USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 37 HIS : no HD1:sc= -2.01 K(o=-1.3,f=-2.4) USER MOD Set 1.2: A 49 TYR OH : rot -55:sc= 0.739 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.0119 (180deg=-0.339) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0535 (180deg=-0.224) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 148:sc= 0.465 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 23:sc= 1.21 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.91) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= -0.0821 (180deg=-0.824) USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.839) USER MOD Single : A 63 SER OG : rot 180:sc= 0.043 USER MOD Single : A 64 TYR OH : rot 165:sc=-0.00165 USER MOD Single : A 66 HIS : no HD1:sc= -0.399 X(o=-0.4,f=0.054) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.079 6.267 11.026 1.00 0.00 N ATOM 2 CA MET A 1 -10.412 6.345 10.371 1.00 0.00 C ATOM 3 C MET A 1 -11.109 7.663 10.694 1.00 0.00 C ATOM 4 O MET A 1 -12.337 7.729 10.755 1.00 0.00 O ATOM 5 CB MET A 1 -11.261 5.168 10.853 1.00 0.00 C ATOM 6 CG MET A 1 -11.091 3.913 10.011 1.00 0.00 C ATOM 7 SD MET A 1 -9.944 2.732 10.747 1.00 0.00 S ATOM 8 CE MET A 1 -8.565 2.848 9.610 1.00 0.00 C ATOM 0 H1 MET A 1 -8.717 5.294 10.961 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.419 6.914 10.549 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.167 6.538 12.026 1.00 0.00 H new ATOM 0 HA MET A 1 -10.283 6.298 9.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.000 4.941 11.887 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.311 5.461 10.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.062 3.436 9.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.733 4.191 9.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.647 2.557 10.120 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.735 2.184 8.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.472 3.874 9.254 1.00 0.00 H new ATOM 20 N THR A 2 -10.318 8.712 10.900 1.00 0.00 N ATOM 21 CA THR A 2 -10.860 10.028 11.216 1.00 0.00 C ATOM 22 C THR A 2 -11.205 10.793 9.942 1.00 0.00 C ATOM 23 O THR A 2 -12.182 11.539 9.899 1.00 0.00 O ATOM 24 CB THR A 2 -9.858 10.829 12.050 1.00 0.00 C ATOM 25 OG1 THR A 2 -8.602 10.891 11.399 1.00 0.00 O ATOM 26 CG2 THR A 2 -9.634 10.251 13.431 1.00 0.00 C ATOM 0 H THR A 2 -9.300 8.675 10.854 1.00 0.00 H new ATOM 0 HA THR A 2 -11.773 9.888 11.794 1.00 0.00 H new ATOM 0 HB THR A 2 -10.296 11.821 12.157 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.975 11.408 11.946 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.913 10.866 13.970 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.578 10.236 13.976 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.250 9.235 13.342 1.00 0.00 H new ATOM 34 N ARG A 3 -10.395 10.599 8.906 1.00 0.00 N ATOM 35 CA ARG A 3 -10.613 11.270 7.629 1.00 0.00 C ATOM 36 C ARG A 3 -10.416 10.303 6.464 1.00 0.00 C ATOM 37 O ARG A 3 -11.214 10.274 5.528 1.00 0.00 O ATOM 38 CB ARG A 3 -9.666 12.464 7.485 1.00 0.00 C ATOM 39 CG ARG A 3 -8.249 12.185 7.960 1.00 0.00 C ATOM 40 CD ARG A 3 -7.239 12.338 6.834 1.00 0.00 C ATOM 41 NE ARG A 3 -5.866 12.385 7.333 1.00 0.00 N ATOM 42 CZ ARG A 3 -4.790 12.277 6.556 1.00 0.00 C ATOM 43 NH1 ARG A 3 -4.923 12.116 5.245 1.00 0.00 N ATOM 44 NH2 ARG A 3 -3.578 12.331 7.091 1.00 0.00 N ATOM 0 H ARG A 3 -9.582 9.983 8.926 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.642 11.629 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.635 12.767 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.069 13.305 8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.996 12.868 8.771 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.193 11.174 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.343 11.506 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.453 13.249 6.276 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.724 12.508 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.853 12.074 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.095 12.034 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.470 12.455 8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.754 12.248 6.496 1.00 0.00 H new ATOM 58 N TRP A 4 -9.350 9.512 6.531 1.00 0.00 N ATOM 59 CA TRP A 4 -9.049 8.544 5.482 1.00 0.00 C ATOM 60 C TRP A 4 -10.086 7.424 5.463 1.00 0.00 C ATOM 61 O TRP A 4 -10.813 7.220 6.435 1.00 0.00 O ATOM 62 CB TRP A 4 -7.647 7.963 5.685 1.00 0.00 C ATOM 63 CG TRP A 4 -6.722 8.211 4.532 1.00 0.00 C ATOM 64 CD1 TRP A 4 -6.797 9.220 3.620 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.582 7.432 4.171 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.771 9.117 2.712 1.00 0.00 N ATOM 67 CE2 TRP A 4 -5.010 8.022 3.030 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.992 6.291 4.706 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.871 7.505 2.415 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.863 5.776 4.098 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.312 6.384 2.962 1.00 0.00 C ATOM 0 H TRP A 4 -8.680 9.522 7.300 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.083 9.058 4.522 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.212 8.392 6.588 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.728 6.889 5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.554 9.990 3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.603 9.751 1.930 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.409 5.816 5.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.446 7.973 1.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.398 4.890 4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.428 5.958 2.510 1.00 0.00 H new ATOM 82 N VAL A 5 -10.147 6.701 4.348 1.00 0.00 N ATOM 83 CA VAL A 5 -11.093 5.601 4.196 1.00 0.00 C ATOM 84 C VAL A 5 -10.500 4.291 4.717 1.00 0.00 C ATOM 85 O VAL A 5 -9.322 4.009 4.501 1.00 0.00 O ATOM 86 CB VAL A 5 -11.502 5.419 2.722 1.00 0.00 C ATOM 87 CG1 VAL A 5 -12.632 4.409 2.594 1.00 0.00 C ATOM 88 CG2 VAL A 5 -11.901 6.754 2.111 1.00 0.00 C ATOM 0 H VAL A 5 -9.551 6.858 3.535 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.976 5.854 4.783 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.642 5.034 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.903 4.298 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.306 3.447 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.497 4.758 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.187 6.607 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.744 7.170 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.058 7.444 2.162 1.00 0.00 H new ATOM 98 N PRO A 6 -11.309 3.471 5.417 1.00 0.00 N ATOM 99 CA PRO A 6 -10.855 2.194 5.970 1.00 0.00 C ATOM 100 C PRO A 6 -10.901 1.051 4.953 1.00 0.00 C ATOM 101 O PRO A 6 -10.970 -0.119 5.331 1.00 0.00 O ATOM 102 CB PRO A 6 -11.852 1.946 7.096 1.00 0.00 C ATOM 103 CG PRO A 6 -13.121 2.563 6.612 1.00 0.00 C ATOM 104 CD PRO A 6 -12.729 3.726 5.735 1.00 0.00 C ATOM 0 HA PRO A 6 -9.813 2.233 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.977 0.880 7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.519 2.402 8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.715 1.840 6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.733 2.898 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.339 3.769 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.858 4.677 6.252 1.00 0.00 H new ATOM 112 N THR A 7 -10.858 1.396 3.666 1.00 0.00 N ATOM 113 CA THR A 7 -10.891 0.405 2.588 1.00 0.00 C ATOM 114 C THR A 7 -11.929 -0.683 2.850 1.00 0.00 C ATOM 115 O THR A 7 -11.653 -1.668 3.532 1.00 0.00 O ATOM 116 CB THR A 7 -9.508 -0.227 2.396 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.583 -1.334 1.515 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.877 -0.711 3.685 1.00 0.00 C ATOM 0 H THR A 7 -10.800 2.361 3.342 1.00 0.00 H new ATOM 0 HA THR A 7 -11.177 0.928 1.675 1.00 0.00 H new ATOM 0 HB THR A 7 -8.886 0.569 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.747 -1.407 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.901 -1.146 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.758 0.129 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.518 -1.465 4.143 1.00 0.00 H new ATOM 126 N LYS A 8 -13.123 -0.501 2.294 1.00 0.00 N ATOM 127 CA LYS A 8 -14.199 -1.470 2.461 1.00 0.00 C ATOM 128 C LYS A 8 -14.554 -2.119 1.127 1.00 0.00 C ATOM 129 O LYS A 8 -15.503 -1.709 0.457 1.00 0.00 O ATOM 130 CB LYS A 8 -15.435 -0.795 3.058 1.00 0.00 C ATOM 131 CG LYS A 8 -15.382 -0.651 4.569 1.00 0.00 C ATOM 132 CD LYS A 8 -16.001 0.659 5.028 1.00 0.00 C ATOM 133 CE LYS A 8 -17.489 0.709 4.721 1.00 0.00 C ATOM 134 NZ LYS A 8 -18.064 2.061 4.970 1.00 0.00 N ATOM 0 H LYS A 8 -13.369 0.309 1.724 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.854 -2.246 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.550 0.193 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.319 -1.372 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.908 -1.485 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.346 -0.702 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.845 0.781 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.499 1.492 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.654 0.431 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.011 -0.026 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.080 2.052 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.930 2.317 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.584 2.759 4.366 1.00 0.00 H new ATOM 148 N ARG A 9 -13.784 -3.136 0.746 1.00 0.00 N ATOM 149 CA ARG A 9 -14.011 -3.848 -0.509 1.00 0.00 C ATOM 150 C ARG A 9 -12.917 -4.884 -0.747 1.00 0.00 C ATOM 151 O ARG A 9 -13.179 -5.974 -1.255 1.00 0.00 O ATOM 152 CB ARG A 9 -14.062 -2.865 -1.685 1.00 0.00 C ATOM 153 CG ARG A 9 -15.240 -3.093 -2.617 1.00 0.00 C ATOM 154 CD ARG A 9 -15.177 -2.174 -3.828 1.00 0.00 C ATOM 155 NE ARG A 9 -16.408 -2.218 -4.614 1.00 0.00 N ATOM 156 CZ ARG A 9 -16.509 -1.764 -5.860 1.00 0.00 C ATOM 157 NH1 ARG A 9 -15.455 -1.231 -6.469 1.00 0.00 N ATOM 158 NH2 ARG A 9 -17.667 -1.841 -6.502 1.00 0.00 N ATOM 0 H ARG A 9 -12.996 -3.486 1.290 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.970 -4.361 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.109 -1.848 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.137 -2.946 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.249 -4.132 -2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.171 -2.922 -2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.994 -1.151 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.335 -2.461 -4.457 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.239 -2.621 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.562 -1.168 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.539 -0.885 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.480 -2.248 -6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.744 -1.493 -7.458 1.00 0.00 H new ATOM 172 N GLU A 10 -11.688 -4.534 -0.378 1.00 0.00 N ATOM 173 CA GLU A 10 -10.549 -5.429 -0.551 1.00 0.00 C ATOM 174 C GLU A 10 -10.799 -6.773 0.128 1.00 0.00 C ATOM 175 O GLU A 10 -11.656 -6.888 1.004 1.00 0.00 O ATOM 176 CB GLU A 10 -9.281 -4.788 0.016 1.00 0.00 C ATOM 177 CG GLU A 10 -8.546 -3.906 -0.982 1.00 0.00 C ATOM 178 CD GLU A 10 -9.115 -2.503 -1.050 1.00 0.00 C ATOM 179 OE1 GLU A 10 -10.275 -2.351 -1.484 1.00 0.00 O ATOM 180 OE2 GLU A 10 -8.398 -1.553 -0.668 1.00 0.00 O ATOM 0 H GLU A 10 -11.456 -3.635 0.044 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.417 -5.603 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.545 -4.192 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.608 -5.574 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.492 -3.854 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.596 -4.363 -1.970 1.00 0.00 H new ATOM 187 N GLU A 11 -10.043 -7.786 -0.282 1.00 0.00 N ATOM 188 CA GLU A 11 -10.178 -9.122 0.286 1.00 0.00 C ATOM 189 C GLU A 11 -9.184 -9.334 1.423 1.00 0.00 C ATOM 190 O GLU A 11 -9.567 -9.684 2.540 1.00 0.00 O ATOM 191 CB GLU A 11 -9.969 -10.183 -0.796 1.00 0.00 C ATOM 192 CG GLU A 11 -10.271 -11.599 -0.328 1.00 0.00 C ATOM 193 CD GLU A 11 -9.923 -12.644 -1.369 1.00 0.00 C ATOM 194 OE1 GLU A 11 -10.604 -12.688 -2.416 1.00 0.00 O ATOM 195 OE2 GLU A 11 -8.972 -13.417 -1.138 1.00 0.00 O ATOM 0 H GLU A 11 -9.330 -7.707 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.187 -9.218 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.604 -9.949 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.937 -10.137 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.713 -11.802 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.329 -11.678 -0.079 1.00 0.00 H new ATOM 202 N LYS A 12 -7.905 -9.119 1.130 1.00 0.00 N ATOM 203 CA LYS A 12 -6.855 -9.286 2.129 1.00 0.00 C ATOM 204 C LYS A 12 -5.614 -8.481 1.753 1.00 0.00 C ATOM 205 O LYS A 12 -5.250 -7.527 2.440 1.00 0.00 O ATOM 206 CB LYS A 12 -6.490 -10.765 2.276 1.00 0.00 C ATOM 207 CG LYS A 12 -5.880 -11.110 3.624 1.00 0.00 C ATOM 208 CD LYS A 12 -6.243 -12.522 4.057 1.00 0.00 C ATOM 209 CE LYS A 12 -5.093 -13.488 3.825 1.00 0.00 C ATOM 210 NZ LYS A 12 -5.497 -14.900 4.071 1.00 0.00 N ATOM 0 H LYS A 12 -7.571 -8.829 0.211 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.234 -8.916 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.386 -11.368 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.787 -11.037 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.796 -11.013 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.226 -10.398 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.512 -12.522 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.120 -12.859 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.734 -13.386 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.262 -13.228 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.685 -15.528 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.816 -15.003 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.273 -15.156 3.427 1.00 0.00 H new ATOM 224 N TYR A 13 -4.971 -8.870 0.657 1.00 0.00 N ATOM 225 CA TYR A 13 -3.773 -8.183 0.189 1.00 0.00 C ATOM 226 C TYR A 13 -3.568 -8.402 -1.306 1.00 0.00 C ATOM 227 O TYR A 13 -4.227 -9.243 -1.916 1.00 0.00 O ATOM 228 CB TYR A 13 -2.545 -8.672 0.961 1.00 0.00 C ATOM 229 CG TYR A 13 -2.476 -10.177 1.100 1.00 0.00 C ATOM 230 CD1 TYR A 13 -2.340 -10.989 -0.019 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.547 -10.782 2.347 1.00 0.00 C ATOM 232 CE1 TYR A 13 -2.276 -12.365 0.104 1.00 0.00 C ATOM 233 CE2 TYR A 13 -2.483 -12.157 2.478 1.00 0.00 C ATOM 234 CZ TYR A 13 -2.347 -12.943 1.354 1.00 0.00 C ATOM 235 OH TYR A 13 -2.284 -14.312 1.480 1.00 0.00 O ATOM 0 H TYR A 13 -5.260 -9.657 0.076 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.905 -7.116 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.645 -8.321 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.549 -8.224 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.283 -10.539 -0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.654 -10.169 3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.171 -12.984 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.539 -12.613 3.456 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.844 -14.693 0.691 1.00 0.00 H new ATOM 245 N GLY A 14 -2.649 -7.640 -1.890 1.00 0.00 N ATOM 246 CA GLY A 14 -2.373 -7.765 -3.308 1.00 0.00 C ATOM 247 C GLY A 14 -0.887 -7.774 -3.612 1.00 0.00 C ATOM 248 O GLY A 14 -0.074 -8.115 -2.752 1.00 0.00 O ATOM 0 H GLY A 14 -2.090 -6.938 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.823 -8.684 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.845 -6.939 -3.841 1.00 0.00 H new ATOM 252 N VAL A 15 -0.532 -7.399 -4.835 1.00 0.00 N ATOM 253 CA VAL A 15 0.866 -7.365 -5.249 1.00 0.00 C ATOM 254 C VAL A 15 1.243 -5.993 -5.799 1.00 0.00 C ATOM 255 O VAL A 15 0.424 -5.313 -6.416 1.00 0.00 O ATOM 256 CB VAL A 15 1.161 -8.432 -6.321 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.649 -8.485 -6.630 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.656 -9.796 -5.872 1.00 0.00 C ATOM 0 H VAL A 15 -1.193 -7.114 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 15 1.463 -7.576 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 15 0.633 -8.156 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.836 -9.245 -7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.979 -7.514 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.200 -8.735 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.873 -10.536 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.153 -10.081 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.420 -9.749 -5.707 1.00 0.00 H new ATOM 268 N ALA A 16 2.490 -5.593 -5.568 1.00 0.00 N ATOM 269 CA ALA A 16 2.978 -4.302 -6.041 1.00 0.00 C ATOM 270 C ALA A 16 4.164 -4.479 -6.981 1.00 0.00 C ATOM 271 O ALA A 16 5.268 -4.803 -6.543 1.00 0.00 O ATOM 272 CB ALA A 16 3.368 -3.424 -4.861 1.00 0.00 C ATOM 0 H ALA A 16 3.180 -6.144 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 16 2.175 -3.816 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.731 -2.463 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.499 -3.265 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.154 -3.914 -4.287 1.00 0.00 H new ATOM 278 N PHE A 17 3.937 -4.264 -8.273 1.00 0.00 N ATOM 279 CA PHE A 17 5.004 -4.401 -9.256 1.00 0.00 C ATOM 280 C PHE A 17 5.545 -3.036 -9.665 1.00 0.00 C ATOM 281 O PHE A 17 5.037 -2.406 -10.592 1.00 0.00 O ATOM 282 CB PHE A 17 4.499 -5.154 -10.489 1.00 0.00 C ATOM 283 CG PHE A 17 3.148 -4.699 -10.962 1.00 0.00 C ATOM 284 CD1 PHE A 17 1.991 -5.257 -10.442 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.034 -3.712 -11.929 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.747 -4.839 -10.876 1.00 0.00 C ATOM 287 CE2 PHE A 17 1.793 -3.292 -12.367 1.00 0.00 C ATOM 288 CZ PHE A 17 0.648 -3.855 -11.841 1.00 0.00 C ATOM 0 H PHE A 17 3.032 -3.997 -8.660 1.00 0.00 H new ATOM 0 HA PHE A 17 5.813 -4.970 -8.799 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.218 -5.031 -11.299 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.455 -6.219 -10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.062 -6.028 -9.689 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.926 -3.266 -12.345 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.147 -5.281 -10.461 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.719 -2.523 -13.121 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.323 -3.527 -12.183 1.00 0.00 H new ATOM 298 N TYR A 18 6.586 -2.589 -8.969 1.00 0.00 N ATOM 299 CA TYR A 18 7.206 -1.304 -9.260 1.00 0.00 C ATOM 300 C TYR A 18 8.609 -1.226 -8.666 1.00 0.00 C ATOM 301 O TYR A 18 9.047 -2.134 -7.961 1.00 0.00 O ATOM 302 CB TYR A 18 6.344 -0.161 -8.720 1.00 0.00 C ATOM 303 CG TYR A 18 6.162 0.975 -9.702 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.208 0.902 -10.709 1.00 0.00 C ATOM 305 CD2 TYR A 18 6.944 2.120 -9.621 1.00 0.00 C ATOM 306 CE1 TYR A 18 5.038 1.937 -11.608 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.780 3.160 -10.518 1.00 0.00 C ATOM 308 CZ TYR A 18 5.827 3.062 -11.508 1.00 0.00 C ATOM 309 OH TYR A 18 5.660 4.096 -12.402 1.00 0.00 O ATOM 0 H TYR A 18 7.017 -3.100 -8.199 1.00 0.00 H new ATOM 0 HA TYR A 18 7.286 -1.207 -10.343 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.365 -0.554 -8.446 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.799 0.227 -7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.589 0.021 -10.790 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.692 2.199 -8.846 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.291 1.865 -12.385 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.396 4.044 -10.443 1.00 0.00 H new ATOM 0 HH TYR A 18 6.293 4.814 -12.193 1.00 0.00 H new ATOM 319 N ASN A 19 9.302 -0.127 -8.943 1.00 0.00 N ATOM 320 CA ASN A 19 10.648 0.082 -8.425 1.00 0.00 C ATOM 321 C ASN A 19 10.695 1.342 -7.563 1.00 0.00 C ATOM 322 O ASN A 19 11.426 2.286 -7.862 1.00 0.00 O ATOM 323 CB ASN A 19 11.651 0.195 -9.575 1.00 0.00 C ATOM 324 CG ASN A 19 11.742 -1.079 -10.394 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.040 -2.149 -9.865 1.00 0.00 O ATOM 326 ND2 ASN A 19 11.483 -0.969 -11.691 1.00 0.00 N ATOM 0 H ASN A 19 8.952 0.634 -9.525 1.00 0.00 H new ATOM 0 HA ASN A 19 10.918 -0.776 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.362 1.021 -10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.635 0.435 -9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.527 -1.792 -12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.240 -0.061 -12.087 1.00 0.00 H new ATOM 333 N TYR A 20 9.901 1.352 -6.497 1.00 0.00 N ATOM 334 CA TYR A 20 9.841 2.499 -5.596 1.00 0.00 C ATOM 335 C TYR A 20 10.655 2.250 -4.329 1.00 0.00 C ATOM 336 O TYR A 20 10.715 1.128 -3.827 1.00 0.00 O ATOM 337 CB TYR A 20 8.387 2.806 -5.229 1.00 0.00 C ATOM 338 CG TYR A 20 8.226 3.994 -4.307 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.937 5.166 -4.521 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.360 3.940 -3.221 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.791 6.253 -3.679 1.00 0.00 C ATOM 342 CE2 TYR A 20 7.208 5.023 -2.375 1.00 0.00 C ATOM 343 CZ TYR A 20 7.926 6.176 -2.609 1.00 0.00 C ATOM 344 OH TYR A 20 7.779 7.256 -1.769 1.00 0.00 O ATOM 0 H TYR A 20 9.290 0.579 -6.235 1.00 0.00 H new ATOM 0 HA TYR A 20 10.271 3.356 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.823 2.989 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.949 1.928 -4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.615 5.230 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.797 3.037 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.352 7.158 -3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.531 4.966 -1.536 1.00 0.00 H new ATOM 0 HH TYR A 20 6.976 7.137 -1.221 1.00 0.00 H new ATOM 354 N ASP A 21 11.275 3.309 -3.818 1.00 0.00 N ATOM 355 CA ASP A 21 12.083 3.216 -2.608 1.00 0.00 C ATOM 356 C ASP A 21 11.548 4.150 -1.527 1.00 0.00 C ATOM 357 O ASP A 21 10.904 5.155 -1.826 1.00 0.00 O ATOM 358 CB ASP A 21 13.541 3.558 -2.917 1.00 0.00 C ATOM 359 CG ASP A 21 14.516 2.722 -2.110 1.00 0.00 C ATOM 360 OD1 ASP A 21 14.799 1.577 -2.523 1.00 0.00 O ATOM 361 OD2 ASP A 21 14.992 3.211 -1.064 1.00 0.00 O ATOM 0 H ASP A 21 11.233 4.244 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 21 12.028 2.192 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.729 3.406 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.715 4.614 -2.711 1.00 0.00 H new ATOM 366 N ALA A 22 11.816 3.810 -0.271 1.00 0.00 N ATOM 367 CA ALA A 22 11.358 4.619 0.854 1.00 0.00 C ATOM 368 C ALA A 22 12.457 5.560 1.339 1.00 0.00 C ATOM 369 O ALA A 22 13.621 5.417 0.965 1.00 0.00 O ATOM 370 CB ALA A 22 10.886 3.723 1.990 1.00 0.00 C ATOM 0 H ALA A 22 12.347 2.981 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 22 10.520 5.228 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.547 4.339 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.063 3.098 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.709 3.089 2.319 1.00 0.00 H new ATOM 376 N ARG A 23 12.078 6.521 2.175 1.00 0.00 N ATOM 377 CA ARG A 23 13.030 7.486 2.716 1.00 0.00 C ATOM 378 C ARG A 23 12.839 7.653 4.220 1.00 0.00 C ATOM 379 O ARG A 23 13.098 8.723 4.774 1.00 0.00 O ATOM 380 CB ARG A 23 12.869 8.838 2.017 1.00 0.00 C ATOM 381 CG ARG A 23 14.088 9.736 2.145 1.00 0.00 C ATOM 382 CD ARG A 23 15.288 9.153 1.416 1.00 0.00 C ATOM 383 NE ARG A 23 15.008 8.919 0.002 1.00 0.00 N ATOM 384 CZ ARG A 23 15.726 8.107 -0.772 1.00 0.00 C ATOM 385 NH1 ARG A 23 16.766 7.451 -0.273 1.00 0.00 N ATOM 386 NH2 ARG A 23 15.400 7.949 -2.048 1.00 0.00 N ATOM 0 H ARG A 23 11.118 6.653 2.493 1.00 0.00 H new ATOM 0 HA ARG A 23 14.036 7.108 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.661 8.669 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.003 9.353 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.859 10.722 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.332 9.872 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.135 9.833 1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.578 8.215 1.888 1.00 0.00 H new ATOM 0 HE ARG A 23 14.216 9.406 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.019 7.567 0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.312 6.831 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.600 8.449 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.949 7.327 -2.642 1.00 0.00 H new ATOM 400 N GLY A 24 12.382 6.592 4.876 1.00 0.00 N ATOM 401 CA GLY A 24 12.165 6.642 6.310 1.00 0.00 C ATOM 402 C GLY A 24 10.976 5.807 6.743 1.00 0.00 C ATOM 403 O GLY A 24 10.416 5.054 5.947 1.00 0.00 O ATOM 0 H GLY A 24 12.158 5.698 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.060 6.289 6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.010 7.677 6.616 1.00 0.00 H new ATOM 407 N ALA A 25 10.592 5.938 8.009 1.00 0.00 N ATOM 408 CA ALA A 25 9.462 5.189 8.544 1.00 0.00 C ATOM 409 C ALA A 25 8.145 5.688 7.961 1.00 0.00 C ATOM 410 O ALA A 25 7.195 4.922 7.802 1.00 0.00 O ATOM 411 CB ALA A 25 9.438 5.284 10.063 1.00 0.00 C ATOM 0 H ALA A 25 11.046 6.555 8.682 1.00 0.00 H new ATOM 0 HA ALA A 25 9.583 4.144 8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.589 4.720 10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.362 4.872 10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.346 6.328 10.361 1.00 0.00 H new ATOM 417 N ASP A 26 8.095 6.978 7.642 1.00 0.00 N ATOM 418 CA ASP A 26 6.894 7.579 7.074 1.00 0.00 C ATOM 419 C ASP A 26 6.509 6.893 5.768 1.00 0.00 C ATOM 420 O ASP A 26 5.330 6.796 5.429 1.00 0.00 O ATOM 421 CB ASP A 26 7.113 9.074 6.832 1.00 0.00 C ATOM 422 CG ASP A 26 5.853 9.887 7.056 1.00 0.00 C ATOM 423 OD1 ASP A 26 5.095 9.561 7.994 1.00 0.00 O ATOM 424 OD2 ASP A 26 5.625 10.849 6.293 1.00 0.00 O ATOM 0 H ASP A 26 8.872 7.627 7.767 1.00 0.00 H new ATOM 0 HA ASP A 26 6.080 7.448 7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.898 9.435 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.464 9.226 5.811 1.00 0.00 H new ATOM 429 N GLU A 27 7.513 6.417 5.038 1.00 0.00 N ATOM 430 CA GLU A 27 7.282 5.739 3.768 1.00 0.00 C ATOM 431 C GLU A 27 7.842 4.321 3.800 1.00 0.00 C ATOM 432 O GLU A 27 8.547 3.941 4.735 1.00 0.00 O ATOM 433 CB GLU A 27 7.919 6.527 2.623 1.00 0.00 C ATOM 434 CG GLU A 27 6.974 7.522 1.967 1.00 0.00 C ATOM 435 CD GLU A 27 7.615 8.879 1.750 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.862 8.950 1.728 1.00 0.00 O ATOM 437 OE2 GLU A 27 6.870 9.871 1.603 1.00 0.00 O ATOM 0 H GLU A 27 8.495 6.489 5.305 1.00 0.00 H new ATOM 0 HA GLU A 27 6.206 5.681 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.790 7.062 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.278 5.828 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.641 7.124 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.086 7.639 2.589 1.00 0.00 H new ATOM 444 N LEU A 28 7.523 3.542 2.772 1.00 0.00 N ATOM 445 CA LEU A 28 7.996 2.167 2.680 1.00 0.00 C ATOM 446 C LEU A 28 8.397 1.826 1.247 1.00 0.00 C ATOM 447 O LEU A 28 7.678 2.141 0.299 1.00 0.00 O ATOM 448 CB LEU A 28 6.914 1.201 3.167 1.00 0.00 C ATOM 449 CG LEU A 28 7.280 -0.281 3.090 1.00 0.00 C ATOM 450 CD1 LEU A 28 6.698 -1.037 4.275 1.00 0.00 C ATOM 451 CD2 LEU A 28 6.793 -0.883 1.781 1.00 0.00 C ATOM 0 H LEU A 28 6.939 3.840 1.991 1.00 0.00 H new ATOM 0 HA LEU A 28 8.875 2.065 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.671 1.445 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.011 1.366 2.579 1.00 0.00 H new ATOM 0 HG LEU A 28 8.366 -0.370 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.969 -2.090 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.095 -0.623 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.612 -0.940 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.062 -1.939 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.710 -0.782 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.258 -0.360 0.945 1.00 0.00 H new ATOM 463 N SER A 29 9.553 1.190 1.100 1.00 0.00 N ATOM 464 CA SER A 29 10.057 0.811 -0.216 1.00 0.00 C ATOM 465 C SER A 29 9.278 -0.370 -0.785 1.00 0.00 C ATOM 466 O SER A 29 8.943 -1.311 -0.066 1.00 0.00 O ATOM 467 CB SER A 29 11.544 0.464 -0.134 1.00 0.00 C ATOM 468 OG SER A 29 11.735 -0.866 0.319 1.00 0.00 O ATOM 0 H SER A 29 10.160 0.925 1.876 1.00 0.00 H new ATOM 0 HA SER A 29 9.924 1.662 -0.884 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.004 0.587 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.045 1.157 0.542 1.00 0.00 H new ATOM 0 HG SER A 29 12.694 -1.063 0.361 1.00 0.00 H new ATOM 474 N LEU A 30 8.999 -0.316 -2.083 1.00 0.00 N ATOM 475 CA LEU A 30 8.263 -1.384 -2.752 1.00 0.00 C ATOM 476 C LEU A 30 8.995 -1.834 -4.013 1.00 0.00 C ATOM 477 O LEU A 30 9.500 -1.011 -4.779 1.00 0.00 O ATOM 478 CB LEU A 30 6.846 -0.918 -3.101 1.00 0.00 C ATOM 479 CG LEU A 30 5.733 -1.569 -2.278 1.00 0.00 C ATOM 480 CD1 LEU A 30 4.403 -0.882 -2.539 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.638 -3.055 -2.592 1.00 0.00 C ATOM 0 H LEU A 30 9.271 0.455 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 30 8.195 -2.232 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.792 0.163 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.663 -1.119 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 30 5.975 -1.455 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.624 -1.359 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.477 0.170 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.153 -0.963 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.841 -3.502 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.420 -3.190 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.585 -3.539 -2.352 1.00 0.00 H new ATOM 493 N GLN A 31 9.048 -3.145 -4.222 1.00 0.00 N ATOM 494 CA GLN A 31 9.720 -3.707 -5.388 1.00 0.00 C ATOM 495 C GLN A 31 8.825 -4.712 -6.102 1.00 0.00 C ATOM 496 O GLN A 31 7.832 -5.181 -5.544 1.00 0.00 O ATOM 497 CB GLN A 31 11.029 -4.380 -4.971 1.00 0.00 C ATOM 498 CG GLN A 31 12.133 -3.399 -4.618 1.00 0.00 C ATOM 499 CD GLN A 31 13.195 -3.302 -5.697 1.00 0.00 C ATOM 500 OE1 GLN A 31 12.937 -3.588 -6.865 1.00 0.00 O ATOM 501 NE2 GLN A 31 14.397 -2.894 -5.308 1.00 0.00 N ATOM 0 H GLN A 31 8.634 -3.838 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 31 9.940 -2.891 -6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.839 -5.024 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.371 -5.023 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.698 -2.413 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.599 -3.704 -3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.566 -2.667 -4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.151 -2.807 -5.989 1.00 0.00 H new ATOM 510 N ILE A 32 9.179 -5.038 -7.340 1.00 0.00 N ATOM 511 CA ILE A 32 8.406 -5.988 -8.130 1.00 0.00 C ATOM 512 C ILE A 32 8.541 -7.403 -7.580 1.00 0.00 C ATOM 513 O ILE A 32 9.640 -7.855 -7.260 1.00 0.00 O ATOM 514 CB ILE A 32 8.840 -5.973 -9.610 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.788 -4.547 -10.160 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.955 -6.897 -10.436 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.785 -4.289 -11.267 1.00 0.00 C ATOM 0 H ILE A 32 9.996 -4.658 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 32 7.363 -5.679 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 32 9.866 -6.335 -9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.784 -4.347 -10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.972 -3.846 -9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.276 -6.873 -11.477 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.035 -7.915 -10.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.919 -6.565 -10.368 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.691 -3.258 -11.608 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.795 -4.457 -10.893 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.589 -4.966 -12.099 1.00 0.00 H new ATOM 529 N GLY A 33 7.411 -8.096 -7.470 1.00 0.00 N ATOM 530 CA GLY A 33 7.419 -9.452 -6.956 1.00 0.00 C ATOM 531 C GLY A 33 7.083 -9.523 -5.477 1.00 0.00 C ATOM 532 O GLY A 33 6.947 -10.611 -4.918 1.00 0.00 O ATOM 0 H GLY A 33 6.490 -7.741 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.702 -10.052 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.402 -9.893 -7.122 1.00 0.00 H new ATOM 536 N ASP A 34 6.951 -8.363 -4.837 1.00 0.00 N ATOM 537 CA ASP A 34 6.632 -8.307 -3.415 1.00 0.00 C ATOM 538 C ASP A 34 5.132 -8.141 -3.195 1.00 0.00 C ATOM 539 O ASP A 34 4.439 -7.529 -4.007 1.00 0.00 O ATOM 540 CB ASP A 34 7.384 -7.151 -2.750 1.00 0.00 C ATOM 541 CG ASP A 34 8.850 -7.465 -2.531 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.471 -8.061 -3.438 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.378 -7.115 -1.456 1.00 0.00 O ATOM 0 H ASP A 34 7.060 -7.451 -5.281 1.00 0.00 H new ATOM 0 HA ASP A 34 6.944 -9.248 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.295 -6.259 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.918 -6.921 -1.792 1.00 0.00 H new ATOM 548 N THR A 35 4.640 -8.685 -2.087 1.00 0.00 N ATOM 549 CA THR A 35 3.224 -8.592 -1.753 1.00 0.00 C ATOM 550 C THR A 35 2.998 -7.537 -0.674 1.00 0.00 C ATOM 551 O THR A 35 3.845 -7.336 0.195 1.00 0.00 O ATOM 552 CB THR A 35 2.698 -9.947 -1.277 1.00 0.00 C ATOM 553 OG1 THR A 35 3.143 -10.986 -2.131 1.00 0.00 O ATOM 554 CG2 THR A 35 1.187 -10.016 -1.220 1.00 0.00 C ATOM 0 H THR A 35 5.201 -9.195 -1.405 1.00 0.00 H new ATOM 0 HA THR A 35 2.679 -8.298 -2.650 1.00 0.00 H new ATOM 0 HB THR A 35 3.090 -10.070 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.798 -11.845 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.881 -11.003 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.814 -9.259 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.777 -9.836 -2.214 1.00 0.00 H new ATOM 562 N VAL A 36 1.856 -6.861 -0.739 1.00 0.00 N ATOM 563 CA VAL A 36 1.533 -5.825 0.232 1.00 0.00 C ATOM 564 C VAL A 36 0.096 -5.948 0.726 1.00 0.00 C ATOM 565 O VAL A 36 -0.815 -6.241 -0.049 1.00 0.00 O ATOM 566 CB VAL A 36 1.737 -4.418 -0.360 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.217 -4.081 -0.440 1.00 0.00 C ATOM 568 CG2 VAL A 36 1.084 -4.317 -1.731 1.00 0.00 C ATOM 0 H VAL A 36 1.142 -7.012 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 36 2.213 -5.965 1.072 1.00 0.00 H new ATOM 0 HB VAL A 36 1.259 -3.693 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.341 -3.083 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.651 -4.110 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.722 -4.808 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.238 -3.316 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.530 -5.051 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.015 -4.511 -1.640 1.00 0.00 H new ATOM 578 N HIS A 37 -0.099 -5.716 2.020 1.00 0.00 N ATOM 579 CA HIS A 37 -1.423 -5.792 2.623 1.00 0.00 C ATOM 580 C HIS A 37 -1.983 -4.393 2.861 1.00 0.00 C ATOM 581 O HIS A 37 -1.476 -3.647 3.697 1.00 0.00 O ATOM 582 CB HIS A 37 -1.364 -6.564 3.942 1.00 0.00 C ATOM 583 CG HIS A 37 -2.711 -6.881 4.512 1.00 0.00 C ATOM 584 ND1 HIS A 37 -2.961 -8.003 5.276 1.00 0.00 N ATOM 585 CD2 HIS A 37 -3.889 -6.216 4.429 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.232 -8.014 5.636 1.00 0.00 C ATOM 587 NE2 HIS A 37 -4.816 -6.941 5.135 1.00 0.00 N ATOM 0 H HIS A 37 0.646 -5.473 2.672 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.083 -6.320 1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.817 -7.494 3.785 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.799 -5.981 4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.065 -5.288 3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.712 -8.772 6.238 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.798 -6.691 5.254 1.00 0.00 H new ATOM 596 N ILE A 38 -3.027 -4.045 2.115 1.00 0.00 N ATOM 597 CA ILE A 38 -3.652 -2.733 2.239 1.00 0.00 C ATOM 598 C ILE A 38 -4.669 -2.706 3.375 1.00 0.00 C ATOM 599 O ILE A 38 -5.631 -3.473 3.380 1.00 0.00 O ATOM 600 CB ILE A 38 -4.355 -2.321 0.930 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.413 -2.496 -0.263 1.00 0.00 C ATOM 602 CG2 ILE A 38 -4.843 -0.882 1.020 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.082 -3.099 -1.479 1.00 0.00 C ATOM 0 H ILE A 38 -3.458 -4.653 1.419 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.852 -2.025 2.457 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.219 -2.969 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.996 -1.525 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.578 -3.130 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.337 -0.606 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.548 -0.788 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.994 -0.220 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.354 -3.194 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.475 -4.084 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.899 -2.454 -1.802 1.00 0.00 H new ATOM 615 N LEU A 39 -4.452 -1.808 4.331 1.00 0.00 N ATOM 616 CA LEU A 39 -5.352 -1.670 5.470 1.00 0.00 C ATOM 617 C LEU A 39 -6.117 -0.349 5.400 1.00 0.00 C ATOM 618 O LEU A 39 -7.206 -0.221 5.959 1.00 0.00 O ATOM 619 CB LEU A 39 -4.570 -1.759 6.785 1.00 0.00 C ATOM 620 CG LEU A 39 -3.710 -0.537 7.116 1.00 0.00 C ATOM 621 CD1 LEU A 39 -4.507 0.470 7.931 1.00 0.00 C ATOM 622 CD2 LEU A 39 -2.455 -0.959 7.867 1.00 0.00 C ATOM 0 H LEU A 39 -3.660 -1.165 4.339 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.072 -2.488 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.277 -1.917 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.926 -2.637 6.747 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.410 -0.062 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.880 1.332 8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.377 0.794 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.836 0.006 8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.854 -0.079 8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.736 -1.457 8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.875 -1.644 7.249 1.00 0.00 H new ATOM 634 N GLU A 40 -5.541 0.630 4.706 1.00 0.00 N ATOM 635 CA GLU A 40 -6.168 1.940 4.559 1.00 0.00 C ATOM 636 C GLU A 40 -6.151 2.383 3.099 1.00 0.00 C ATOM 637 O GLU A 40 -5.263 2.003 2.337 1.00 0.00 O ATOM 638 CB GLU A 40 -5.448 2.972 5.429 1.00 0.00 C ATOM 639 CG GLU A 40 -6.262 3.432 6.628 1.00 0.00 C ATOM 640 CD GLU A 40 -5.404 4.049 7.713 1.00 0.00 C ATOM 641 OE1 GLU A 40 -4.187 3.770 7.740 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.949 4.817 8.536 1.00 0.00 O ATOM 0 H GLU A 40 -4.640 0.540 4.236 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.205 1.863 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.508 2.546 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.196 3.838 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.005 4.159 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.807 2.583 7.040 1.00 0.00 H new ATOM 649 N THR A 41 -7.137 3.188 2.713 1.00 0.00 N ATOM 650 CA THR A 41 -7.227 3.677 1.341 1.00 0.00 C ATOM 651 C THR A 41 -7.861 5.065 1.292 1.00 0.00 C ATOM 652 O THR A 41 -8.220 5.632 2.324 1.00 0.00 O ATOM 653 CB THR A 41 -8.038 2.704 0.482 1.00 0.00 C ATOM 654 OG1 THR A 41 -7.979 3.071 -0.884 1.00 0.00 O ATOM 655 CG2 THR A 41 -9.497 2.630 0.874 1.00 0.00 C ATOM 0 H THR A 41 -7.882 3.514 3.328 1.00 0.00 H new ATOM 0 HA THR A 41 -6.215 3.748 0.944 1.00 0.00 H new ATOM 0 HB THR A 41 -7.584 1.727 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.077 2.903 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.013 1.922 0.225 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.579 2.299 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.952 3.615 0.771 1.00 0.00 H new ATOM 663 N TYR A 42 -7.997 5.604 0.084 1.00 0.00 N ATOM 664 CA TYR A 42 -8.589 6.924 -0.106 1.00 0.00 C ATOM 665 C TYR A 42 -8.676 7.275 -1.589 1.00 0.00 C ATOM 666 O TYR A 42 -9.767 7.401 -2.144 1.00 0.00 O ATOM 667 CB TYR A 42 -7.769 7.985 0.632 1.00 0.00 C ATOM 668 CG TYR A 42 -8.402 9.359 0.615 1.00 0.00 C ATOM 669 CD1 TYR A 42 -8.142 10.252 -0.417 1.00 0.00 C ATOM 670 CD2 TYR A 42 -9.259 9.761 1.632 1.00 0.00 C ATOM 671 CE1 TYR A 42 -8.718 11.507 -0.435 1.00 0.00 C ATOM 672 CE2 TYR A 42 -9.838 11.016 1.621 1.00 0.00 C ATOM 673 CZ TYR A 42 -9.565 11.885 0.586 1.00 0.00 C ATOM 674 OH TYR A 42 -10.141 13.135 0.571 1.00 0.00 O ATOM 0 H TYR A 42 -7.705 5.146 -0.779 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.599 6.903 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.630 7.671 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.778 8.045 0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.479 9.960 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.476 9.082 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.506 12.189 -1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.501 11.315 2.419 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.711 13.242 1.361 1.00 0.00 H new ATOM 684 N GLU A 43 -7.519 7.431 -2.224 1.00 0.00 N ATOM 685 CA GLU A 43 -7.458 7.768 -3.643 1.00 0.00 C ATOM 686 C GLU A 43 -6.008 7.887 -4.102 1.00 0.00 C ATOM 687 O GLU A 43 -5.347 8.892 -3.842 1.00 0.00 O ATOM 688 CB GLU A 43 -8.205 9.078 -3.913 1.00 0.00 C ATOM 689 CG GLU A 43 -9.360 8.929 -4.889 1.00 0.00 C ATOM 690 CD GLU A 43 -8.906 8.479 -6.264 1.00 0.00 C ATOM 691 OE1 GLU A 43 -7.844 8.951 -6.723 1.00 0.00 O ATOM 692 OE2 GLU A 43 -9.612 7.656 -6.884 1.00 0.00 O ATOM 0 H GLU A 43 -6.608 7.329 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.938 6.968 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.585 9.471 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.502 9.813 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.075 8.208 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.882 9.882 -4.976 1.00 0.00 H new ATOM 699 N GLY A 44 -5.516 6.853 -4.778 1.00 0.00 N ATOM 700 CA GLY A 44 -4.144 6.865 -5.250 1.00 0.00 C ATOM 701 C GLY A 44 -3.155 7.046 -4.116 1.00 0.00 C ATOM 702 O GLY A 44 -2.065 7.585 -4.309 1.00 0.00 O ATOM 0 H GLY A 44 -6.042 6.009 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.932 5.931 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.017 7.670 -5.974 1.00 0.00 H new ATOM 706 N TRP A 45 -3.544 6.595 -2.928 1.00 0.00 N ATOM 707 CA TRP A 45 -2.700 6.709 -1.745 1.00 0.00 C ATOM 708 C TRP A 45 -3.214 5.787 -0.644 1.00 0.00 C ATOM 709 O TRP A 45 -4.166 6.124 0.061 1.00 0.00 O ATOM 710 CB TRP A 45 -2.689 8.160 -1.257 1.00 0.00 C ATOM 711 CG TRP A 45 -1.388 8.644 -0.672 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.228 9.772 0.083 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.074 8.056 -0.786 1.00 0.00 C ATOM 714 NE1 TRP A 45 0.085 9.928 0.441 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.813 8.892 -0.076 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.447 6.915 -1.410 1.00 0.00 C ATOM 717 CZ2 TRP A 45 2.176 8.625 0.023 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.800 6.654 -1.307 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.651 7.506 -0.598 1.00 0.00 C ATOM 0 H TRP A 45 -4.444 6.145 -2.759 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.683 6.412 -2.001 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.953 8.807 -2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.470 8.277 -0.505 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.025 10.446 0.359 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.459 10.693 1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.199 6.249 -1.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.835 9.281 0.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.208 5.775 -1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.704 7.275 -0.540 1.00 0.00 H new ATOM 730 N TYR A 46 -2.592 4.621 -0.508 1.00 0.00 N ATOM 731 CA TYR A 46 -3.007 3.652 0.501 1.00 0.00 C ATOM 732 C TYR A 46 -1.881 3.352 1.483 1.00 0.00 C ATOM 733 O TYR A 46 -0.709 3.598 1.198 1.00 0.00 O ATOM 734 CB TYR A 46 -3.459 2.349 -0.164 1.00 0.00 C ATOM 735 CG TYR A 46 -4.321 2.546 -1.392 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.192 3.624 -1.494 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.263 1.647 -2.449 1.00 0.00 C ATOM 738 CE1 TYR A 46 -5.980 3.799 -2.615 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.046 1.816 -3.573 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.904 2.893 -3.652 1.00 0.00 C ATOM 741 OH TYR A 46 -6.686 3.065 -4.771 1.00 0.00 O ATOM 0 H TYR A 46 -1.802 4.324 -1.081 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.839 4.091 1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.578 1.771 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.013 1.756 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.254 4.336 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.594 0.801 -2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.653 4.642 -2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.987 1.108 -4.387 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.511 2.340 -5.407 1.00 0.00 H new ATOM 751 N ARG A 47 -2.251 2.811 2.639 1.00 0.00 N ATOM 752 CA ARG A 47 -1.283 2.461 3.670 1.00 0.00 C ATOM 753 C ARG A 47 -1.379 0.978 4.009 1.00 0.00 C ATOM 754 O ARG A 47 -2.468 0.459 4.257 1.00 0.00 O ATOM 755 CB ARG A 47 -1.519 3.299 4.930 1.00 0.00 C ATOM 756 CG ARG A 47 -0.474 3.078 6.011 1.00 0.00 C ATOM 757 CD ARG A 47 -0.471 4.213 7.022 1.00 0.00 C ATOM 758 NE ARG A 47 0.858 4.440 7.586 1.00 0.00 N ATOM 759 CZ ARG A 47 1.172 5.488 8.345 1.00 0.00 C ATOM 760 NH1 ARG A 47 0.258 6.405 8.633 1.00 0.00 N ATOM 761 NH2 ARG A 47 2.405 5.617 8.817 1.00 0.00 N ATOM 0 H ARG A 47 -3.219 2.605 2.885 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.284 2.671 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.531 4.354 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.503 3.063 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.670 2.135 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.512 2.994 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.822 5.127 6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.172 3.985 7.825 1.00 0.00 H new ATOM 0 HE ARG A 47 1.588 3.756 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.691 6.310 8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.505 7.206 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.111 4.914 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.647 6.419 9.399 1.00 0.00 H new ATOM 775 N GLY A 48 -0.238 0.300 4.014 1.00 0.00 N ATOM 776 CA GLY A 48 -0.226 -1.117 4.319 1.00 0.00 C ATOM 777 C GLY A 48 1.133 -1.602 4.782 1.00 0.00 C ATOM 778 O GLY A 48 1.991 -0.802 5.155 1.00 0.00 O ATOM 0 H GLY A 48 0.676 0.705 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.965 -1.325 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.526 -1.678 3.434 1.00 0.00 H new ATOM 782 N TYR A 49 1.328 -2.916 4.757 1.00 0.00 N ATOM 783 CA TYR A 49 2.593 -3.507 5.177 1.00 0.00 C ATOM 784 C TYR A 49 2.952 -4.702 4.300 1.00 0.00 C ATOM 785 O TYR A 49 2.163 -5.633 4.148 1.00 0.00 O ATOM 786 CB TYR A 49 2.515 -3.941 6.642 1.00 0.00 C ATOM 787 CG TYR A 49 1.282 -4.753 6.968 1.00 0.00 C ATOM 788 CD1 TYR A 49 1.262 -6.129 6.777 1.00 0.00 C ATOM 789 CD2 TYR A 49 0.139 -4.144 7.467 1.00 0.00 C ATOM 790 CE1 TYR A 49 0.137 -6.874 7.073 1.00 0.00 C ATOM 791 CE2 TYR A 49 -0.991 -4.882 7.767 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.986 -6.246 7.568 1.00 0.00 C ATOM 793 OH TYR A 49 -2.107 -6.986 7.864 1.00 0.00 O ATOM 0 H TYR A 49 0.627 -3.591 4.451 1.00 0.00 H new ATOM 0 HA TYR A 49 3.372 -2.752 5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.401 -4.527 6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.534 -3.055 7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.141 -6.624 6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.132 -3.075 7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.137 -7.943 6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.872 -4.393 8.155 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.377 -7.500 7.075 1.00 0.00 H new ATOM 803 N THR A 50 4.151 -4.668 3.726 1.00 0.00 N ATOM 804 CA THR A 50 4.616 -5.748 2.866 1.00 0.00 C ATOM 805 C THR A 50 4.705 -7.060 3.642 1.00 0.00 C ATOM 806 O THR A 50 4.994 -7.065 4.839 1.00 0.00 O ATOM 807 CB THR A 50 5.979 -5.402 2.265 1.00 0.00 C ATOM 808 OG1 THR A 50 6.616 -4.383 3.017 1.00 0.00 O ATOM 809 CG2 THR A 50 5.899 -4.929 0.829 1.00 0.00 C ATOM 0 H THR A 50 4.817 -3.904 3.842 1.00 0.00 H new ATOM 0 HA THR A 50 3.895 -5.872 2.058 1.00 0.00 H new ATOM 0 HB THR A 50 6.550 -6.330 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.487 -4.177 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.901 -4.701 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.458 -5.712 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.280 -4.033 0.775 1.00 0.00 H new ATOM 817 N LEU A 51 4.454 -8.168 2.953 1.00 0.00 N ATOM 818 CA LEU A 51 4.506 -9.484 3.577 1.00 0.00 C ATOM 819 C LEU A 51 5.887 -9.749 4.172 1.00 0.00 C ATOM 820 O LEU A 51 6.019 -10.463 5.167 1.00 0.00 O ATOM 821 CB LEU A 51 4.158 -10.571 2.558 1.00 0.00 C ATOM 822 CG LEU A 51 2.678 -10.950 2.498 1.00 0.00 C ATOM 823 CD1 LEU A 51 2.243 -11.606 3.800 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.825 -9.725 2.205 1.00 0.00 C ATOM 0 H LEU A 51 4.213 -8.180 1.962 1.00 0.00 H new ATOM 0 HA LEU A 51 3.772 -9.506 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.472 -10.235 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.737 -11.465 2.790 1.00 0.00 H new ATOM 0 HG LEU A 51 2.538 -11.667 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.187 -11.869 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.833 -12.507 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.397 -10.912 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.775 -10.014 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.969 -8.985 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.120 -9.297 1.247 1.00 0.00 H new ATOM 836 N ARG A 52 6.911 -9.168 3.555 1.00 0.00 N ATOM 837 CA ARG A 52 8.283 -9.340 4.024 1.00 0.00 C ATOM 838 C ARG A 52 8.536 -8.503 5.273 1.00 0.00 C ATOM 839 O ARG A 52 9.308 -8.895 6.150 1.00 0.00 O ATOM 840 CB ARG A 52 9.271 -8.952 2.922 1.00 0.00 C ATOM 841 CG ARG A 52 9.803 -10.138 2.137 1.00 0.00 C ATOM 842 CD ARG A 52 10.853 -10.904 2.926 1.00 0.00 C ATOM 843 NE ARG A 52 11.846 -10.014 3.522 1.00 0.00 N ATOM 844 CZ ARG A 52 12.852 -9.466 2.844 1.00 0.00 C ATOM 845 NH1 ARG A 52 13.001 -9.713 1.549 1.00 0.00 N ATOM 846 NH2 ARG A 52 13.711 -8.666 3.463 1.00 0.00 N ATOM 0 H ARG A 52 6.818 -8.575 2.730 1.00 0.00 H new ATOM 0 HA ARG A 52 8.429 -10.390 4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.783 -8.262 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.109 -8.417 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.980 -10.805 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.234 -9.790 1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.366 -11.482 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.352 -11.616 2.269 1.00 0.00 H new ATOM 0 HE ARG A 52 11.764 -9.800 4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.343 -10.326 1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.774 -9.290 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.600 -8.471 4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.482 -8.246 2.944 1.00 0.00 H new ATOM 860 N LYS A 53 7.885 -7.347 5.346 1.00 0.00 N ATOM 861 CA LYS A 53 8.040 -6.453 6.489 1.00 0.00 C ATOM 862 C LYS A 53 6.710 -6.256 7.211 1.00 0.00 C ATOM 863 O LYS A 53 6.016 -5.263 6.994 1.00 0.00 O ATOM 864 CB LYS A 53 8.590 -5.100 6.033 1.00 0.00 C ATOM 865 CG LYS A 53 9.759 -5.213 5.068 1.00 0.00 C ATOM 866 CD LYS A 53 10.157 -3.853 4.515 1.00 0.00 C ATOM 867 CE LYS A 53 11.160 -3.157 5.419 1.00 0.00 C ATOM 868 NZ LYS A 53 11.838 -2.025 4.728 1.00 0.00 N ATOM 0 H LYS A 53 7.245 -7.007 4.628 1.00 0.00 H new ATOM 0 HA LYS A 53 8.745 -6.910 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.790 -4.534 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.905 -4.532 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.611 -5.664 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.491 -5.877 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.585 -3.975 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.270 -3.229 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.651 -2.787 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.906 -3.877 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.514 -1.576 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.345 -2.382 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.129 -1.325 4.430 1.00 0.00 H new ATOM 882 N LYS A 54 6.363 -7.209 8.068 1.00 0.00 N ATOM 883 CA LYS A 54 5.118 -7.141 8.824 1.00 0.00 C ATOM 884 C LYS A 54 5.193 -6.067 9.905 1.00 0.00 C ATOM 885 O LYS A 54 4.186 -5.450 10.251 1.00 0.00 O ATOM 886 CB LYS A 54 4.807 -8.498 9.459 1.00 0.00 C ATOM 887 CG LYS A 54 4.508 -9.592 8.446 1.00 0.00 C ATOM 888 CD LYS A 54 3.540 -10.620 9.007 1.00 0.00 C ATOM 889 CE LYS A 54 3.062 -11.582 7.931 1.00 0.00 C ATOM 890 NZ LYS A 54 2.946 -12.976 8.443 1.00 0.00 N ATOM 0 H LYS A 54 6.926 -8.038 8.257 1.00 0.00 H new ATOM 0 HA LYS A 54 4.318 -6.879 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.654 -8.805 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.952 -8.390 10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.087 -9.149 7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.436 -10.085 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.025 -11.179 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.683 -10.111 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.094 -11.252 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.756 -11.561 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.617 -13.600 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.875 -13.300 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.265 -13.002 9.228 1.00 0.00 H new ATOM 904 N SER A 55 6.393 -5.849 10.433 1.00 0.00 N ATOM 905 CA SER A 55 6.599 -4.852 11.476 1.00 0.00 C ATOM 906 C SER A 55 6.624 -3.444 10.887 1.00 0.00 C ATOM 907 O SER A 55 6.065 -2.511 11.464 1.00 0.00 O ATOM 908 CB SER A 55 7.905 -5.126 12.224 1.00 0.00 C ATOM 909 OG SER A 55 7.982 -4.363 13.414 1.00 0.00 O ATOM 0 H SER A 55 7.237 -6.350 10.155 1.00 0.00 H new ATOM 0 HA SER A 55 5.766 -4.920 12.176 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.974 -6.187 12.464 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.752 -4.889 11.581 1.00 0.00 H new ATOM 0 HG SER A 55 8.825 -4.558 13.874 1.00 0.00 H new ATOM 915 N LYS A 56 7.274 -3.300 9.738 1.00 0.00 N ATOM 916 CA LYS A 56 7.372 -2.005 9.073 1.00 0.00 C ATOM 917 C LYS A 56 6.092 -1.687 8.306 1.00 0.00 C ATOM 918 O LYS A 56 5.538 -2.546 7.619 1.00 0.00 O ATOM 919 CB LYS A 56 8.571 -1.987 8.121 1.00 0.00 C ATOM 920 CG LYS A 56 9.380 -0.702 8.187 1.00 0.00 C ATOM 921 CD LYS A 56 10.435 -0.764 9.280 1.00 0.00 C ATOM 922 CE LYS A 56 11.642 -1.580 8.845 1.00 0.00 C ATOM 923 NZ LYS A 56 11.628 -2.949 9.435 1.00 0.00 N ATOM 0 H LYS A 56 7.741 -4.063 9.247 1.00 0.00 H new ATOM 0 HA LYS A 56 7.513 -1.241 9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.222 -2.829 8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.216 -2.131 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.861 -0.524 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.713 0.140 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.752 0.246 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.003 -1.203 10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.658 -1.653 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.555 -1.065 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.351 -3.013 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.691 -3.141 9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.832 -3.649 8.693 1.00 0.00 H new ATOM 937 N LYS A 57 5.627 -0.448 8.430 1.00 0.00 N ATOM 938 CA LYS A 57 4.413 -0.013 7.749 1.00 0.00 C ATOM 939 C LYS A 57 4.691 1.197 6.864 1.00 0.00 C ATOM 940 O LYS A 57 5.587 1.992 7.148 1.00 0.00 O ATOM 941 CB LYS A 57 3.326 0.325 8.770 1.00 0.00 C ATOM 942 CG LYS A 57 1.976 0.635 8.142 1.00 0.00 C ATOM 943 CD LYS A 57 1.030 1.276 9.144 1.00 0.00 C ATOM 944 CE LYS A 57 0.346 0.230 10.011 1.00 0.00 C ATOM 945 NZ LYS A 57 1.162 -0.122 11.207 1.00 0.00 N ATOM 0 H LYS A 57 6.073 0.273 8.997 1.00 0.00 H new ATOM 0 HA LYS A 57 4.066 -0.830 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.213 -0.512 9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.648 1.183 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.114 1.303 7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.533 -0.284 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.584 1.969 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.277 1.860 8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.626 0.604 10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.162 -0.667 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.331 -1.148 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.073 0.378 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.652 0.158 12.069 1.00 0.00 H new ATOM 959 N GLY A 58 3.921 1.331 5.789 1.00 0.00 N ATOM 960 CA GLY A 58 4.105 2.448 4.881 1.00 0.00 C ATOM 961 C GLY A 58 2.934 2.633 3.937 1.00 0.00 C ATOM 962 O GLY A 58 1.901 1.981 4.080 1.00 0.00 O ATOM 0 H GLY A 58 3.174 0.687 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.248 3.361 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.014 2.293 4.300 1.00 0.00 H new ATOM 966 N ILE A 59 3.100 3.526 2.966 1.00 0.00 N ATOM 967 CA ILE A 59 2.053 3.799 1.988 1.00 0.00 C ATOM 968 C ILE A 59 2.600 3.710 0.566 1.00 0.00 C ATOM 969 O ILE A 59 3.796 3.890 0.339 1.00 0.00 O ATOM 970 CB ILE A 59 1.427 5.193 2.202 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.514 6.224 2.512 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.399 5.139 3.324 1.00 0.00 C ATOM 973 CD1 ILE A 59 1.977 7.611 2.788 1.00 0.00 C ATOM 0 H ILE A 59 3.951 4.073 2.836 1.00 0.00 H new ATOM 0 HA ILE A 59 1.281 3.042 2.129 1.00 0.00 H new ATOM 0 HB ILE A 59 0.922 5.496 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.086 5.887 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.206 6.273 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.036 6.128 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.387 4.431 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.884 4.820 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.806 8.287 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.430 7.970 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.308 7.578 3.648 1.00 0.00 H new ATOM 985 N PHE A 60 1.718 3.427 -0.386 1.00 0.00 N ATOM 986 CA PHE A 60 2.115 3.311 -1.785 1.00 0.00 C ATOM 987 C PHE A 60 0.971 3.717 -2.710 1.00 0.00 C ATOM 988 O PHE A 60 -0.199 3.630 -2.338 1.00 0.00 O ATOM 989 CB PHE A 60 2.550 1.877 -2.095 1.00 0.00 C ATOM 990 CG PHE A 60 1.542 0.841 -1.688 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.304 0.777 -2.308 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.831 -0.069 -0.683 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.623 -0.174 -1.936 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.905 -1.023 -0.307 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.324 -1.075 -0.935 1.00 0.00 C ATOM 0 H PHE A 60 0.724 3.274 -0.215 1.00 0.00 H new ATOM 0 HA PHE A 60 2.955 3.985 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.739 1.787 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.492 1.674 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.062 1.480 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.790 -0.032 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.583 -0.213 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.142 -1.727 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.050 -1.820 -0.643 1.00 0.00 H new ATOM 1005 N PRO A 61 1.297 4.166 -3.934 1.00 0.00 N ATOM 1006 CA PRO A 61 0.290 4.584 -4.912 1.00 0.00 C ATOM 1007 C PRO A 61 -0.384 3.396 -5.591 1.00 0.00 C ATOM 1008 O PRO A 61 0.270 2.414 -5.941 1.00 0.00 O ATOM 1009 CB PRO A 61 1.105 5.388 -5.921 1.00 0.00 C ATOM 1010 CG PRO A 61 2.461 4.773 -5.880 1.00 0.00 C ATOM 1011 CD PRO A 61 2.668 4.303 -4.462 1.00 0.00 C ATOM 0 HA PRO A 61 -0.524 5.145 -4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.672 5.327 -6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.140 6.444 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.532 3.941 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.225 5.496 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.206 3.356 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.250 5.021 -3.883 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.696 3.496 -5.775 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.472 2.434 -6.411 1.00 0.00 C ATOM 1021 C ALA A 62 -2.122 2.280 -7.893 1.00 0.00 C ATOM 1022 O ALA A 62 -2.561 1.331 -8.545 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.959 2.709 -6.251 1.00 0.00 C ATOM 0 H ALA A 62 -2.248 4.306 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.219 1.497 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.530 1.912 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.209 2.750 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.205 3.662 -6.719 1.00 0.00 H new ATOM 1029 N SER A 63 -1.350 3.223 -8.425 1.00 0.00 N ATOM 1030 CA SER A 63 -0.962 3.201 -9.832 1.00 0.00 C ATOM 1031 C SER A 63 -0.412 1.840 -10.264 1.00 0.00 C ATOM 1032 O SER A 63 -0.455 1.499 -11.446 1.00 0.00 O ATOM 1033 CB SER A 63 0.081 4.286 -10.105 1.00 0.00 C ATOM 1034 OG SER A 63 -0.207 5.466 -9.376 1.00 0.00 O ATOM 0 H SER A 63 -0.979 4.015 -7.900 1.00 0.00 H new ATOM 0 HA SER A 63 -1.862 3.393 -10.416 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.071 3.920 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.106 4.511 -11.171 1.00 0.00 H new ATOM 0 HG SER A 63 0.475 6.143 -9.567 1.00 0.00 H new ATOM 1040 N TYR A 64 0.112 1.064 -9.317 1.00 0.00 N ATOM 1041 CA TYR A 64 0.666 -0.248 -9.646 1.00 0.00 C ATOM 1042 C TYR A 64 0.267 -1.313 -8.627 1.00 0.00 C ATOM 1043 O TYR A 64 0.952 -2.325 -8.481 1.00 0.00 O ATOM 1044 CB TYR A 64 2.191 -0.170 -9.747 1.00 0.00 C ATOM 1045 CG TYR A 64 2.873 0.244 -8.461 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.131 -0.682 -7.458 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.259 1.562 -8.251 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.756 -0.307 -6.284 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.884 1.945 -7.080 1.00 0.00 C ATOM 1050 CZ TYR A 64 4.131 1.005 -6.100 1.00 0.00 C ATOM 1051 OH TYR A 64 4.753 1.383 -4.932 1.00 0.00 O ATOM 0 H TYR A 64 0.165 1.316 -8.330 1.00 0.00 H new ATOM 0 HA TYR A 64 0.250 -0.541 -10.610 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.575 -1.143 -10.053 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.457 0.538 -10.532 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.838 -1.712 -7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.067 2.300 -9.016 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.949 -1.040 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.178 2.974 -6.932 1.00 0.00 H new ATOM 0 HH TYR A 64 5.161 2.266 -5.050 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.843 -1.094 -7.931 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.311 -2.056 -6.939 1.00 0.00 C ATOM 1063 C ILE A 65 -2.428 -2.930 -7.503 1.00 0.00 C ATOM 1064 O ILE A 65 -3.374 -2.431 -8.114 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.818 -1.360 -5.662 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.784 -0.350 -5.160 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.121 -2.389 -4.584 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.545 -0.976 -4.797 1.00 0.00 C ATOM 0 H ILE A 65 -1.431 -0.267 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.454 -2.680 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.738 -0.825 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.623 0.405 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.185 0.165 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.478 -1.882 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.887 -3.076 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.215 -2.947 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.229 -0.202 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.397 -1.711 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.968 -1.467 -5.674 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.311 -4.236 -7.290 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.307 -5.185 -7.773 1.00 0.00 C ATOM 1082 C HIS A 66 -3.724 -6.143 -6.660 1.00 0.00 C ATOM 1083 O HIS A 66 -2.892 -6.853 -6.096 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.758 -5.975 -8.962 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.803 -6.761 -9.693 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.235 -6.440 -10.962 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -4.502 -7.862 -9.326 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -5.156 -7.307 -11.344 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -5.336 -8.180 -10.370 1.00 0.00 N ATOM 0 H HIS A 66 -1.534 -4.662 -6.785 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.183 -4.623 -8.096 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.282 -5.284 -9.658 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.984 -6.656 -8.609 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.419 -8.391 -8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.674 -7.302 -12.292 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.989 -8.964 -10.390 1.00 0.00 H new ATOM 1098 N LEU A 67 -5.016 -6.152 -6.346 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.541 -7.020 -5.298 1.00 0.00 C ATOM 1100 C LEU A 67 -5.600 -8.470 -5.766 1.00 0.00 C ATOM 1101 O LEU A 67 -6.035 -8.757 -6.880 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.934 -6.554 -4.871 1.00 0.00 C ATOM 1103 CG LEU A 67 -6.955 -5.300 -3.996 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.138 -5.518 -2.732 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -6.430 -4.101 -4.772 1.00 0.00 C ATOM 0 H LEU A 67 -5.718 -5.569 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.866 -6.961 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.528 -6.365 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.422 -7.365 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.986 -5.098 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.164 -4.615 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.557 -6.351 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.106 -5.745 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.452 -3.217 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.405 -4.294 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.056 -3.932 -5.648 1.00 0.00 H new ATOM 1117 N LYS A 68 -5.164 -9.382 -4.902 1.00 0.00 N ATOM 1118 CA LYS A 68 -5.168 -10.805 -5.224 1.00 0.00 C ATOM 1119 C LYS A 68 -6.224 -11.541 -4.404 1.00 0.00 C ATOM 1120 O LYS A 68 -6.983 -10.926 -3.655 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.787 -11.411 -4.964 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.878 -11.395 -6.182 1.00 0.00 C ATOM 1123 CD LYS A 68 -3.248 -12.491 -7.169 1.00 0.00 C ATOM 1124 CE LYS A 68 -2.142 -12.720 -8.186 1.00 0.00 C ATOM 1125 NZ LYS A 68 -2.684 -13.096 -9.521 1.00 0.00 N ATOM 0 H LYS A 68 -4.804 -9.161 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.411 -10.916 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.305 -10.863 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.909 -12.440 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.944 -10.424 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.843 -11.523 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.445 -13.417 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.169 -12.221 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.542 -11.815 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.478 -13.507 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.898 -13.243 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.236 -13.974 -9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.298 -12.334 -9.874 1.00 0.00 H new ATOM 1139 N GLU A 69 -6.265 -12.861 -4.550 1.00 0.00 N ATOM 1140 CA GLU A 69 -7.228 -13.681 -3.823 1.00 0.00 C ATOM 1141 C GLU A 69 -6.547 -14.449 -2.694 1.00 0.00 C ATOM 1142 O GLU A 69 -6.638 -15.675 -2.618 1.00 0.00 O ATOM 1143 CB GLU A 69 -7.924 -14.653 -4.777 1.00 0.00 C ATOM 1144 CG GLU A 69 -9.196 -14.096 -5.395 1.00 0.00 C ATOM 1145 CD GLU A 69 -10.237 -15.167 -5.654 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -9.879 -16.214 -6.234 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -11.408 -14.960 -5.277 1.00 0.00 O ATOM 0 H GLU A 69 -5.643 -13.386 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.975 -13.019 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.232 -14.924 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.164 -15.569 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.616 -13.339 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.952 -13.598 -6.333 1.00 0.00 H new ATOM 1154 N ALA A 70 -5.864 -13.720 -1.818 1.00 0.00 N ATOM 1155 CA ALA A 70 -5.165 -14.332 -0.693 1.00 0.00 C ATOM 1156 C ALA A 70 -4.145 -15.359 -1.171 1.00 0.00 C ATOM 1157 O ALA A 70 -4.152 -16.510 -0.733 1.00 0.00 O ATOM 1158 CB ALA A 70 -6.163 -14.976 0.260 1.00 0.00 C ATOM 0 H ALA A 70 -5.779 -12.705 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.626 -13.548 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.629 -15.429 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.848 -14.217 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.728 -15.744 -0.269 1.00 0.00 H new ATOM 1164 N ILE A 71 -3.267 -14.935 -2.074 1.00 0.00 N ATOM 1165 CA ILE A 71 -2.239 -15.816 -2.614 1.00 0.00 C ATOM 1166 C ILE A 71 -1.056 -15.930 -1.659 1.00 0.00 C ATOM 1167 O ILE A 71 -1.017 -15.270 -0.620 1.00 0.00 O ATOM 1168 CB ILE A 71 -1.734 -15.319 -3.981 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -1.186 -13.896 -3.862 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -2.852 -15.376 -5.012 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -0.319 -13.481 -5.031 1.00 0.00 C ATOM 0 H ILE A 71 -3.247 -13.986 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.698 -16.797 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.927 -15.973 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.021 -13.200 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.606 -13.815 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.479 -15.021 -5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.200 -16.404 -5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.678 -14.744 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.034 -12.461 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.536 -14.153 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.901 -13.529 -5.951 1.00 0.00 H new ATOM 1183 N VAL A 72 -0.092 -16.772 -2.018 1.00 0.00 N ATOM 1184 CA VAL A 72 1.093 -16.972 -1.192 1.00 0.00 C ATOM 1185 C VAL A 72 2.331 -17.210 -2.054 1.00 0.00 C ATOM 1186 O VAL A 72 3.038 -18.204 -1.886 1.00 0.00 O ATOM 1187 CB VAL A 72 0.909 -18.161 -0.225 1.00 0.00 C ATOM 1188 CG1 VAL A 72 0.710 -19.456 -0.999 1.00 0.00 C ATOM 1189 CG2 VAL A 72 2.095 -18.270 0.722 1.00 0.00 C ATOM 0 H VAL A 72 -0.108 -17.326 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 72 1.233 -16.061 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 72 0.015 -17.984 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.582 -20.282 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.177 -19.372 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.582 -19.643 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.946 -19.114 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.008 -18.422 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.182 -17.352 1.304 1.00 0.00 H new ATOM 1199 N GLU A 73 2.586 -16.289 -2.978 1.00 0.00 N ATOM 1200 CA GLU A 73 3.738 -16.398 -3.866 1.00 0.00 C ATOM 1201 C GLU A 73 4.505 -15.081 -3.923 1.00 0.00 C ATOM 1202 O GLU A 73 4.288 -14.261 -4.814 1.00 0.00 O ATOM 1203 CB GLU A 73 3.289 -16.801 -5.272 1.00 0.00 C ATOM 1204 CG GLU A 73 2.469 -18.080 -5.304 1.00 0.00 C ATOM 1205 CD GLU A 73 3.316 -19.307 -5.577 1.00 0.00 C ATOM 1206 OE1 GLU A 73 4.059 -19.731 -4.667 1.00 0.00 O ATOM 1207 OE2 GLU A 73 3.237 -19.845 -6.702 1.00 0.00 O ATOM 0 H GLU A 73 2.011 -15.460 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 73 4.400 -17.168 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.701 -15.991 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.169 -16.927 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.955 -18.202 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.700 -17.995 -6.072 1.00 0.00 H new ATOM 1214 N GLY A 74 5.407 -14.887 -2.966 1.00 0.00 N ATOM 1215 CA GLY A 74 6.194 -13.668 -2.926 1.00 0.00 C ATOM 1216 C GLY A 74 7.527 -13.861 -2.227 1.00 0.00 C ATOM 1217 O GLY A 74 8.470 -14.360 -2.876 1.00 0.00 O ATOM 1218 OXT GLY A 74 7.626 -13.512 -1.032 1.00 0.00 O ATOM 0 H GLY A 74 5.607 -15.551 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.368 -13.318 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.628 -12.890 -2.414 1.00 0.00 H new TER 1222 GLY A 74