USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 268 hydrogens (11 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 NoAdj-H: A 13 ASNHD21 : A 13 ASN ND2 : A 101 4N2 C1 :(H bumps) USER MOD Set 1.1: A 20 ASN : amide:sc= 2.1 K(o=2.8,f=-5.4!) USER MOD Set 1.2: A 23 THR OG1 : rot -55:sc= 0.724 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 178:sc= -0.0324 (180deg=-0.0403) USER MOD Single : A 15 THR OG1 : rot 83:sc= 1.03 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0047 X(o=-0.0047,f=-0.22) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 32 SER OG : rot -41:sc= 0.45 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.761 5.056 -23.182 1.00 0.00 N ATOM 2 CA LYS A 1 -15.409 5.518 -22.761 1.00 0.00 C ATOM 3 C LYS A 1 -14.358 4.414 -22.923 1.00 0.00 C ATOM 4 O LYS A 1 -13.542 4.487 -23.844 1.00 0.00 O ATOM 5 CB LYS A 1 -15.427 6.147 -21.349 1.00 0.00 C ATOM 6 CG LYS A 1 -14.068 6.758 -20.964 1.00 0.00 C ATOM 7 CD LYS A 1 -14.134 7.456 -19.600 1.00 0.00 C ATOM 8 CE LYS A 1 -12.759 8.029 -19.241 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.802 8.785 -17.962 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.446 5.829 -23.059 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.735 4.773 -24.182 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.047 4.243 -22.599 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.109 6.319 -23.436 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.195 6.920 -21.308 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.701 5.386 -20.618 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.310 5.975 -20.937 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.760 7.474 -21.726 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.875 8.255 -19.626 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.454 6.749 -18.835 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.035 7.218 -19.162 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.416 8.685 -20.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.856 9.159 -17.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.475 9.573 -18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.105 8.152 -17.195 1.00 0.00 H new ATOM 25 N LEU A 2 -14.362 3.387 -22.060 1.00 0.00 N ATOM 26 CA LEU A 2 -13.447 2.239 -22.150 1.00 0.00 C ATOM 27 C LEU A 2 -13.804 1.303 -23.333 1.00 0.00 C ATOM 28 O LEU A 2 -14.961 1.297 -23.773 1.00 0.00 O ATOM 29 CB LEU A 2 -13.446 1.454 -20.817 1.00 0.00 C ATOM 30 CG LEU A 2 -12.894 2.127 -19.544 1.00 0.00 C ATOM 31 CD1 LEU A 2 -11.731 3.080 -19.812 1.00 0.00 C ATOM 32 CD2 LEU A 2 -13.970 2.857 -18.746 1.00 0.00 C ATOM 0 H LEU A 2 -15.007 3.329 -21.272 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.446 2.628 -22.338 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -14.474 1.158 -20.611 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.876 0.539 -20.977 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.517 1.296 -18.948 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.394 3.516 -18.872 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.909 2.531 -20.272 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.058 3.874 -20.484 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.522 3.311 -17.862 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.418 3.634 -19.365 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.740 2.148 -18.440 1.00 0.00 H new ATOM 44 N PRO A 3 -12.851 0.491 -23.843 1.00 0.00 N ATOM 45 CA PRO A 3 -13.129 -0.555 -24.834 1.00 0.00 C ATOM 46 C PRO A 3 -14.029 -1.684 -24.273 1.00 0.00 C ATOM 47 O PRO A 3 -14.228 -1.764 -23.054 1.00 0.00 O ATOM 48 CB PRO A 3 -11.750 -1.057 -25.288 1.00 0.00 C ATOM 49 CG PRO A 3 -10.849 -0.781 -24.090 1.00 0.00 C ATOM 50 CD PRO A 3 -11.438 0.484 -23.480 1.00 0.00 C ATOM 0 HA PRO A 3 -13.703 -0.166 -25.675 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.772 -2.118 -25.535 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.405 -0.530 -26.177 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.859 -1.610 -23.382 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.813 -0.634 -24.394 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.314 0.488 -22.397 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.934 1.372 -23.862 1.00 0.00 H new ATOM 58 N PRO A 4 -14.592 -2.569 -25.124 1.00 0.00 N ATOM 59 CA PRO A 4 -15.620 -3.538 -24.729 1.00 0.00 C ATOM 60 C PRO A 4 -15.268 -4.410 -23.513 1.00 0.00 C ATOM 61 O PRO A 4 -14.190 -5.004 -23.428 1.00 0.00 O ATOM 62 CB PRO A 4 -15.893 -4.383 -25.977 1.00 0.00 C ATOM 63 CG PRO A 4 -15.631 -3.389 -27.105 1.00 0.00 C ATOM 64 CD PRO A 4 -14.443 -2.588 -26.576 1.00 0.00 C ATOM 0 HA PRO A 4 -16.503 -2.999 -24.385 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.232 -5.248 -26.035 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.915 -4.761 -25.997 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.395 -3.893 -28.042 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.496 -2.753 -27.294 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.499 -3.050 -26.866 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.441 -1.577 -26.982 1.00 0.00 H new ATOM 72 N GLY A 5 -16.208 -4.490 -22.566 1.00 0.00 N ATOM 73 CA GLY A 5 -16.106 -5.266 -21.323 1.00 0.00 C ATOM 74 C GLY A 5 -15.320 -4.608 -20.179 1.00 0.00 C ATOM 75 O GLY A 5 -15.416 -5.088 -19.050 1.00 0.00 O ATOM 0 H GLY A 5 -17.097 -3.997 -22.646 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.114 -5.480 -20.968 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.639 -6.224 -21.554 1.00 0.00 H new ATOM 79 N TRP A 6 -14.573 -3.526 -20.420 1.00 0.00 N ATOM 80 CA TRP A 6 -13.773 -2.832 -19.397 1.00 0.00 C ATOM 81 C TRP A 6 -14.579 -1.791 -18.603 1.00 0.00 C ATOM 82 O TRP A 6 -15.397 -1.055 -19.157 1.00 0.00 O ATOM 83 CB TRP A 6 -12.541 -2.190 -20.043 1.00 0.00 C ATOM 84 CG TRP A 6 -11.491 -3.142 -20.536 1.00 0.00 C ATOM 85 CD1 TRP A 6 -11.439 -3.663 -21.783 1.00 0.00 C ATOM 86 CD2 TRP A 6 -10.349 -3.712 -19.820 1.00 0.00 C ATOM 87 NE1 TRP A 6 -10.339 -4.489 -21.900 1.00 0.00 N ATOM 88 CE2 TRP A 6 -9.631 -4.559 -20.720 1.00 0.00 C ATOM 89 CE3 TRP A 6 -9.838 -3.599 -18.506 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -8.480 -5.264 -20.339 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -8.678 -4.299 -18.117 1.00 0.00 C ATOM 92 CH2 TRP A 6 -8.001 -5.131 -19.025 1.00 0.00 C ATOM 0 H TRP A 6 -14.504 -3.099 -21.344 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.456 -3.584 -18.675 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -12.872 -1.577 -20.882 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -12.083 -1.517 -19.318 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -12.151 -3.463 -22.570 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -10.082 -4.985 -22.753 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -10.344 -2.967 -17.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.969 -5.900 -21.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -8.305 -4.195 -17.109 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -7.116 -5.666 -18.714 1.00 0.00 H new ATOM 103 N GLU A 7 -14.309 -1.699 -17.300 1.00 0.00 N ATOM 104 CA GLU A 7 -14.902 -0.734 -16.361 1.00 0.00 C ATOM 105 C GLU A 7 -13.912 -0.388 -15.224 1.00 0.00 C ATOM 106 O GLU A 7 -13.004 -1.171 -14.924 1.00 0.00 O ATOM 107 CB GLU A 7 -16.218 -1.326 -15.817 1.00 0.00 C ATOM 108 CG GLU A 7 -17.109 -0.299 -15.103 1.00 0.00 C ATOM 109 CD GLU A 7 -18.506 -0.872 -14.787 1.00 0.00 C ATOM 110 OE1 GLU A 7 -18.601 -1.961 -14.165 1.00 0.00 O ATOM 111 OE2 GLU A 7 -19.528 -0.222 -15.127 1.00 0.00 O ATOM 0 H GLU A 7 -13.641 -2.322 -16.846 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.120 0.202 -16.876 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.777 -1.766 -16.643 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.983 -2.134 -15.124 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.628 0.018 -14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.213 0.588 -15.728 1.00 0.00 H new ATOM 118 N LYS A 8 -14.069 0.774 -14.573 1.00 0.00 N ATOM 119 CA LYS A 8 -13.252 1.176 -13.414 1.00 0.00 C ATOM 120 C LYS A 8 -13.545 0.331 -12.175 1.00 0.00 C ATOM 121 O LYS A 8 -14.681 -0.076 -11.915 1.00 0.00 O ATOM 122 CB LYS A 8 -13.412 2.673 -13.104 1.00 0.00 C ATOM 123 CG LYS A 8 -12.586 3.503 -14.092 1.00 0.00 C ATOM 124 CD LYS A 8 -12.705 5.018 -13.873 1.00 0.00 C ATOM 125 CE LYS A 8 -11.985 5.452 -12.590 1.00 0.00 C ATOM 126 NZ LYS A 8 -12.074 6.920 -12.382 1.00 0.00 N ATOM 0 H LYS A 8 -14.770 1.467 -14.836 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.213 0.995 -13.690 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.463 2.956 -13.168 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.088 2.878 -12.084 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.538 3.214 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.903 3.265 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.281 5.546 -14.727 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.757 5.298 -13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.422 4.936 -11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.938 5.154 -12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.576 7.177 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.635 7.412 -13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.073 7.200 -12.308 1.00 0.00 H new ATOM 140 N ARG A 9 -12.492 0.091 -11.402 1.00 0.00 N ATOM 141 CA ARG A 9 -12.446 -0.716 -10.169 1.00 0.00 C ATOM 142 C ARG A 9 -11.487 -0.089 -9.142 1.00 0.00 C ATOM 143 O ARG A 9 -10.732 0.826 -9.476 1.00 0.00 O ATOM 144 CB ARG A 9 -12.024 -2.152 -10.547 1.00 0.00 C ATOM 145 CG ARG A 9 -12.733 -3.244 -9.725 1.00 0.00 C ATOM 146 CD ARG A 9 -13.940 -3.888 -10.431 1.00 0.00 C ATOM 147 NE ARG A 9 -14.865 -2.894 -11.004 1.00 0.00 N ATOM 148 CZ ARG A 9 -15.976 -3.130 -11.673 1.00 0.00 C ATOM 149 NH1 ARG A 9 -16.618 -2.128 -12.187 1.00 0.00 N ATOM 150 NH2 ARG A 9 -16.460 -4.326 -11.852 1.00 0.00 N ATOM 0 H ARG A 9 -11.577 0.480 -11.630 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.429 -0.744 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.230 -2.315 -11.605 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.947 -2.251 -10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.012 -4.024 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.067 -2.812 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.583 -4.545 -11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.480 -4.512 -9.719 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.618 -1.914 -10.868 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.261 -1.180 -12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.480 -2.288 -12.709 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.975 -5.136 -11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.324 -4.453 -12.378 1.00 0.00 H new ATOM 164 N MET A 10 -11.509 -0.549 -7.889 1.00 0.00 N ATOM 165 CA MET A 10 -10.737 0.066 -6.798 1.00 0.00 C ATOM 166 C MET A 10 -10.417 -0.917 -5.659 1.00 0.00 C ATOM 167 O MET A 10 -11.270 -1.709 -5.248 1.00 0.00 O ATOM 168 CB MET A 10 -11.523 1.285 -6.283 1.00 0.00 C ATOM 169 CG MET A 10 -10.782 2.109 -5.228 1.00 0.00 C ATOM 170 SD MET A 10 -11.666 3.627 -4.776 1.00 0.00 S ATOM 171 CE MET A 10 -10.497 4.304 -3.572 1.00 0.00 C ATOM 0 H MET A 10 -12.060 -1.357 -7.599 1.00 0.00 H new ATOM 0 HA MET A 10 -9.768 0.376 -7.189 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.765 1.930 -7.127 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.468 0.942 -5.862 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.634 1.500 -4.336 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.793 2.368 -5.605 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.863 5.265 -3.210 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.398 3.615 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.525 4.441 -4.046 1.00 0.00 H new ATOM 181 N PHE A 11 -9.191 -0.848 -5.135 1.00 0.00 N ATOM 182 CA PHE A 11 -8.726 -1.570 -3.946 1.00 0.00 C ATOM 183 C PHE A 11 -9.068 -0.813 -2.651 1.00 0.00 C ATOM 184 O PHE A 11 -9.051 0.422 -2.611 1.00 0.00 O ATOM 185 CB PHE A 11 -7.206 -1.794 -4.032 1.00 0.00 C ATOM 186 CG PHE A 11 -6.747 -2.747 -5.121 1.00 0.00 C ATOM 187 CD1 PHE A 11 -6.227 -2.252 -6.332 1.00 0.00 C ATOM 188 CD2 PHE A 11 -6.805 -4.137 -4.906 1.00 0.00 C ATOM 189 CE1 PHE A 11 -5.773 -3.143 -7.323 1.00 0.00 C ATOM 190 CE2 PHE A 11 -6.348 -5.026 -5.895 1.00 0.00 C ATOM 191 CZ PHE A 11 -5.833 -4.530 -7.105 1.00 0.00 C ATOM 0 H PHE A 11 -8.463 -0.263 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.240 -2.531 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.722 -0.830 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.857 -2.172 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.176 -1.187 -6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.202 -4.522 -3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.378 -2.760 -8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.393 -6.092 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.484 -5.213 -7.865 1.00 0.00 H new ATOM 201 N ALA A 12 -9.281 -1.549 -1.556 1.00 0.00 N ATOM 202 CA ALA A 12 -9.577 -0.991 -0.230 1.00 0.00 C ATOM 203 C ALA A 12 -8.429 -0.142 0.369 1.00 0.00 C ATOM 204 O ALA A 12 -8.654 0.640 1.296 1.00 0.00 O ATOM 205 CB ALA A 12 -9.955 -2.155 0.697 1.00 0.00 C ATOM 0 H ALA A 12 -9.252 -2.569 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.405 -0.290 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.181 -1.770 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.831 -2.667 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.122 -2.855 0.760 1.00 0.00 H new ATOM 211 N ASN A 13 -7.211 -0.252 -0.178 1.00 0.00 N ATOM 212 CA ASN A 13 -6.049 0.571 0.184 1.00 0.00 C ATOM 213 C ASN A 13 -6.065 1.996 -0.430 1.00 0.00 C ATOM 214 O ASN A 13 -5.187 2.804 -0.115 1.00 0.00 O ATOM 215 CB ASN A 13 -4.761 -0.211 -0.153 1.00 0.00 C ATOM 216 CG ASN A 13 -4.489 -0.414 -1.641 1.00 0.00 C ATOM 217 OD1 ASN A 13 -4.963 0.339 -2.489 1.00 0.00 O ATOM 218 ND2 ASN A 13 -3.722 -1.438 -1.971 1.00 0.00 N ATOM 0 H ASN A 13 -7.001 -0.936 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.090 0.756 1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.912 0.314 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.814 -1.189 0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.343 -2.046 -1.245 1.00 0.00 H new ATOM 224 N GLY A 14 -7.038 2.309 -1.299 1.00 0.00 N ATOM 225 CA GLY A 14 -7.176 3.606 -1.979 1.00 0.00 C ATOM 226 C GLY A 14 -6.686 3.648 -3.436 1.00 0.00 C ATOM 227 O GLY A 14 -6.677 4.731 -4.031 1.00 0.00 O ATOM 0 H GLY A 14 -7.771 1.648 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.226 3.896 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.627 4.355 -1.408 1.00 0.00 H new ATOM 231 N THR A 15 -6.288 2.515 -4.030 1.00 0.00 N ATOM 232 CA THR A 15 -5.725 2.456 -5.396 1.00 0.00 C ATOM 233 C THR A 15 -6.808 2.133 -6.431 1.00 0.00 C ATOM 234 O THR A 15 -7.508 1.128 -6.304 1.00 0.00 O ATOM 235 CB THR A 15 -4.581 1.429 -5.493 1.00 0.00 C ATOM 236 OG1 THR A 15 -3.611 1.677 -4.501 1.00 0.00 O ATOM 237 CG2 THR A 15 -3.860 1.460 -6.841 1.00 0.00 C ATOM 0 H THR A 15 -6.346 1.603 -3.577 1.00 0.00 H new ATOM 0 HA THR A 15 -5.319 3.443 -5.615 1.00 0.00 H new ATOM 0 HB THR A 15 -5.052 0.455 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.897 1.273 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.065 0.714 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.570 1.240 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.430 2.449 -7.001 1.00 0.00 H new ATOM 245 N VAL A 16 -6.930 2.951 -7.478 1.00 0.00 N ATOM 246 CA VAL A 16 -7.897 2.781 -8.583 1.00 0.00 C ATOM 247 C VAL A 16 -7.249 2.044 -9.763 1.00 0.00 C ATOM 248 O VAL A 16 -6.072 2.249 -10.061 1.00 0.00 O ATOM 249 CB VAL A 16 -8.475 4.153 -8.990 1.00 0.00 C ATOM 250 CG1 VAL A 16 -9.335 4.113 -10.258 1.00 0.00 C ATOM 251 CG2 VAL A 16 -9.345 4.722 -7.860 1.00 0.00 C ATOM 0 H VAL A 16 -6.344 3.778 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.728 2.161 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.606 4.781 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.705 5.114 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.734 3.756 -11.094 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.179 3.441 -10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.746 5.690 -8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.167 4.037 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.740 4.844 -6.961 1.00 0.00 H new ATOM 261 N TYR A 17 -8.020 1.183 -10.430 1.00 0.00 N ATOM 262 CA TYR A 17 -7.602 0.379 -11.583 1.00 0.00 C ATOM 263 C TYR A 17 -8.768 0.125 -12.561 1.00 0.00 C ATOM 264 O TYR A 17 -9.875 0.636 -12.376 1.00 0.00 O ATOM 265 CB TYR A 17 -6.956 -0.929 -11.081 1.00 0.00 C ATOM 266 CG TYR A 17 -7.864 -1.960 -10.422 1.00 0.00 C ATOM 267 CD1 TYR A 17 -8.194 -1.844 -9.058 1.00 0.00 C ATOM 268 CD2 TYR A 17 -8.284 -3.097 -11.145 1.00 0.00 C ATOM 269 CE1 TYR A 17 -8.876 -2.888 -8.402 1.00 0.00 C ATOM 270 CE2 TYR A 17 -8.988 -4.131 -10.500 1.00 0.00 C ATOM 271 CZ TYR A 17 -9.249 -4.047 -9.115 1.00 0.00 C ATOM 272 OH TYR A 17 -9.861 -5.078 -8.475 1.00 0.00 O ATOM 0 H TYR A 17 -8.993 1.019 -10.172 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.858 0.934 -12.154 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.465 -1.407 -11.929 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.175 -0.665 -10.368 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.923 -0.952 -8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.064 -3.174 -12.200 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.114 -2.801 -7.352 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.328 -4.987 -11.064 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.049 -5.795 -9.116 1.00 0.00 H new ATOM 282 N TYR A 18 -8.522 -0.655 -13.615 1.00 0.00 N ATOM 283 CA TYR A 18 -9.499 -1.039 -14.638 1.00 0.00 C ATOM 284 C TYR A 18 -9.601 -2.566 -14.728 1.00 0.00 C ATOM 285 O TYR A 18 -8.591 -3.271 -14.666 1.00 0.00 O ATOM 286 CB TYR A 18 -9.117 -0.412 -15.988 1.00 0.00 C ATOM 287 CG TYR A 18 -9.016 1.104 -15.956 1.00 0.00 C ATOM 288 CD1 TYR A 18 -7.823 1.720 -15.531 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.124 1.895 -16.318 1.00 0.00 C ATOM 290 CE1 TYR A 18 -7.744 3.123 -15.427 1.00 0.00 C ATOM 291 CE2 TYR A 18 -10.039 3.300 -16.240 1.00 0.00 C ATOM 292 CZ TYR A 18 -8.857 3.916 -15.779 1.00 0.00 C ATOM 293 OH TYR A 18 -8.798 5.270 -15.673 1.00 0.00 O ATOM 0 H TYR A 18 -7.599 -1.053 -13.787 1.00 0.00 H new ATOM 0 HA TYR A 18 -10.483 -0.661 -14.361 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -8.161 -0.823 -16.311 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -9.857 -0.701 -16.734 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.964 1.114 -15.283 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.037 1.426 -16.655 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.835 3.590 -15.079 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -10.882 3.907 -16.534 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.652 5.658 -15.958 1.00 0.00 H new ATOM 303 N PHE A 19 -10.819 -3.082 -14.877 1.00 0.00 N ATOM 304 CA PHE A 19 -11.134 -4.512 -14.884 1.00 0.00 C ATOM 305 C PHE A 19 -12.104 -4.861 -16.019 1.00 0.00 C ATOM 306 O PHE A 19 -13.044 -4.112 -16.295 1.00 0.00 O ATOM 307 CB PHE A 19 -11.679 -4.901 -13.500 1.00 0.00 C ATOM 308 CG PHE A 19 -12.410 -6.232 -13.422 1.00 0.00 C ATOM 309 CD1 PHE A 19 -11.695 -7.416 -13.161 1.00 0.00 C ATOM 310 CD2 PHE A 19 -13.811 -6.285 -13.582 1.00 0.00 C ATOM 311 CE1 PHE A 19 -12.373 -8.644 -13.050 1.00 0.00 C ATOM 312 CE2 PHE A 19 -14.488 -7.510 -13.456 1.00 0.00 C ATOM 313 CZ PHE A 19 -13.770 -8.690 -13.194 1.00 0.00 C ATOM 0 H PHE A 19 -11.645 -2.496 -15.001 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.231 -5.092 -15.077 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.846 -4.925 -12.797 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.357 -4.116 -13.165 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.622 -7.382 -13.045 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -14.363 -5.383 -13.801 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.820 -9.551 -12.854 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.562 -7.545 -13.561 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.292 -9.631 -13.103 1.00 0.00 H new ATOM 323 N ASN A 20 -11.880 -6.000 -16.672 1.00 0.00 N ATOM 324 CA ASN A 20 -12.712 -6.517 -17.751 1.00 0.00 C ATOM 325 C ASN A 20 -13.671 -7.596 -17.227 1.00 0.00 C ATOM 326 O ASN A 20 -13.239 -8.676 -16.824 1.00 0.00 O ATOM 327 CB ASN A 20 -11.803 -7.025 -18.878 1.00 0.00 C ATOM 328 CG ASN A 20 -12.612 -7.392 -20.104 1.00 0.00 C ATOM 329 OD1 ASN A 20 -13.206 -8.458 -20.174 1.00 0.00 O ATOM 330 ND2 ASN A 20 -12.673 -6.538 -21.095 1.00 0.00 N ATOM 0 H ASN A 20 -11.088 -6.606 -16.456 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.341 -5.724 -18.156 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.074 -6.257 -19.136 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.243 -7.894 -18.534 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.217 -6.762 -21.928 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.176 -5.649 -21.034 1.00 0.00 H new ATOM 337 N HIS A 21 -14.980 -7.331 -17.259 1.00 0.00 N ATOM 338 CA HIS A 21 -15.987 -8.217 -16.653 1.00 0.00 C ATOM 339 C HIS A 21 -16.259 -9.495 -17.468 1.00 0.00 C ATOM 340 O HIS A 21 -16.742 -10.489 -16.922 1.00 0.00 O ATOM 341 CB HIS A 21 -17.263 -7.411 -16.349 1.00 0.00 C ATOM 342 CG HIS A 21 -18.273 -7.345 -17.477 1.00 0.00 C ATOM 343 ND1 HIS A 21 -19.229 -8.325 -17.764 1.00 0.00 N ATOM 344 CD2 HIS A 21 -18.412 -6.327 -18.375 1.00 0.00 C ATOM 345 CE1 HIS A 21 -19.922 -7.873 -18.824 1.00 0.00 C ATOM 346 NE2 HIS A 21 -19.451 -6.675 -19.211 1.00 0.00 N ATOM 0 H HIS A 21 -15.374 -6.501 -17.703 1.00 0.00 H new ATOM 0 HA HIS A 21 -15.581 -8.591 -15.713 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -17.748 -7.846 -15.475 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -16.975 -6.394 -16.081 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -17.822 -5.424 -18.422 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -20.740 -8.397 -19.297 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -19.802 -6.119 -19.990 1.00 0.00 H new ATOM 354 N ILE A 22 -15.906 -9.489 -18.758 1.00 0.00 N ATOM 355 CA ILE A 22 -16.135 -10.592 -19.706 1.00 0.00 C ATOM 356 C ILE A 22 -15.021 -11.652 -19.608 1.00 0.00 C ATOM 357 O ILE A 22 -15.291 -12.852 -19.689 1.00 0.00 O ATOM 358 CB ILE A 22 -16.284 -10.019 -21.141 1.00 0.00 C ATOM 359 CG1 ILE A 22 -17.464 -9.018 -21.203 1.00 0.00 C ATOM 360 CG2 ILE A 22 -16.460 -11.142 -22.182 1.00 0.00 C ATOM 361 CD1 ILE A 22 -17.634 -8.296 -22.544 1.00 0.00 C ATOM 0 H ILE A 22 -15.437 -8.691 -19.188 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.063 -11.102 -19.449 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.365 -9.487 -21.387 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.386 -9.553 -20.977 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.328 -8.271 -20.421 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.561 -10.705 -23.175 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.589 -11.797 -22.161 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.354 -11.719 -21.947 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.485 -7.618 -22.487 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.732 -7.727 -22.768 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -17.806 -9.029 -23.332 1.00 0.00 H new ATOM 373 N THR A 23 -13.773 -11.212 -19.406 1.00 0.00 N ATOM 374 CA THR A 23 -12.554 -12.053 -19.423 1.00 0.00 C ATOM 375 C THR A 23 -11.842 -12.159 -18.065 1.00 0.00 C ATOM 376 O THR A 23 -10.865 -12.903 -17.939 1.00 0.00 O ATOM 377 CB THR A 23 -11.558 -11.554 -20.484 1.00 0.00 C ATOM 378 OG1 THR A 23 -11.100 -10.262 -20.157 1.00 0.00 O ATOM 379 CG2 THR A 23 -12.152 -11.490 -21.891 1.00 0.00 C ATOM 0 H THR A 23 -13.570 -10.230 -19.220 1.00 0.00 H new ATOM 0 HA THR A 23 -12.904 -13.055 -19.673 1.00 0.00 H new ATOM 0 HB THR A 23 -10.745 -12.280 -20.485 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.867 -9.662 -20.043 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.396 -11.130 -22.589 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.481 -12.484 -22.193 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.003 -10.810 -21.896 1.00 0.00 H new ATOM 387 N ASN A 24 -12.310 -11.427 -17.046 1.00 0.00 N ATOM 388 CA ASN A 24 -11.724 -11.308 -15.701 1.00 0.00 C ATOM 389 C ASN A 24 -10.285 -10.733 -15.652 1.00 0.00 C ATOM 390 O ASN A 24 -9.603 -10.854 -14.631 1.00 0.00 O ATOM 391 CB ASN A 24 -11.911 -12.618 -14.902 1.00 0.00 C ATOM 392 CG ASN A 24 -13.347 -13.121 -14.901 1.00 0.00 C ATOM 393 OD1 ASN A 24 -13.754 -13.934 -15.720 1.00 0.00 O ATOM 394 ND2 ASN A 24 -14.162 -12.662 -13.977 1.00 0.00 N ATOM 0 H ASN A 24 -13.158 -10.868 -17.142 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.294 -10.531 -15.192 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.264 -13.388 -15.322 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.589 -12.457 -13.873 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.129 -12.984 -13.945 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.827 -11.984 -13.292 1.00 0.00 H new ATOM 401 N ALA A 25 -9.817 -10.094 -16.732 1.00 0.00 N ATOM 402 CA ALA A 25 -8.528 -9.395 -16.784 1.00 0.00 C ATOM 403 C ALA A 25 -8.552 -8.060 -16.006 1.00 0.00 C ATOM 404 O ALA A 25 -9.616 -7.475 -15.794 1.00 0.00 O ATOM 405 CB ALA A 25 -8.145 -9.192 -18.257 1.00 0.00 C ATOM 0 H ALA A 25 -10.334 -10.048 -17.610 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.771 -10.005 -16.291 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.188 -8.673 -18.316 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.063 -10.161 -18.749 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.912 -8.597 -18.754 1.00 0.00 H new ATOM 411 N SER A 26 -7.383 -7.551 -15.604 1.00 0.00 N ATOM 412 CA SER A 26 -7.240 -6.248 -14.932 1.00 0.00 C ATOM 413 C SER A 26 -5.900 -5.566 -15.239 1.00 0.00 C ATOM 414 O SER A 26 -4.887 -6.230 -15.484 1.00 0.00 O ATOM 415 CB SER A 26 -7.432 -6.390 -13.412 1.00 0.00 C ATOM 416 OG SER A 26 -6.462 -7.245 -12.831 1.00 0.00 O ATOM 0 H SER A 26 -6.496 -8.036 -15.736 1.00 0.00 H new ATOM 0 HA SER A 26 -8.025 -5.606 -15.332 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.374 -5.406 -12.946 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.429 -6.781 -13.208 1.00 0.00 H new ATOM 0 HG SER A 26 -6.617 -7.307 -11.865 1.00 0.00 H new ATOM 422 N GLN A 27 -5.894 -4.228 -15.230 1.00 0.00 N ATOM 423 CA GLN A 27 -4.705 -3.387 -15.428 1.00 0.00 C ATOM 424 C GLN A 27 -4.840 -2.027 -14.714 1.00 0.00 C ATOM 425 O GLN A 27 -5.949 -1.548 -14.478 1.00 0.00 O ATOM 426 CB GLN A 27 -4.422 -3.234 -16.935 1.00 0.00 C ATOM 427 CG GLN A 27 -5.441 -2.395 -17.720 1.00 0.00 C ATOM 428 CD GLN A 27 -4.978 -2.183 -19.160 1.00 0.00 C ATOM 429 OE1 GLN A 27 -4.804 -3.112 -19.940 1.00 0.00 O ATOM 430 NE2 GLN A 27 -4.737 -0.957 -19.566 1.00 0.00 N ATOM 0 H GLN A 27 -6.743 -3.682 -15.080 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.847 -3.879 -14.970 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.437 -2.784 -17.057 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.376 -4.228 -17.381 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.410 -2.894 -17.715 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.577 -1.430 -17.232 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.877 -0.172 -18.930 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.410 -0.790 -20.518 1.00 0.00 H new ATOM 439 N PHE A 28 -3.718 -1.393 -14.360 1.00 0.00 N ATOM 440 CA PHE A 28 -3.698 -0.164 -13.559 1.00 0.00 C ATOM 441 C PHE A 28 -3.986 1.114 -14.372 1.00 0.00 C ATOM 442 O PHE A 28 -4.734 1.982 -13.919 1.00 0.00 O ATOM 443 CB PHE A 28 -2.341 -0.103 -12.845 1.00 0.00 C ATOM 444 CG PHE A 28 -2.066 1.215 -12.153 1.00 0.00 C ATOM 445 CD1 PHE A 28 -1.279 2.187 -12.797 1.00 0.00 C ATOM 446 CD2 PHE A 28 -2.626 1.484 -10.892 1.00 0.00 C ATOM 447 CE1 PHE A 28 -1.045 3.427 -12.178 1.00 0.00 C ATOM 448 CE2 PHE A 28 -2.391 2.724 -10.271 1.00 0.00 C ATOM 449 CZ PHE A 28 -1.600 3.694 -10.913 1.00 0.00 C ATOM 0 H PHE A 28 -2.789 -1.721 -14.624 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.512 -0.201 -12.835 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.294 -0.905 -12.108 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.551 -0.291 -13.572 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.854 1.980 -13.768 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.236 0.740 -10.401 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.441 4.173 -12.672 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.818 2.931 -9.301 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.418 4.645 -10.434 1.00 0.00 H new ATOM 459 N GLU A 29 -3.419 1.231 -15.577 1.00 0.00 N ATOM 460 CA GLU A 29 -3.618 2.375 -16.487 1.00 0.00 C ATOM 461 C GLU A 29 -4.823 2.169 -17.425 1.00 0.00 C ATOM 462 O GLU A 29 -5.263 1.037 -17.639 1.00 0.00 O ATOM 463 CB GLU A 29 -2.316 2.670 -17.254 1.00 0.00 C ATOM 464 CG GLU A 29 -1.920 1.574 -18.259 1.00 0.00 C ATOM 465 CD GLU A 29 -0.539 1.831 -18.903 1.00 0.00 C ATOM 466 OE1 GLU A 29 0.213 0.851 -19.139 1.00 0.00 O ATOM 467 OE2 GLU A 29 -0.189 3.001 -19.202 1.00 0.00 O ATOM 0 H GLU A 29 -2.795 0.521 -15.960 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.861 3.252 -15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.426 3.615 -17.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.506 2.801 -16.537 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.907 0.609 -17.752 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.676 1.513 -19.042 1.00 0.00 H new ATOM 474 N ARG A 30 -5.366 3.248 -18.007 1.00 0.00 N ATOM 475 CA ARG A 30 -6.617 3.196 -18.790 1.00 0.00 C ATOM 476 C ARG A 30 -6.485 2.304 -20.046 1.00 0.00 C ATOM 477 O ARG A 30 -5.576 2.546 -20.849 1.00 0.00 O ATOM 478 CB ARG A 30 -7.061 4.623 -19.173 1.00 0.00 C ATOM 479 CG ARG A 30 -8.580 4.711 -19.409 1.00 0.00 C ATOM 480 CD ARG A 30 -8.959 5.612 -20.587 1.00 0.00 C ATOM 481 NE ARG A 30 -8.817 4.898 -21.870 1.00 0.00 N ATOM 482 CZ ARG A 30 -8.885 5.415 -23.081 1.00 0.00 C ATOM 483 NH1 ARG A 30 -9.021 6.693 -23.300 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.820 4.623 -24.107 1.00 0.00 N ATOM 0 H ARG A 30 -4.955 4.180 -17.951 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.382 2.741 -18.161 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.776 5.316 -18.381 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.535 4.936 -20.075 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.972 3.709 -19.586 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.060 5.086 -18.505 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.987 5.955 -20.470 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.325 6.499 -20.589 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.648 3.894 -21.814 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.080 7.342 -22.515 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.069 7.044 -24.256 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.718 3.617 -23.969 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.871 5.006 -25.051 1.00 0.00 H new ATOM 498 N PRO A 31 -7.363 1.304 -20.263 1.00 0.00 N ATOM 499 CA PRO A 31 -7.324 0.444 -21.453 1.00 0.00 C ATOM 500 C PRO A 31 -7.737 1.177 -22.739 1.00 0.00 C ATOM 501 O PRO A 31 -8.528 2.124 -22.706 1.00 0.00 O ATOM 502 CB PRO A 31 -8.254 -0.735 -21.140 1.00 0.00 C ATOM 503 CG PRO A 31 -9.257 -0.125 -20.164 1.00 0.00 C ATOM 504 CD PRO A 31 -8.390 0.826 -19.348 1.00 0.00 C ATOM 0 HA PRO A 31 -6.305 0.112 -21.653 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.742 -1.114 -22.038 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.713 -1.570 -20.695 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.059 0.401 -20.682 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.726 -0.884 -19.538 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.980 1.654 -18.954 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.946 0.316 -18.493 1.00 0.00 H new ATOM 512 N SER A 32 -7.214 0.725 -23.884 1.00 0.00 N ATOM 513 CA SER A 32 -7.489 1.302 -25.216 1.00 0.00 C ATOM 514 C SER A 32 -7.536 0.265 -26.363 1.00 0.00 C ATOM 515 O SER A 32 -7.493 0.637 -27.541 1.00 0.00 O ATOM 516 CB SER A 32 -6.468 2.417 -25.501 1.00 0.00 C ATOM 517 OG SER A 32 -6.870 3.208 -26.607 1.00 0.00 O ATOM 0 H SER A 32 -6.574 -0.068 -23.917 1.00 0.00 H new ATOM 0 HA SER A 32 -8.497 1.716 -25.185 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.359 3.048 -24.619 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.491 1.977 -25.701 1.00 0.00 H new ATOM 0 HG SER A 32 -7.235 2.629 -27.308 1.00 0.00 H new ATOM 523 N GLY A 33 -7.618 -1.035 -26.038 1.00 0.00 N ATOM 524 CA GLY A 33 -7.632 -2.154 -26.999 1.00 0.00 C ATOM 525 C GLY A 33 -6.300 -2.353 -27.734 1.00 0.00 C ATOM 526 O GLY A 33 -6.322 -2.486 -28.979 1.00 0.00 O ATOM 527 OXT GLY A 33 -5.245 -2.401 -27.060 1.00 0.00 O ATOM 0 H GLY A 33 -7.678 -1.348 -25.069 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.885 -3.073 -26.470 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.419 -1.981 -27.733 1.00 0.00 H new TER 531 GLY A 33 HETATM 532 C1 4N2 A 101 -3.187 -1.640 -3.301 1.00 0.00 C HETATM 533 C2 4N2 A 101 -3.162 -3.138 -3.757 1.00 0.00 C HETATM 534 C3 4N2 A 101 -2.335 -3.275 -5.065 1.00 0.00 C HETATM 535 C4 4N2 A 101 -0.925 -2.638 -4.933 1.00 0.00 C HETATM 536 C5 4N2 A 101 -1.037 -1.159 -4.469 1.00 0.00 C HETATM 537 C6 4N2 A 101 0.311 -0.414 -4.311 1.00 0.00 C HETATM 538 O2 4N2 A 101 -2.603 -4.029 -2.733 1.00 0.00 O HETATM 539 O3 4N2 A 101 -3.030 -2.623 -6.169 1.00 0.00 O HETATM 540 O4 4N2 A 101 -0.137 -3.422 -3.983 1.00 0.00 O HETATM 541 O5 4N2 A 101 -1.830 -1.082 -3.206 1.00 0.00 O HETATM 542 O6 4N2 A 101 1.231 -1.107 -3.426 1.00 0.00 O