H new ATOM 850 N VAL A 55 2.777 -1.638 4.475 1.00 0.00 N ATOM 851 CA VAL A 55 4.206 -1.814 4.274 1.00 0.00 C ATOM 852 C VAL A 55 4.686 -3.127 4.883 1.00 0.00 C ATOM 853 O VAL A 55 5.581 -3.780 4.346 1.00 0.00 O ATOM 854 CB VAL A 55 5.002 -0.649 4.887 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.464 -0.744 4.496 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.418 0.687 4.454 1.00 0.00 C ATOM 0 H VAL A 55 2.530 -1.156 5.339 1.00 0.00 H new ATOM 0 HA VAL A 55 4.379 -1.834 3.198 1.00 0.00 H new ATOM 0 HB VAL A 55 4.930 -0.716 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.013 0.087 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.877 -1.685 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.554 -0.702 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.995 1.498 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.458 0.766 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.382 0.756 4.785 1.00 0.00 H new ATOM 866 N GLU A 56 4.086 -3.509 6.008 1.00 0.00 N ATOM 867 CA GLU A 56 4.460 -4.746 6.685 1.00 0.00 C ATOM 868 C GLU A 56 4.243 -5.964 5.781 1.00 0.00 C ATOM 869 O GLU A 56 5.128 -6.810 5.668 1.00 0.00 O ATOM 870 CB GLU A 56 3.674 -4.913 7.986 1.00 0.00 C ATOM 871 CG GLU A 56 4.157 -6.080 8.833 1.00 0.00 C ATOM 872 CD GLU A 56 3.141 -6.503 9.878 1.00 0.00 C ATOM 873 OE1 GLU A 56 3.163 -5.937 10.990 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.325 -7.401 9.582 1.00 0.00 O ATOM 0 H GLU A 56 3.343 -2.982 6.467 1.00 0.00 H new ATOM 0 HA GLU A 56 5.522 -4.681 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.749 -3.995 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.620 -5.056 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.380 -6.927 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.088 -5.804 9.328 1.00 0.00 H new ATOM 881 N PRO A 57 3.059 -6.084 5.135 1.00 0.00 N ATOM 882 CA PRO A 57 2.764 -7.209 4.237 1.00 0.00 C ATOM 883 C PRO A 57 3.910 -7.490 3.276 1.00 0.00 C ATOM 884 O PRO A 57 4.344 -8.629 3.122 1.00 0.00 O ATOM 885 CB PRO A 57 1.538 -6.722 3.468 1.00 0.00 C ATOM 886 CG PRO A 57 0.840 -5.813 4.418 1.00 0.00 C ATOM 887 CD PRO A 57 1.919 -5.145 5.224 1.00 0.00 C ATOM 0 HA PRO A 57 2.608 -8.141 4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.824 -6.199 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.899 -7.554 3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.240 -5.076 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.160 -6.370 5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.174 -4.166 4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.608 -4.990 6.257 1.00 0.00 H new ATOM 895 N LEU A 58 4.397 -6.437 2.643 1.00 0.00 N ATOM 896 CA LEU A 58 5.486 -6.551 1.685 1.00 0.00 C ATOM 897 C LEU A 58 6.715 -7.217 2.300 1.00 0.00 C ATOM 898 O LEU A 58 7.444 -7.933 1.619 1.00 0.00 O ATOM 899 CB LEU A 58 5.861 -5.167 1.149 1.00 0.00 C ATOM 900 CG LEU A 58 4.702 -4.171 1.041 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.173 -2.873 0.405 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.548 -4.767 0.247 1.00 0.00 C ATOM 0 H LEU A 58 4.053 -5.486 2.776 1.00 0.00 H new ATOM 0 HA LEU A 58 5.139 -7.181 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.626 -4.740 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.309 -5.287 0.162 1.00 0.00 H new ATOM 0 HG LEU A 58 4.345 -3.954 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.337 -2.177 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.961 -2.434 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.559 -3.076 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.737 -4.042 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.889 -5.019 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.191 -5.668 0.745 1.00 0.00 H new ATOM 914 N ILE A 59 6.937 -6.988 3.589 1.00 0.00 N ATOM 915 CA ILE A 59 8.094 -7.559 4.271 1.00 0.00 C ATOM 916 C ILE A 59 8.124 -9.083 4.164 1.00 0.00 C ATOM 917 O ILE A 59 9.066 -9.654 3.613 1.00 0.00 O ATOM 918 CB ILE A 59 8.119 -7.161 5.760 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.010 -5.640 5.911 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.386 -7.679 6.427 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.157 -4.875 5.283 1.00 0.00 C ATOM 0 H ILE A 59 6.336 -6.415 4.181 1.00 0.00 H new ATOM 0 HA ILE A 59 8.975 -7.154 3.772 1.00 0.00 H new ATOM 0 HB ILE A 59 7.261 -7.615 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.075 -5.307 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.959 -5.393 6.971 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.388 -7.390 7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.420 -8.766 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.258 -7.253 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.006 -3.806 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.095 -5.178 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.196 -5.090 4.215 1.00 0.00 H new ATOM 933 N LYS A 60 7.092 -9.739 4.690 1.00 0.00 N ATOM 934 CA LYS A 60 7.017 -11.199 4.657 1.00 0.00 C ATOM 935 C LYS A 60 6.774 -11.723 3.244 1.00 0.00 C ATOM 936 O LYS A 60 7.322 -12.748 2.847 1.00 0.00 O ATOM 937 CB LYS A 60 5.911 -11.713 5.585 1.00 0.00 C ATOM 938 CG LYS A 60 5.593 -10.784 6.745 1.00 0.00 C ATOM 939 CD LYS A 60 4.361 -9.943 6.456 1.00 0.00 C ATOM 940 CE LYS A 60 3.090 -10.777 6.516 1.00 0.00 C ATOM 941 NZ LYS A 60 1.870 -9.954 6.297 1.00 0.00 N ATOM 0 H LYS A 60 6.299 -9.285 5.143 1.00 0.00 H new ATOM 0 HA LYS A 60 7.981 -11.571 5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.005 -11.870 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.207 -12.684 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.432 -11.370 7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.445 -10.131 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.298 -9.129 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.453 -9.488 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.137 -11.563 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.025 -11.269 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.129 -10.246 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.097 -8.950 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.530 -10.089 5.323 1.00 0.00 H new ATOM 955 N LEU A 61 5.943 -11.006 2.498 1.00 0.00 N ATOM 956 CA LEU A 61 5.577 -11.389 1.135 1.00 0.00 C ATOM 957 C LEU A 61 6.783 -11.542 0.217 1.00 0.00 C ATOM 958 O LEU A 61 6.911 -12.546 -0.482 1.00 0.00 O ATOM 959 CB LEU A 61 4.617 -10.356 0.556 1.00 0.00 C ATOM 960 CG LEU A 61 3.143 -10.573 0.897 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.974 -11.152 2.297 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.381 -9.266 0.769 1.00 0.00 C ATOM 0 H LEU A 61 5.503 -10.143 2.818 1.00 0.00 H new ATOM 0 HA LEU A 61 5.097 -12.366 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.914 -9.369 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.725 -10.351 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 61 2.736 -11.295 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.914 -11.294 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.487 -12.112 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.400 -10.465 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.332 -9.431 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.802 -8.531 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.461 -8.897 -0.253 1.00 0.00 H new ATOM 974 N LEU A 62 7.659 -10.547 0.216 1.00 0.00 N ATOM 975 CA LEU A 62 8.844 -10.580 -0.625 1.00 0.00 C ATOM 976 C LEU A 62 9.708 -11.780 -0.261 1.00 0.00 C ATOM 977 O LEU A 62 10.669 -12.109 -0.955 1.00 0.00 O ATOM 978 CB LEU A 62 9.628 -9.276 -0.476 1.00 0.00 C ATOM 979 CG LEU A 62 8.866 -8.019 -0.910 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.525 -6.769 -0.348 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.787 -7.942 -2.427 1.00 0.00 C ATOM 0 H LEU A 62 7.570 -9.708 0.789 1.00 0.00 H new ATOM 0 HA LEU A 62 8.542 -10.680 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.924 -9.163 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.544 -9.350 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 62 7.853 -8.079 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.968 -5.889 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.530 -6.819 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.550 -6.703 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.243 -7.044 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.794 -7.907 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.267 -8.821 -2.809 1.00 0.00 H new ATOM 993 N GLU A 63 9.347 -12.429 0.841 1.00 0.00 N ATOM 994 CA GLU A 63 10.061 -13.600 1.318 1.00 0.00 C ATOM 995 C GLU A 63 9.151 -14.828 1.321 1.00 0.00 C ATOM 996 O GLU A 63 9.615 -15.957 1.483 1.00 0.00 O ATOM 997 CB GLU A 63 10.587 -13.340 2.727 1.00 0.00 C ATOM 998 CG GLU A 63 11.707 -12.316 2.778 1.00 0.00 C ATOM 999 CD GLU A 63 12.276 -12.144 4.174 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.672 -11.399 4.973 1.00 0.00 O ATOM 1001 OE2 GLU A 63 13.326 -12.755 4.465 1.00 0.00 O ATOM 0 H GLU A 63 8.555 -12.157 1.423 1.00 0.00 H new ATOM 0 HA GLU A 63 10.897 -13.795 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.765 -12.998 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.944 -14.278 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.504 -12.620 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.334 -11.356 2.421 1.00 0.00 H new ATOM 1008 N ASP A 64 7.851 -14.598 1.145 1.00 0.00 N ATOM 1009 CA ASP A 64 6.869 -15.679 1.137 1.00 0.00 C ATOM 1010 C ASP A 64 7.146 -16.663 0.013 1.00 0.00 C ATOM 1011 O ASP A 64 7.158 -17.877 0.216 1.00 0.00 O ATOM 1012 CB ASP A 64 5.453 -15.113 1.013 1.00 0.00 C ATOM 1013 CG ASP A 64 4.414 -16.010 1.657 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.634 -16.440 2.809 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.378 -16.275 1.014 1.00 0.00 O ATOM 0 H ASP A 64 7.453 -13.669 1.006 1.00 0.00 H new ATOM 0 HA ASP A 64 6.951 -16.215 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.416 -14.128 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.210 -14.978 -0.041 1.00 0.00 H new ATOM 1020 N ASP A 65 7.355 -16.114 -1.169 1.00 0.00 N ATOM 1021 CA ASP A 65 7.648 -16.902 -2.363 1.00 0.00 C ATOM 1022 C ASP A 65 6.425 -17.703 -2.797 1.00 0.00 C ATOM 1023 O ASP A 65 6.541 -18.697 -3.513 1.00 0.00 O ATOM 1024 CB ASP A 65 8.833 -17.840 -2.110 1.00 0.00 C ATOM 1025 CG ASP A 65 9.353 -18.484 -3.380 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.052 -17.794 -4.151 1.00 0.00 O ATOM 1027 OD2 ASP A 65 9.062 -19.678 -3.602 1.00 0.00 O ATOM 0 H ASP A 65 7.327 -15.108 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 65 7.912 -16.214 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.639 -17.280 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.531 -18.619 -1.410 1.00 0.00 H new ATOM 1032 N SER A 66 5.249 -17.260 -2.363 1.00 0.00 N ATOM 1033 CA SER A 66 4.009 -17.942 -2.706 1.00 0.00 C ATOM 1034 C SER A 66 3.462 -17.456 -4.047 1.00 0.00 C ATOM 1035 O SER A 66 2.321 -17.748 -4.404 1.00 0.00 O ATOM 1036 CB SER A 66 2.969 -17.730 -1.608 1.00 0.00 C ATOM 1037 OG SER A 66 3.292 -18.480 -0.449 1.00 0.00 O ATOM 0 H SER A 66 5.130 -16.435 -1.775 1.00 0.00 H new ATOM 0 HA SER A 66 4.225 -19.007 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.912 -16.671 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.985 -18.024 -1.973 1.00 0.00 H new ATOM 0 HG SER A 66 3.191 -17.915 0.345 1.00 0.00 H new ATOM 1043 N GLY A 67 4.285 -16.717 -4.785 1.00 0.00 N ATOM 1044 CA GLY A 67 3.867 -16.209 -6.080 1.00 0.00 C ATOM 1045 C GLY A 67 2.927 -15.025 -5.966 1.00 0.00 C ATOM 1046 O GLY A 67 3.365 -13.900 -5.734 1.00 0.00 O ATOM 0 H GLY A 67 5.233 -16.461 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.747 -15.916 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.375 -17.006 -6.637 1.00 0.00 H new ATOM 1050 N PHE A 68 1.634 -15.282 -6.134 1.00 0.00 N ATOM 1051 CA PHE A 68 0.616 -14.236 -6.046 1.00 0.00 C ATOM 1052 C PHE A 68 0.851 -13.363 -4.816 1.00 0.00 C ATOM 1053 O PHE A 68 0.634 -12.151 -4.844 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.775 -14.877 -5.972 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.896 -14.050 -6.552 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.788 -12.671 -6.699 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.073 -14.666 -6.949 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.829 -11.934 -7.229 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.116 -13.933 -7.479 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.995 -12.565 -7.619 1.00 0.00 C ATOM 0 H PHE A 68 1.263 -16.211 -6.333 1.00 0.00 H new ATOM 0 HA PHE A 68 0.680 -13.608 -6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.744 -15.834 -6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.004 -15.089 -4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.880 -12.171 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.175 -15.736 -6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.732 -10.864 -7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.026 -14.429 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.810 -11.989 -8.032 1.00 0.00 H new ATOM 1070 N VAL A 69 1.296 -13.996 -3.737 1.00 0.00 N ATOM 1071 CA VAL A 69 1.564 -13.301 -2.485 1.00 0.00 C ATOM 1072 C VAL A 69 2.838 -12.459 -2.559 1.00 0.00 C ATOM 1073 O VAL A 69 2.845 -11.296 -2.157 1.00 0.00 O ATOM 1074 CB VAL A 69 1.680 -14.300 -1.320 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.714 -13.574 0.014 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.533 -15.298 -1.363 1.00 0.00 C ATOM 0 H VAL A 69 1.480 -14.999 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 69 0.721 -12.632 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 69 2.617 -14.847 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.796 -14.301 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.572 -12.903 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.798 -12.997 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.629 -15.998 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.415 -14.766 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.562 -15.846 -2.305 1.00 0.00 H new ATOM 1086 N ARG A 70 3.915 -13.050 -3.074 1.00 0.00 N ATOM 1087 CA ARG A 70 5.194 -12.349 -3.186 1.00 0.00 C ATOM 1088 C ARG A 70 5.154 -11.280 -4.276 1.00 0.00 C ATOM 1089 O ARG A 70 5.320 -10.093 -3.997 1.00 0.00 O ATOM 1090 CB ARG A 70 6.327 -13.339 -3.472 1.00 0.00 C ATOM 1091 CG ARG A 70 7.703 -12.692 -3.486 1.00 0.00 C ATOM 1092 CD ARG A 70 8.762 -13.636 -4.034 1.00 0.00 C ATOM 1093 NE ARG A 70 9.403 -14.416 -2.980 1.00 0.00 N ATOM 1094 CZ ARG A 70 10.591 -14.995 -3.115 1.00 0.00 C ATOM 1095 NH1 ARG A 70 11.251 -14.894 -4.262 1.00 0.00 N ATOM 1096 NH2 ARG A 70 11.120 -15.675 -2.108 1.00 0.00 N ATOM 0 H ARG A 70 3.928 -14.010 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 70 5.380 -11.856 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.311 -14.126 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.148 -13.817 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.673 -11.787 -4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.973 -12.389 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.305 -14.312 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.518 -13.061 -4.569 1.00 0.00 H new ATOM 0 HE ARG A 70 8.912 -14.522 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.846 -14.372 -5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.163 -15.338 -4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.615 -15.755 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.032 -16.118 -2.215 1.00 0.00 H new ATOM 1110 N SER A 71 4.928 -11.709 -5.516 1.00 0.00 N ATOM 1111 CA SER A 71 4.871 -10.792 -6.653 1.00 0.00 C ATOM 1112 C SER A 71 3.929 -9.625 -6.378 1.00 0.00 C ATOM 1113 O SER A 71 4.140 -8.518 -6.870 1.00 0.00 O ATOM 1114 CB SER A 71 4.409 -11.536 -7.908 1.00 0.00 C ATOM 1115 OG SER A 71 3.105 -12.067 -7.734 1.00 0.00 O ATOM 0 H SER A 71 4.781 -12.689 -5.760 1.00 0.00 H new ATOM 0 HA SER A 71 5.874 -10.396 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.418 -10.858 -8.761 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.107 -12.342 -8.134 1.00 0.00 H new ATOM 0 HG SER A 71 3.119 -12.742 -7.024 1.00 0.00 H new ATOM 1121 N GLY A 72 2.894 -9.879 -5.586 1.00 0.00 N ATOM 1122 CA GLY A 72 1.941 -8.835 -5.262 1.00 0.00 C ATOM 1123 C GLY A 72 2.568 -7.686 -4.502 1.00 0.00 C ATOM 1124 O GLY A 72 2.242 -6.524 -4.740 1.00 0.00 O ATOM 0 H GLY A 72 2.698 -10.787 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.496 -8.457 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.132 -9.259 -4.668 1.00 0.00 H new ATOM 1128 N ALA A 73 3.468 -8.013 -3.584 1.00 0.00 N ATOM 1129 CA ALA A 73 4.144 -7.002 -2.784 1.00 0.00 C ATOM 1130 C ALA A 73 5.180 -6.245 -3.606 1.00 0.00 C ATOM 1131 O ALA A 73 5.448 -5.072 -3.349 1.00 0.00 O ATOM 1132 CB ALA A 73 4.799 -7.644 -1.572 1.00 0.00 C ATOM 0 H ALA A 73 3.747 -8.972 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 73 3.396 -6.284 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.301 -6.878 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.038 -8.131 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.528 -8.384 -1.902 1.00 0.00 H new ATOM 1138 N ALA A 74 5.756 -6.920 -4.596 1.00 0.00 N ATOM 1139 CA ALA A 74 6.770 -6.314 -5.452 1.00 0.00 C ATOM 1140 C ALA A 74 6.268 -5.020 -6.091 1.00 0.00 C ATOM 1141 O ALA A 74 6.970 -4.009 -6.101 1.00 0.00 O ATOM 1142 CB ALA A 74 7.206 -7.297 -6.526 1.00 0.00 C ATOM 0 H ALA A 74 5.537 -7.889 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 74 7.627 -6.064 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.963 -6.833 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.622 -8.188 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.346 -7.576 -7.135 1.00 0.00 H new ATOM 1148 N ARG A 75 5.051 -5.060 -6.625 1.00 0.00 N ATOM 1149 CA ARG A 75 4.458 -3.894 -7.271 1.00 0.00 C ATOM 1150 C ARG A 75 3.901 -2.912 -6.244 1.00 0.00 C ATOM 1151 O ARG A 75 3.647 -1.750 -6.561 1.00 0.00 O ATOM 1152 CB ARG A 75 3.350 -4.328 -8.235 1.00 0.00 C ATOM 1153 CG ARG A 75 2.443 -5.405 -7.667 1.00 0.00 C ATOM 1154 CD ARG A 75 1.343 -5.783 -8.646 1.00 0.00 C ATOM 1155 NE ARG A 75 1.878 -6.152 -9.955 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.577 -5.516 -11.086 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.747 -4.481 -11.073 1.00 0.00 N ATOM 1158 NH2 ARG A 75 2.109 -5.918 -12.232 1.00 0.00 N ATOM 0 H ARG A 75 4.456 -5.888 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 75 5.244 -3.388 -7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.748 -3.459 -8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.803 -4.694 -9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.034 -6.288 -7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.998 -5.053 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.768 -6.616 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.654 -4.946 -8.759 1.00 0.00 H new ATOM 0 HE ARG A 75 2.520 -6.943 -10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.336 -4.168 -10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.520 -3.998 -11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.748 -6.713 -12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.880 -5.432 -13.099 1.00 0.00 H new ATOM 1172 N SER A 76 3.709 -3.383 -5.014 1.00 0.00 N ATOM 1173 CA SER A 76 3.186 -2.536 -3.949 1.00 0.00 C ATOM 1174 C SER A 76 4.147 -1.391 -3.628 1.00 0.00 C ATOM 1175 O SER A 76 3.724 -0.246 -3.469 1.00 0.00 O ATOM 1176 CB SER A 76 2.922 -3.367 -2.692 1.00 0.00 C ATOM 1177 OG SER A 76 2.407 -2.562 -1.647 1.00 0.00 O ATOM 0 H SER A 76 3.907 -4.343 -4.732 1.00 0.00 H new ATOM 0 HA SER A 76 2.247 -2.104 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.216 -4.165 -2.922 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.847 -3.843 -2.366 1.00 0.00 H new ATOM 0 HG SER A 76 1.585 -2.965 -1.298 1.00 0.00 H new ATOM 1183 N LEU A 77 5.440 -1.702 -3.534 1.00 0.00 N ATOM 1184 CA LEU A 77 6.446 -0.684 -3.231 1.00 0.00 C ATOM 1185 C LEU A 77 6.437 0.426 -4.276 1.00 0.00 C ATOM 1186 O LEU A 77 6.207 1.590 -3.955 1.00 0.00 O ATOM 1187 CB LEU A 77 7.843 -1.306 -3.152 1.00 0.00 C ATOM 1188 CG LEU A 77 8.130 -2.107 -1.880 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.587 -3.521 -2.002 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.622 -2.130 -1.591 1.00 0.00 C ATOM 0 H LEU A 77 5.813 -2.643 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 77 6.194 -0.253 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.981 -1.960 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.583 -0.510 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 77 7.625 -1.619 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.802 -4.073 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.509 -3.484 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.060 -4.021 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.808 -2.704 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.147 -2.593 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.982 -1.110 -1.456 1.00 0.00 H new ATOM 1202 N GLU A 78 6.693 0.056 -5.527 1.00 0.00 N ATOM 1203 CA GLU A 78 6.709 1.015 -6.629 1.00 0.00 C ATOM 1204 C GLU A 78 5.439 1.863 -6.640 1.00 0.00 C ATOM 1205 O GLU A 78 5.487 3.065 -6.905 1.00 0.00 O ATOM 1206 CB GLU A 78 6.862 0.277 -7.962 1.00 0.00 C ATOM 1207 CG GLU A 78 7.028 1.197 -9.162 1.00 0.00 C ATOM 1208 CD GLU A 78 5.708 1.736 -9.676 1.00 0.00 C ATOM 1209 OE1 GLU A 78 4.893 0.932 -10.176 1.00 0.00 O ATOM 1210 OE2 GLU A 78 5.488 2.961 -9.578 1.00 0.00 O ATOM 0 H GLU A 78 6.893 -0.905 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 78 7.559 1.682 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.726 -0.385 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.987 -0.354 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.674 2.031 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.530 0.655 -9.963 1.00 0.00 H new ATOM 1217 N GLN A 79 4.308 1.231 -6.345 1.00 0.00 N ATOM 1218 CA GLN A 79 3.024 1.925 -6.323 1.00 0.00 C ATOM 1219 C GLN A 79 3.055 3.120 -5.375 1.00 0.00 C ATOM 1220 O GLN A 79 2.481 4.169 -5.666 1.00 0.00 O ATOM 1221 CB GLN A 79 1.911 0.960 -5.908 1.00 0.00 C ATOM 1222 CG GLN A 79 1.238 0.265 -7.078 1.00 0.00 C ATOM 1223 CD GLN A 79 0.675 -1.095 -6.709 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.585 -1.990 -7.550 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.295 -1.258 -5.446 1.00 0.00 N ATOM 0 H GLN A 79 4.254 0.238 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 79 2.826 2.295 -7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.327 0.206 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.159 1.509 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.433 0.896 -7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.958 0.148 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.387 -0.489 -4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.089 -2.152 -5.140 1.00 0.00 H new ATOM 1234 N ILE A 80 3.731 2.958 -4.242 1.00 0.00 N ATOM 1235 CA ILE A 80 3.830 4.025 -3.252 1.00 0.00 C ATOM 1236 C ILE A 80 5.002 4.956 -3.551 1.00 0.00 C ATOM 1237 O ILE A 80 4.814 6.152 -3.772 1.00 0.00 O ATOM 1238 CB ILE A 80 3.989 3.454 -1.829 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.858 2.466 -1.530 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.006 4.583 -0.807 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.030 1.719 -0.224 1.00 0.00 C ATOM 0 H ILE A 80 4.218 2.099 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 80 2.902 4.593 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 80 4.938 2.921 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.912 3.007 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.793 1.745 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.119 4.166 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.840 5.252 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.071 5.140 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.191 1.038 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.959 1.149 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.064 2.431 0.601 1.00 0.00 H new ATOM 1253 N GLY A 81 6.209 4.400 -3.557 1.00 0.00 N ATOM 1254 CA GLY A 81 7.392 5.196 -3.827 1.00 0.00 C ATOM 1255 C GLY A 81 7.643 6.243 -2.760 1.00 0.00 C ATOM 1256 O GLY A 81 7.101 7.347 -2.825 1.00 0.00 O ATOM 0 H GLY A 81 6.389 3.412 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.259 4.540 -3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.283 5.686 -4.794 1.00 0.00 H new ATOM 1260 N GLY A 82 8.468 5.897 -1.775 1.00 0.00 N ATOM 1261 CA GLY A 82 8.771 6.828 -0.704 1.00 0.00 C ATOM 1262 C GLY A 82 9.719 6.247 0.329 1.00 0.00 C ATOM 1263 O GLY A 82 10.232 5.142 0.159 1.00 0.00 O ATOM 0 H GLY A 82 8.930 4.991 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.211 7.731 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.844 7.125 -0.214 1.00 0.00 H new ATOM 1267 N GLU A 83 9.947 6.999 1.402 1.00 0.00 N ATOM 1268 CA GLU A 83 10.842 6.568 2.472 1.00 0.00 C ATOM 1269 C GLU A 83 10.264 5.375 3.228 1.00 0.00 C ATOM 1270 O GLU A 83 11.002 4.523 3.724 1.00 0.00 O ATOM 1271 CB GLU A 83 11.090 7.725 3.441 1.00 0.00 C ATOM 1272 CG GLU A 83 12.120 7.414 4.513 1.00 0.00 C ATOM 1273 CD GLU A 83 12.313 8.564 5.482 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.507 8.686 6.428 1.00 0.00 O ATOM 1275 OE2 GLU A 83 13.270 9.345 5.293 1.00 0.00 O ATOM 0 H GLU A 83 9.522 7.914 1.554 1.00 0.00 H new ATOM 0 HA GLU A 83 11.786 6.261 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.419 8.597 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.149 7.993 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.810 6.526 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.073 7.178 4.039 1.00 0.00 H new ATOM 1282 N ARG A 84 8.939 5.327 3.315 1.00 0.00 N ATOM 1283 CA ARG A 84 8.254 4.244 4.013 1.00 0.00 C ATOM 1284 C ARG A 84 8.571 2.891 3.375 1.00 0.00 C ATOM 1285 O ARG A 84 9.047 1.978 4.047 1.00 0.00 O ATOM 1286 CB ARG A 84 6.735 4.487 4.044 1.00 0.00 C ATOM 1287 CG ARG A 84 6.053 4.501 2.676 1.00 0.00 C ATOM 1288 CD ARG A 84 6.472 5.698 1.831 1.00 0.00 C ATOM 1289 NE ARG A 84 6.384 6.952 2.578 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.234 8.145 2.009 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.146 8.252 0.689 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.170 9.235 2.761 1.00 0.00 N ATOM 0 H ARG A 84 8.317 6.027 2.910 1.00 0.00 H new ATOM 0 HA ARG A 84 8.618 4.226 5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.271 3.713 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.545 5.440 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.294 3.581 2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.972 4.516 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.494 5.555 1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.838 5.757 0.946 1.00 0.00 H new ATOM 0 HE ARG A 84 6.441 6.909 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.193 7.417 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.031 9.169 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.236 9.159 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.055 10.150 2.325 1.00 0.00 H new ATOM 1306 N VAL A 85 8.303 2.769 2.079 1.00 0.00 N ATOM 1307 CA VAL A 85 8.572 1.531 1.357 1.00 0.00 C ATOM 1308 C VAL A 85 10.069 1.318 1.184 1.00 0.00 C ATOM 1309 O VAL A 85 10.523 0.201 0.940 1.00 0.00 O ATOM 1310 CB VAL A 85 7.883 1.502 -0.021 1.00 0.00 C ATOM 1311 CG1 VAL A 85 6.451 1.014 0.114 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.923 2.875 -0.673 1.00 0.00 C ATOM 0 H VAL A 85 7.900 3.512 1.508 1.00 0.00 H new ATOM 0 HA VAL A 85 8.159 0.721 1.959 1.00 0.00 H new ATOM 0 HB VAL A 85 8.426 0.807 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.978 0.999 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.447 0.008 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.899 1.684 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.431 2.831 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.407 3.595 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.960 3.185 -0.805 1.00 0.00 H new ATOM 1322 N ARG A 86 10.829 2.403 1.296 1.00 0.00 N ATOM 1323 CA ARG A 86 12.280 2.337 1.165 1.00 0.00 C ATOM 1324 C ARG A 86 12.844 1.329 2.163 1.00 0.00 C ATOM 1325 O ARG A 86 13.845 0.663 1.896 1.00 0.00 O ATOM 1326 CB ARG A 86 12.892 3.723 1.399 1.00 0.00 C ATOM 1327 CG ARG A 86 14.186 3.968 0.634 1.00 0.00 C ATOM 1328 CD ARG A 86 15.349 3.183 1.218 1.00 0.00 C ATOM 1329 NE ARG A 86 16.608 3.483 0.539 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.644 2.650 0.501 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.566 1.461 1.082 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.758 3.006 -0.125 1.00 0.00 N ATOM 0 H ARG A 86 10.464 3.338 1.477 1.00 0.00 H new ATOM 0 HA ARG A 86 12.535 2.012 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.164 4.483 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.083 3.849 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.048 3.689 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.422 5.032 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.445 3.413 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.141 2.116 1.141 1.00 0.00 H new ATOM 0 HE ARG A 86 16.697 4.383 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.709 1.182 1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.363 0.825 1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.820 3.918 -0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.553 2.367 -0.154 1.00 0.00 H new ATOM 1346 N ALA A 87 12.180 1.214 3.309 1.00 0.00 N ATOM 1347 CA ALA A 87 12.601 0.289 4.351 1.00 0.00 C ATOM 1348 C ALA A 87 12.210 -1.143 3.997 1.00 0.00 C ATOM 1349 O ALA A 87 12.812 -2.102 4.480 1.00 0.00 O ATOM 1350 CB ALA A 87 11.997 0.695 5.687 1.00 0.00 C ATOM 0 H ALA A 87 11.345 1.753 3.538 1.00 0.00 H new ATOM 0 HA ALA A 87 13.687 0.331 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.319 -0.004 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.329 1.700 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.910 0.680 5.614 1.00 0.00 H new ATOM 1356 N ALA A 88 11.191 -1.280 3.154 1.00 0.00 N ATOM 1357 CA ALA A 88 10.718 -2.591 2.726 1.00 0.00 C ATOM 1358 C ALA A 88 11.708 -3.269 1.780 1.00 0.00 C ATOM 1359 O ALA A 88 11.996 -4.457 1.926 1.00 0.00 O ATOM 1360 CB ALA A 88 9.354 -2.467 2.063 1.00 0.00 C ATOM 0 H ALA A 88 10.676 -0.496 2.753 1.00 0.00 H new ATOM 0 HA ALA A 88 10.629 -3.217 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.012 -3.453 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.642 -2.045 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.430 -1.814 1.193 1.00 0.00 H new ATOM 1366 N MET A 89 12.228 -2.516 0.812 1.00 0.00 N ATOM 1367 CA MET A 89 13.172 -3.071 -0.155 1.00 0.00 C ATOM 1368 C MET A 89 14.535 -3.347 0.471 1.00 0.00 C ATOM 1369 O MET A 89 15.238 -4.262 0.051 1.00 0.00 O ATOM 1370 CB MET A 89 13.317 -2.160 -1.382 1.00 0.00 C ATOM 1371 CG MET A 89 13.734 -0.726 -1.079 1.00 0.00 C ATOM 1372 SD MET A 89 15.421 -0.574 -0.452 1.00 0.00 S ATOM 1373 CE MET A 89 16.335 -1.514 -1.671 1.00 0.00 C ATOM 0 H MET A 89 12.014 -1.528 0.677 1.00 0.00 H new ATOM 0 HA MET A 89 12.760 -4.025 -0.484 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.051 -2.600 -2.057 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.366 -2.140 -1.914 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.639 -0.130 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.045 -0.304 -0.347 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.395 -1.268 -1.600 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.197 -2.579 -1.488 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.971 -1.267 -2.668 1.00 0.00 H new ATOM 1383 N GLU A 90 14.912 -2.558 1.470 1.00 0.00 N ATOM 1384 CA GLU A 90 16.198 -2.749 2.129 1.00 0.00 C ATOM 1385 C GLU A 90 16.130 -3.951 3.060 1.00 0.00 C ATOM 1386 O GLU A 90 17.134 -4.622 3.301 1.00 0.00 O ATOM 1387 CB GLU A 90 16.611 -1.490 2.896 1.00 0.00 C ATOM 1388 CG GLU A 90 15.677 -1.128 4.034 1.00 0.00 C ATOM 1389 CD GLU A 90 15.968 -1.903 5.305 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.099 -1.789 5.822 1.00 0.00 O ATOM 1391 OE2 GLU A 90 15.065 -2.619 5.786 1.00 0.00 O ATOM 0 H GLU A 90 14.353 -1.788 1.838 1.00 0.00 H new ATOM 0 HA GLU A 90 16.955 -2.937 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.615 -1.633 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.661 -0.653 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 90 15.758 -0.060 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.648 -1.316 3.727 1.00 0.00 H new ATOM 1398 N LYS A 91 14.936 -4.215 3.580 1.00 0.00 N ATOM 1399 CA LYS A 91 14.731 -5.353 4.467 1.00 0.00 C ATOM 1400 C LYS A 91 14.790 -6.647 3.671 1.00 0.00 C ATOM 1401 O LYS A 91 15.192 -7.689 4.189 1.00 0.00 O ATOM 1402 CB LYS A 91 13.386 -5.238 5.188 1.00 0.00 C ATOM 1403 CG LYS A 91 13.478 -5.422 6.694 1.00 0.00 C ATOM 1404 CD LYS A 91 14.005 -6.800 7.061 1.00 0.00 C ATOM 1405 CE LYS A 91 13.996 -7.015 8.566 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.898 -6.060 9.267 1.00 0.00 N ATOM 0 H LYS A 91 14.099 -3.659 3.403 1.00 0.00 H new ATOM 0 HA LYS A 91 15.523 -5.359 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.954 -4.260 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.702 -5.983 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.132 -4.658 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.493 -5.279 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.395 -7.564 6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.020 -6.916 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.980 -6.899 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.304 -8.036 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.983 -6.333 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.838 -6.079 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.504 -5.100 9.203 1.00 0.00 H new ATOM 1420 N LEU A 92 14.381 -6.574 2.408 1.00 0.00 N ATOM 1421 CA LEU A 92 14.401 -7.729 1.539 1.00 0.00 C ATOM 1422 C LEU A 92 15.768 -7.836 0.872 1.00 0.00 C ATOM 1423 O LEU A 92 16.244 -8.928 0.581 1.00 0.00 O ATOM 1424 CB LEU A 92 13.277 -7.621 0.505 1.00 0.00 C ATOM 1425 CG LEU A 92 13.612 -8.125 -0.896 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.729 -9.643 -0.913 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.560 -7.658 -1.887 1.00 0.00 C ATOM 0 H LEU A 92 14.032 -5.722 1.970 1.00 0.00 H new ATOM 0 HA LEU A 92 14.232 -8.636 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.415 -8.177 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.975 -6.576 0.432 1.00 0.00 H new ATOM 0 HG LEU A 92 14.576 -7.710 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.968 -9.978 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.519 -9.955 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.783 -10.084 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.810 -8.024 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.585 -8.046 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.529 -6.569 -1.898 1.00 0.00 H new ATOM 1439 N ALA A 93 16.388 -6.684 0.632 1.00 0.00 N ATOM 1440 CA ALA A 93 17.711 -6.637 0.023 1.00 0.00 C ATOM 1441 C ALA A 93 18.713 -7.409 0.870 1.00 0.00 C ATOM 1442 O ALA A 93 19.728 -7.893 0.368 1.00 0.00 O ATOM 1443 CB ALA A 93 18.168 -5.197 -0.135 1.00 0.00 C ATOM 0 H ALA A 93 15.993 -5.769 0.851 1.00 0.00 H new ATOM 0 HA ALA A 93 17.653 -7.100 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.158 -5.177 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.465 -4.660 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.210 -4.719 0.844 1.00 0.00 H new ATOM 1449 N GLU A 94 18.411 -7.522 2.158 1.00 0.00 N ATOM 1450 CA GLU A 94 19.273 -8.231 3.093 1.00 0.00 C ATOM 1451 C GLU A 94 19.044 -9.734 2.981 1.00 0.00 C ATOM 1452 O GLU A 94 19.932 -10.534 3.274 1.00 0.00 O ATOM 1453 CB GLU A 94 18.998 -7.761 4.523 1.00 0.00 C ATOM 1454 CG GLU A 94 19.950 -8.344 5.551 1.00 0.00 C ATOM 1455 CD GLU A 94 21.357 -7.790 5.426 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.160 -8.375 4.671 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.654 -6.773 6.088 1.00 0.00 O ATOM 0 H GLU A 94 17.570 -7.129 2.580 1.00 0.00 H new ATOM 0 HA GLU A 94 20.312 -8.015 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.062 -6.673 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.977 -8.029 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.570 -8.137 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.979 -9.428 5.440 1.00 0.00 H new ATOM 1464 N THR A 95 17.841 -10.105 2.552 1.00 0.00 N ATOM 1465 CA THR A 95 17.484 -11.507 2.375 1.00 0.00 C ATOM 1466 C THR A 95 17.073 -11.746 0.930 1.00 0.00 C ATOM 1467 O THR A 95 16.290 -12.648 0.627 1.00 0.00 O ATOM 1468 CB THR A 95 16.328 -11.919 3.309 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.154 -11.158 3.001 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.705 -11.706 4.767 1.00 0.00 C ATOM 0 H THR A 95 17.095 -9.450 2.320 1.00 0.00 H new ATOM 0 HA THR A 95 18.356 -12.112 2.626 1.00 0.00 H new ATOM 0 HB THR A 95 16.127 -12.979 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.656 -10.976 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.873 -12.004 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.581 -12.308 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.931 -10.653 4.934 1.00 0.00 H new ATOM 1478 N GLY A 96 17.625 -10.924 0.044 1.00 0.00 N ATOM 1479 CA GLY A 96 17.312 -11.011 -1.367 1.00 0.00 C ATOM 1480 C GLY A 96 17.523 -12.389 -1.952 1.00 0.00 C ATOM 1481 O GLY A 96 18.608 -12.964 -1.847 1.00 0.00 O ATOM 0 H GLY A 96 18.292 -10.191 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.274 -10.717 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.929 -10.296 -1.912 1.00 0.00 H new ATOM 1485 N THR A 97 16.475 -12.917 -2.570 1.00 0.00 N ATOM 1486 CA THR A 97 16.535 -14.229 -3.198 1.00 0.00 C ATOM 1487 C THR A 97 15.582 -14.311 -4.388 1.00 0.00 C ATOM 1488 O THR A 97 14.408 -13.957 -4.283 1.00 0.00 O ATOM 1489 CB THR A 97 16.194 -15.350 -2.197 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.174 -16.617 -2.865 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.845 -15.100 -1.538 1.00 0.00 C ATOM 0 H THR A 97 15.570 -12.454 -2.650 1.00 0.00 H new ATOM 0 HA THR A 97 17.559 -14.368 -3.546 1.00 0.00 H new ATOM 0 HB THR A 97 16.963 -15.358 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.958 -17.323 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.628 -15.905 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.872 -14.150 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.068 -15.065 -2.302 1.00 0.00 H new ATOM 1499 N GLY A 98 16.097 -14.779 -5.522 1.00 0.00 N ATOM 1500 CA GLY A 98 15.282 -14.903 -6.718 1.00 0.00 C ATOM 1501 C GLY A 98 14.691 -13.581 -7.169 1.00 0.00 C ATOM 1502 O GLY A 98 15.306 -12.528 -7.004 1.00 0.00 O ATOM 0 H GLY A 98 17.067 -15.075 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.888 -15.318 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.475 -15.611 -6.530 1.00 0.00 H new ATOM 1506 N PHE A 99 13.492 -13.644 -7.742 1.00 0.00 N ATOM 1507 CA PHE A 99 12.803 -12.452 -8.229 1.00 0.00 C ATOM 1508 C PHE A 99 12.615 -11.422 -7.115 1.00 0.00 C ATOM 1509 O PHE A 99 12.560 -10.220 -7.374 1.00 0.00 O ATOM 1510 CB PHE A 99 11.445 -12.845 -8.821 1.00 0.00 C ATOM 1511 CG PHE A 99 10.559 -11.680 -9.158 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.803 -10.907 -10.281 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.479 -11.362 -8.351 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.987 -9.836 -10.593 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.658 -10.293 -8.658 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.912 -9.530 -9.780 1.00 0.00 C ATOM 0 H PHE A 99 12.975 -14.512 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 99 13.419 -11.995 -9.004 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.611 -13.433 -9.723 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.925 -13.489 -8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.641 -11.144 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.276 -11.956 -7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.189 -9.239 -11.470 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.819 -10.055 -8.021 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.271 -8.695 -10.022 1.00 0.00 H new ATOM 1526 N ALA A 100 12.518 -11.901 -5.880 1.00 0.00 N ATOM 1527 CA ALA A 100 12.332 -11.025 -4.728 1.00 0.00 C ATOM 1528 C ALA A 100 13.421 -9.959 -4.648 1.00 0.00 C ATOM 1529 O ALA A 100 13.131 -8.769 -4.579 1.00 0.00 O ATOM 1530 CB ALA A 100 12.305 -11.846 -3.448 1.00 0.00 C ATOM 0 H ALA A 100 12.565 -12.894 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 100 11.377 -10.513 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.166 -11.184 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.483 -12.560 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.247 -12.384 -3.341 1.00 0.00 H new ATOM 1536 N ARG A 101 14.672 -10.395 -4.664 1.00 0.00 N ATOM 1537 CA ARG A 101 15.806 -9.479 -4.577 1.00 0.00 C ATOM 1538 C ARG A 101 15.763 -8.404 -5.658 1.00 0.00 C ATOM 1539 O ARG A 101 15.707 -7.211 -5.356 1.00 0.00 O ATOM 1540 CB ARG A 101 17.108 -10.253 -4.703 1.00 0.00 C ATOM 1541 CG ARG A 101 18.349 -9.384 -4.557 1.00 0.00 C ATOM 1542 CD ARG A 101 19.571 -10.208 -4.190 1.00 0.00 C ATOM 1543 NE ARG A 101 19.888 -11.202 -5.211 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.973 -11.970 -5.179 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.843 -11.853 -4.184 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.191 -12.855 -6.142 1.00 0.00 N ATOM 0 H ARG A 101 14.931 -11.379 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 101 15.747 -8.987 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.131 -11.035 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.134 -10.749 -5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.534 -8.854 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.176 -8.628 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.426 -9.546 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.397 -10.709 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 101 19.242 -11.314 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.680 -11.173 -3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.675 -12.443 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.526 -12.948 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.024 -13.443 -6.115 1.00 0.00 H new ATOM 1560 N LYS A 102 15.804 -8.837 -6.917 1.00 0.00 N ATOM 1561 CA LYS A 102 15.788 -7.916 -8.052 1.00 0.00 C ATOM 1562 C LYS A 102 14.725 -6.836 -7.880 1.00 0.00 C ATOM 1563 O LYS A 102 14.887 -5.713 -8.353 1.00 0.00 O ATOM 1564 CB LYS A 102 15.539 -8.687 -9.351 1.00 0.00 C ATOM 1565 CG LYS A 102 15.592 -7.814 -10.595 1.00 0.00 C ATOM 1566 CD LYS A 102 15.143 -8.573 -11.835 1.00 0.00 C ATOM 1567 CE LYS A 102 13.654 -8.878 -11.797 1.00 0.00 C ATOM 1568 NZ LYS A 102 12.833 -7.637 -11.721 1.00 0.00 N ATOM 0 H LYS A 102 15.849 -9.822 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 102 16.761 -7.428 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.281 -9.480 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.563 -9.169 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.956 -6.940 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.609 -7.449 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.372 -7.986 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.704 -9.504 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.377 -9.443 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.435 -9.511 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.847 -7.858 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.871 -7.254 -10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.207 -6.932 -12.388 1.00 0.00 H new ATOM 1582 N VAL A 103 13.646 -7.181 -7.196 1.00 0.00 N ATOM 1583 CA VAL A 103 12.553 -6.248 -6.961 1.00 0.00 C ATOM 1584 C VAL A 103 12.990 -5.074 -6.085 1.00 0.00 C ATOM 1585 O VAL A 103 12.903 -3.917 -6.494 1.00 0.00 O ATOM 1586 CB VAL A 103 11.362 -6.971 -6.304 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.454 -5.990 -5.571 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.575 -7.745 -7.348 1.00 0.00 C ATOM 0 H VAL A 103 13.502 -8.106 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 103 12.249 -5.853 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 103 11.757 -7.672 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.623 -6.532 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.022 -5.480 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.067 -5.256 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.736 -8.251 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.200 -7.056 -8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.224 -8.484 -7.819 1.00 0.00 H new ATOM 1598 N ALA A 104 13.454 -5.386 -4.880 1.00 0.00 N ATOM 1599 CA ALA A 104 13.894 -4.369 -3.928 1.00 0.00 C ATOM 1600 C ALA A 104 14.896 -3.390 -4.537 1.00 0.00 C ATOM 1601 O ALA A 104 14.651 -2.186 -4.593 1.00 0.00 O ATOM 1602 CB ALA A 104 14.513 -5.043 -2.715 1.00 0.00 C ATOM 0 H ALA A 104 13.536 -6.343 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 104 13.015 -3.794 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.841 -4.284 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.774 -5.688 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.369 -5.641 -3.028 1.00 0.00 H new ATOM 1608 N VAL A 105 16.023 -3.923 -4.984 1.00 0.00 N ATOM 1609 CA VAL A 105 17.094 -3.115 -5.563 1.00 0.00 C ATOM 1610 C VAL A 105 16.635 -2.296 -6.769 1.00 0.00 C ATOM 1611 O VAL A 105 16.694 -1.067 -6.747 1.00 0.00 O ATOM 1612 CB VAL A 105 18.291 -3.999 -5.975 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.359 -3.172 -6.678 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.874 -4.704 -4.759 1.00 0.00 C ATOM 0 H VAL A 105 16.224 -4.923 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 105 17.399 -2.418 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 105 17.933 -4.754 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.192 -3.816 -6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 105 18.936 -2.716 -7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.715 -2.391 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.717 -5.323 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.213 -3.962 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.110 -5.333 -4.302 1.00 0.00 H new ATOM 1624 N ASN A 106 16.182 -2.975 -7.816 1.00 0.00 N ATOM 1625 CA ASN A 106 15.742 -2.295 -9.031 1.00 0.00 C ATOM 1626 C ASN A 106 14.659 -1.257 -8.744 1.00 0.00 C ATOM 1627 O ASN A 106 14.553 -0.259 -9.453 1.00 0.00 O ATOM 1628 CB ASN A 106 15.233 -3.311 -10.053 1.00 0.00 C ATOM 1629 CG ASN A 106 16.357 -4.143 -10.641 1.00 0.00 C ATOM 1630 OD1 ASN A 106 16.799 -5.124 -10.041 1.00 0.00 O ATOM 1631 ND2 ASN A 106 16.823 -3.759 -11.824 1.00 0.00 N ATOM 0 H ASN A 106 16.109 -3.992 -7.850 1.00 0.00 H new ATOM 0 HA ASN A 106 16.605 -1.770 -9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.506 -3.969 -9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.712 -2.788 -10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.576 -4.283 -12.270 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.428 -2.940 -12.286 1.00 0.00 H new ATOM 1638 N TYR A 107 13.858 -1.492 -7.709 1.00 0.00 N ATOM 1639 CA TYR A 107 12.792 -0.568 -7.350 1.00 0.00 C ATOM 1640 C TYR A 107 13.365 0.803 -7.014 1.00 0.00 C ATOM 1641 O TYR A 107 12.740 1.834 -7.267 1.00 0.00 O ATOM 1642 CB TYR A 107 11.993 -1.116 -6.165 1.00 0.00 C ATOM 1643 CG TYR A 107 11.330 -0.042 -5.335 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.285 0.718 -5.843 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.766 0.220 -4.048 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.694 1.709 -5.084 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.183 1.209 -3.284 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.146 1.950 -3.806 1.00 0.00 C ATOM 1649 OH TYR A 107 9.563 2.940 -3.051 1.00 0.00 O ATOM 0 H TYR A 107 13.928 -2.312 -7.107 1.00 0.00 H new ATOM 0 HA TYR A 107 12.123 -0.462 -8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.230 -1.799 -6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.658 -1.698 -5.527 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.929 0.532 -6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.577 -0.361 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.881 2.292 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.538 1.401 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 107 10.260 3.518 -2.675 1.00 0.00 H new ATOM 1659 N LEU A 108 14.563 0.798 -6.443 1.00 0.00 N ATOM 1660 CA LEU A 108 15.238 2.027 -6.051 1.00 0.00 C ATOM 1661 C LEU A 108 15.376 2.997 -7.220 1.00 0.00 C ATOM 1662 O LEU A 108 15.697 4.169 -7.029 1.00 0.00 O ATOM 1663 CB LEU A 108 16.619 1.702 -5.481 1.00 0.00 C ATOM 1664 CG LEU A 108 16.616 0.976 -4.134 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.041 0.699 -3.678 1.00 0.00 C ATOM 1666 CD2 LEU A 108 15.869 1.789 -3.085 1.00 0.00 C ATOM 0 H LEU A 108 15.090 -0.051 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 108 14.628 2.511 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.157 1.089 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.177 2.632 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 108 16.100 0.024 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.022 0.182 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.544 0.075 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.579 1.641 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.879 1.254 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.354 2.757 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.838 1.938 -3.406 1.00 0.00 H new ATOM 1678 N GLU A 109 15.138 2.507 -8.430 1.00 0.00 N ATOM 1679 CA GLU A 109 15.242 3.350 -9.617 1.00 0.00 C ATOM 1680 C GLU A 109 14.010 4.239 -9.784 1.00 0.00 C ATOM 1681 O GLU A 109 13.885 4.945 -10.784 1.00 0.00 O ATOM 1682 CB GLU A 109 15.434 2.491 -10.871 1.00 0.00 C ATOM 1683 CG GLU A 109 14.148 1.875 -11.399 1.00 0.00 C ATOM 1684 CD GLU A 109 14.394 0.897 -12.529 1.00 0.00 C ATOM 1685 OE1 GLU A 109 14.577 1.350 -13.679 1.00 0.00 O ATOM 1686 OE2 GLU A 109 14.405 -0.324 -12.265 1.00 0.00 O ATOM 0 H GLU A 109 14.874 1.540 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 109 16.112 3.994 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.880 3.104 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.143 1.693 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.634 1.363 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.485 2.668 -11.747 1.00 0.00 H new ATOM 1693 N THR A 110 13.100 4.207 -8.808 1.00 0.00 N ATOM 1694 CA THR A 110 11.884 5.016 -8.890 1.00 0.00 C ATOM 1695 C THR A 110 11.431 5.537 -7.525 1.00 0.00 C ATOM 1696 O THR A 110 10.359 6.134 -7.416 1.00 0.00 O ATOM 1697 CB THR A 110 10.722 4.223 -9.521 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.472 3.033 -8.762 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.032 3.851 -10.966 1.00 0.00 C ATOM 0 H THR A 110 13.180 3.639 -7.965 1.00 0.00 H new ATOM 0 HA THR A 110 12.140 5.867 -9.521 1.00 0.00 H new ATOM 0 HB THR A 110 9.836 4.857 -9.510 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.261 2.817 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.195 3.293 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.192 4.758 -11.549 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.931 3.236 -10.998 1.00 0.00 H new ATOM 1707 N HIS A 111 12.241 5.330 -6.486 1.00 0.00 N ATOM 1708 CA HIS A 111 11.876 5.799 -5.149 1.00 0.00 C ATOM 1709 C HIS A 111 12.330 7.241 -4.937 1.00 0.00 C ATOM 1710 O HIS A 111 11.549 8.023 -4.356 1.00 0.00 O ATOM 1711 CB HIS A 111 12.473 4.895 -4.062 1.00 0.00 C ATOM 1712 CG HIS A 111 13.898 5.208 -3.717 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.968 4.772 -4.466 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.425 5.925 -2.694 1.00 0.00 C ATOM 1715 CE1 HIS A 111 16.093 5.204 -3.922 1.00 0.00 C ATOM 1716 NE2 HIS A 111 15.790 5.907 -2.847 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.455 7.578 -5.363 1.00 0.00 O ATOM 0 H HIS A 111 13.139 4.849 -6.541 1.00 0.00 H new ATOM 0 HA HIS A 111 10.790 5.758 -5.072 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.866 4.980 -3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.410 3.858 -4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.875 6.418 -1.906 1.00 0.00 H new ATOM 0 HE1 HIS A 111 17.089 5.014 -4.294 1.00 0.00 H new ATOM 0 HE2 HIS A 111 16.461 6.363 -2.229 1.00 0.00 H new TER 1726 HIS A 111