USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 692 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 55 THR OG1 : rot -160:sc= 0.0801 USER MOD Set 1.2: A 58 THR OG1 : rot 170:sc= -0.0155 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0442 (180deg=-0.835) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.68) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00268 K(o=-0.0027,f=-1.9) USER MOD Single : A 16 SER OG : rot 180:sc= -0.24 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 22 SER OG : rot 180:sc= -0.155 USER MOD Single : A 24 TYR OH : rot 118:sc= -0.237 USER MOD Single : A 27 CYS SG : rot 52:sc= -1.07 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc=-0.00282 (180deg=-0.104) USER MOD Single : A 35 SER OG : rot 180:sc= -1.7 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 1.1 (180deg=0.978) USER MOD Single : A 40 MET CE :methyl -137:sc= 0 (180deg=-0.716) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.97! C(o=-4!,f=-12!) USER MOD Single : A 50 TYR OH : rot 9:sc= -2.78 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.0799 (180deg=-0.522) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc=-0.00599 (180deg=-0.353) USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc=-0.00826 X(o=-0.0083,f=-0.23) USER MOD Single : A 65 SER OG : rot -60:sc= 0.676 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-0.56) USER MOD Single : A 69 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ -113:sc= -0.0262 (180deg=-1.83!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.495 11.089 8.229 1.00 0.00 N ATOM 2 CA MET A 1 18.100 10.862 7.769 1.00 0.00 C ATOM 3 C MET A 1 17.754 9.377 7.769 1.00 0.00 C ATOM 4 O MET A 1 16.943 8.918 8.574 1.00 0.00 O ATOM 5 CB MET A 1 17.952 11.439 6.359 1.00 0.00 C ATOM 6 CG MET A 1 16.555 11.280 5.781 1.00 0.00 C ATOM 7 SD MET A 1 16.571 10.918 4.015 1.00 0.00 S ATOM 8 CE MET A 1 17.767 12.119 3.434 1.00 0.00 C ATOM 0 H1 MET A 1 19.702 12.108 8.219 1.00 0.00 H new ATOM 0 H2 MET A 1 19.606 10.723 9.196 1.00 0.00 H new ATOM 0 H3 MET A 1 20.155 10.595 7.594 1.00 0.00 H new ATOM 0 HA MET A 1 17.412 11.359 8.453 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.209 12.498 6.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.668 10.950 5.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.037 10.478 6.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.988 12.194 5.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.579 12.340 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.677 13.034 4.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.773 11.714 3.546 1.00 0.00 H new ATOM 20 N ASP A 2 18.372 8.630 6.860 1.00 0.00 N ATOM 21 CA ASP A 2 18.136 7.204 6.750 1.00 0.00 C ATOM 22 C ASP A 2 18.541 6.481 8.031 1.00 0.00 C ATOM 23 O ASP A 2 19.695 6.083 8.192 1.00 0.00 O ATOM 24 CB ASP A 2 18.915 6.645 5.562 1.00 0.00 C ATOM 25 CG ASP A 2 20.353 7.128 5.527 1.00 0.00 C ATOM 26 OD1 ASP A 2 21.192 6.548 6.247 1.00 0.00 O ATOM 27 OD2 ASP A 2 20.638 8.088 4.780 1.00 0.00 O ATOM 0 H ASP A 2 19.044 8.997 6.186 1.00 0.00 H new ATOM 0 HA ASP A 2 17.070 7.041 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.902 5.556 5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 2 18.416 6.934 4.637 1.00 0.00 H new ATOM 32 N ASN A 3 17.585 6.314 8.939 1.00 0.00 N ATOM 33 CA ASN A 3 17.834 5.643 10.201 1.00 0.00 C ATOM 34 C ASN A 3 18.285 4.200 9.982 1.00 0.00 C ATOM 35 O ASN A 3 18.883 3.587 10.865 1.00 0.00 O ATOM 36 CB ASN A 3 16.570 5.674 11.056 1.00 0.00 C ATOM 37 CG ASN A 3 15.328 5.285 10.277 1.00 0.00 C ATOM 38 OD1 ASN A 3 14.529 6.139 9.891 1.00 0.00 O ATOM 39 ND2 ASN A 3 15.159 3.989 10.042 1.00 0.00 N ATOM 0 H ASN A 3 16.625 6.638 8.819 1.00 0.00 H new ATOM 0 HA ASN A 3 18.637 6.169 10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 3 16.691 4.996 11.901 1.00 0.00 H new ATOM 0 HB3 ASN A 3 16.438 6.675 11.466 1.00 0.00 H new ATOM 0 HD21 ASN A 3 14.342 3.667 9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.846 3.315 10.380 1.00 0.00 H new ATOM 46 N ASP A 4 17.994 3.666 8.801 1.00 0.00 N ATOM 47 CA ASP A 4 18.370 2.297 8.467 1.00 0.00 C ATOM 48 C ASP A 4 19.881 2.101 8.552 1.00 0.00 C ATOM 49 O ASP A 4 20.364 0.977 8.685 1.00 0.00 O ATOM 50 CB ASP A 4 17.872 1.937 7.069 1.00 0.00 C ATOM 51 CG ASP A 4 16.881 0.789 7.083 1.00 0.00 C ATOM 52 OD1 ASP A 4 17.293 -0.346 7.404 1.00 0.00 O ATOM 53 OD2 ASP A 4 15.694 1.025 6.774 1.00 0.00 O ATOM 0 H ASP A 4 17.499 4.160 8.059 1.00 0.00 H new ATOM 0 HA ASP A 4 17.901 1.634 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.404 2.811 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.722 1.671 6.441 1.00 0.00 H new ATOM 58 N ALA A 5 20.623 3.201 8.472 1.00 0.00 N ATOM 59 CA ALA A 5 22.078 3.147 8.538 1.00 0.00 C ATOM 60 C ALA A 5 22.551 2.527 9.848 1.00 0.00 C ATOM 61 O ALA A 5 23.644 1.967 9.922 1.00 0.00 O ATOM 62 CB ALA A 5 22.666 4.540 8.368 1.00 0.00 C ATOM 0 H ALA A 5 20.240 4.140 8.361 1.00 0.00 H new ATOM 0 HA ALA A 5 22.428 2.513 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.753 4.485 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 5 22.369 4.945 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 5 22.298 5.190 9.162 1.00 0.00 H new ATOM 68 N GLU A 6 21.721 2.633 10.877 1.00 0.00 N ATOM 69 CA GLU A 6 22.050 2.085 12.184 1.00 0.00 C ATOM 70 C GLU A 6 21.372 0.746 12.411 1.00 0.00 C ATOM 71 O GLU A 6 21.241 0.276 13.542 1.00 0.00 O ATOM 72 CB GLU A 6 21.637 3.056 13.276 1.00 0.00 C ATOM 73 CG GLU A 6 22.662 4.145 13.550 1.00 0.00 C ATOM 74 CD GLU A 6 22.065 5.340 14.266 1.00 0.00 C ATOM 75 OE1 GLU A 6 21.272 6.074 13.639 1.00 0.00 O ATOM 76 OE2 GLU A 6 22.389 5.543 15.455 1.00 0.00 O ATOM 0 H GLU A 6 20.813 3.095 10.831 1.00 0.00 H new ATOM 0 HA GLU A 6 23.129 1.932 12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 6 20.692 3.522 12.996 1.00 0.00 H new ATOM 0 HB3 GLU A 6 21.458 2.499 14.196 1.00 0.00 H new ATOM 0 HG2 GLU A 6 23.472 3.733 14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 6 23.100 4.472 12.607 1.00 0.00 H new ATOM 83 N GLY A 7 20.950 0.149 11.323 1.00 0.00 N ATOM 84 CA GLY A 7 20.282 -1.140 11.373 1.00 0.00 C ATOM 85 C GLY A 7 19.118 -1.161 12.347 1.00 0.00 C ATOM 86 O GLY A 7 18.736 -2.221 12.843 1.00 0.00 O ATOM 0 H GLY A 7 21.056 0.533 10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.921 -1.396 10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.002 -1.907 11.658 1.00 0.00 H new ATOM 90 N VAL A 8 18.555 0.011 12.624 1.00 0.00 N ATOM 91 CA VAL A 8 17.433 0.120 13.544 1.00 0.00 C ATOM 92 C VAL A 8 16.148 -0.409 12.916 1.00 0.00 C ATOM 93 O VAL A 8 15.244 -0.867 13.615 1.00 0.00 O ATOM 94 CB VAL A 8 17.216 1.578 13.997 1.00 0.00 C ATOM 95 CG1 VAL A 8 16.883 2.467 12.808 1.00 0.00 C ATOM 96 CG2 VAL A 8 16.122 1.654 15.053 1.00 0.00 C ATOM 0 H VAL A 8 18.859 0.898 12.223 1.00 0.00 H new ATOM 0 HA VAL A 8 17.679 -0.488 14.415 1.00 0.00 H new ATOM 0 HB VAL A 8 18.143 1.940 14.441 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.734 3.491 13.150 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.704 2.440 12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.972 2.108 12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.984 2.691 15.360 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.189 1.271 14.639 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.408 1.055 15.917 1.00 0.00 H new ATOM 106 N TRP A 9 16.077 -0.339 11.594 1.00 0.00 N ATOM 107 CA TRP A 9 14.907 -0.806 10.864 1.00 0.00 C ATOM 108 C TRP A 9 14.841 -2.330 10.851 1.00 0.00 C ATOM 109 O TRP A 9 15.805 -3.006 11.211 1.00 0.00 O ATOM 110 CB TRP A 9 14.926 -0.268 9.435 1.00 0.00 C ATOM 111 CG TRP A 9 13.757 0.614 9.116 1.00 0.00 C ATOM 112 CD1 TRP A 9 13.065 0.664 7.941 1.00 0.00 C ATOM 113 CD2 TRP A 9 13.145 1.574 9.985 1.00 0.00 C ATOM 114 NE1 TRP A 9 12.059 1.596 8.025 1.00 0.00 N ATOM 115 CE2 TRP A 9 12.088 2.168 9.271 1.00 0.00 C ATOM 116 CE3 TRP A 9 13.387 1.988 11.298 1.00 0.00 C ATOM 117 CZ2 TRP A 9 11.275 3.154 9.825 1.00 0.00 C ATOM 118 CZ3 TRP A 9 12.580 2.966 11.848 1.00 0.00 C ATOM 119 CH2 TRP A 9 11.535 3.539 11.112 1.00 0.00 C ATOM 0 H TRP A 9 16.818 0.038 11.004 1.00 0.00 H new ATOM 0 HA TRP A 9 14.019 -0.431 11.373 1.00 0.00 H new ATOM 0 HB2 TRP A 9 15.848 0.292 9.278 1.00 0.00 H new ATOM 0 HB3 TRP A 9 14.940 -1.107 8.739 1.00 0.00 H new ATOM 0 HD1 TRP A 9 13.277 0.059 7.072 1.00 0.00 H new ATOM 0 HE1 TRP A 9 11.399 1.825 7.282 1.00 0.00 H new ATOM 0 HE3 TRP A 9 14.190 1.551 11.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 10.469 3.598 9.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 12.758 3.294 12.862 1.00 0.00 H new ATOM 0 HH2 TRP A 9 10.922 4.301 11.570 1.00 0.00 H new ATOM 130 N SER A 10 13.699 -2.863 10.431 1.00 0.00 N ATOM 131 CA SER A 10 13.505 -4.300 10.365 1.00 0.00 C ATOM 132 C SER A 10 12.818 -4.698 9.061 1.00 0.00 C ATOM 133 O SER A 10 12.017 -3.939 8.516 1.00 0.00 O ATOM 134 CB SER A 10 12.681 -4.783 11.561 1.00 0.00 C ATOM 135 OG SER A 10 13.516 -5.098 12.662 1.00 0.00 O ATOM 0 H SER A 10 12.892 -2.316 10.131 1.00 0.00 H new ATOM 0 HA SER A 10 14.486 -4.775 10.396 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.968 -4.011 11.851 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.102 -5.662 11.277 1.00 0.00 H new ATOM 0 HG SER A 10 12.966 -5.402 13.414 1.00 0.00 H new ATOM 141 N PRO A 11 13.124 -5.899 8.541 1.00 0.00 N ATOM 142 CA PRO A 11 12.532 -6.394 7.294 1.00 0.00 C ATOM 143 C PRO A 11 11.031 -6.636 7.414 1.00 0.00 C ATOM 144 O PRO A 11 10.328 -6.743 6.410 1.00 0.00 O ATOM 145 CB PRO A 11 13.268 -7.710 7.040 1.00 0.00 C ATOM 146 CG PRO A 11 13.757 -8.133 8.379 1.00 0.00 C ATOM 147 CD PRO A 11 14.067 -6.868 9.124 1.00 0.00 C ATOM 0 HA PRO A 11 12.637 -5.671 6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.604 -8.458 6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.094 -7.574 6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.002 -8.719 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.644 -8.761 8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.914 -6.984 10.197 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.103 -6.559 8.981 1.00 0.00 H new ATOM 155 N ASP A 12 10.546 -6.717 8.647 1.00 0.00 N ATOM 156 CA ASP A 12 9.128 -6.942 8.895 1.00 0.00 C ATOM 157 C ASP A 12 8.290 -5.787 8.362 1.00 0.00 C ATOM 158 O ASP A 12 7.104 -5.946 8.074 1.00 0.00 O ATOM 159 CB ASP A 12 8.873 -7.129 10.389 1.00 0.00 C ATOM 160 CG ASP A 12 8.422 -8.536 10.729 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.294 -9.392 10.987 1.00 0.00 O ATOM 162 OD2 ASP A 12 7.197 -8.781 10.738 1.00 0.00 O ATOM 0 H ASP A 12 11.114 -6.630 9.490 1.00 0.00 H new ATOM 0 HA ASP A 12 8.834 -7.850 8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.784 -6.899 10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.114 -6.418 10.717 1.00 0.00 H new ATOM 167 N ILE A 13 8.917 -4.625 8.230 1.00 0.00 N ATOM 168 CA ILE A 13 8.234 -3.445 7.726 1.00 0.00 C ATOM 169 C ILE A 13 7.977 -3.573 6.238 1.00 0.00 C ATOM 170 O ILE A 13 6.837 -3.495 5.779 1.00 0.00 O ATOM 171 CB ILE A 13 9.030 -2.163 7.994 1.00 0.00 C ATOM 172 CG1 ILE A 13 9.574 -2.153 9.425 1.00 0.00 C ATOM 173 CG2 ILE A 13 8.165 -0.938 7.740 1.00 0.00 C ATOM 174 CD1 ILE A 13 8.501 -2.316 10.481 1.00 0.00 C ATOM 0 H ILE A 13 9.898 -4.476 8.466 1.00 0.00 H new ATOM 0 HA ILE A 13 7.286 -3.376 8.259 1.00 0.00 H new ATOM 0 HB ILE A 13 9.877 -2.135 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.304 -2.955 9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.103 -1.216 9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.745 -0.036 7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.831 -0.937 6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.298 -0.961 8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.959 -2.300 11.470 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.783 -1.500 10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.988 -3.266 10.334 1.00 0.00 H new ATOM 186 N GLU A 14 9.045 -3.789 5.495 1.00 0.00 N ATOM 187 CA GLU A 14 8.947 -3.954 4.055 1.00 0.00 C ATOM 188 C GLU A 14 8.160 -5.215 3.726 1.00 0.00 C ATOM 189 O GLU A 14 7.570 -5.332 2.652 1.00 0.00 O ATOM 190 CB GLU A 14 10.340 -4.020 3.425 1.00 0.00 C ATOM 191 CG GLU A 14 10.412 -3.392 2.042 1.00 0.00 C ATOM 192 CD GLU A 14 11.743 -3.640 1.359 1.00 0.00 C ATOM 193 OE1 GLU A 14 12.728 -2.957 1.711 1.00 0.00 O ATOM 194 OE2 GLU A 14 11.800 -4.517 0.472 1.00 0.00 O ATOM 0 H GLU A 14 9.993 -3.855 5.864 1.00 0.00 H new ATOM 0 HA GLU A 14 8.423 -3.092 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.051 -3.517 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.651 -5.063 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.609 -3.793 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.245 -2.318 2.125 1.00 0.00 H new ATOM 201 N GLN A 15 8.148 -6.152 4.669 1.00 0.00 N ATOM 202 CA GLN A 15 7.429 -7.397 4.497 1.00 0.00 C ATOM 203 C GLN A 15 5.948 -7.194 4.744 1.00 0.00 C ATOM 204 O GLN A 15 5.102 -7.696 4.004 1.00 0.00 O ATOM 205 CB GLN A 15 7.982 -8.454 5.430 1.00 0.00 C ATOM 206 CG GLN A 15 9.007 -9.342 4.761 1.00 0.00 C ATOM 207 CD GLN A 15 8.376 -10.441 3.929 1.00 0.00 C ATOM 208 OE1 GLN A 15 7.281 -10.278 3.391 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.066 -11.570 3.819 1.00 0.00 N ATOM 0 H GLN A 15 8.633 -6.066 5.562 1.00 0.00 H new ATOM 0 HA GLN A 15 7.561 -7.736 3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.436 -7.969 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.163 -9.068 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.649 -8.733 4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.646 -9.790 5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.970 -11.662 4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.692 -12.345 3.272 1.00 0.00 H new ATOM 218 N SER A 16 5.648 -6.435 5.784 1.00 0.00 N ATOM 219 CA SER A 16 4.271 -6.133 6.135 1.00 0.00 C ATOM 220 C SER A 16 3.647 -5.231 5.079 1.00 0.00 C ATOM 221 O SER A 16 2.428 -5.198 4.914 1.00 0.00 O ATOM 222 CB SER A 16 4.203 -5.463 7.508 1.00 0.00 C ATOM 223 OG SER A 16 2.874 -5.441 8.000 1.00 0.00 O ATOM 0 H SER A 16 6.342 -6.015 6.402 1.00 0.00 H new ATOM 0 HA SER A 16 3.711 -7.067 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.845 -5.997 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.585 -4.445 7.438 1.00 0.00 H new ATOM 0 HG SER A 16 2.858 -5.009 8.879 1.00 0.00 H new ATOM 229 N PHE A 17 4.498 -4.503 4.361 1.00 0.00 N ATOM 230 CA PHE A 17 4.041 -3.602 3.318 1.00 0.00 C ATOM 231 C PHE A 17 3.549 -4.379 2.109 1.00 0.00 C ATOM 232 O PHE A 17 2.572 -3.996 1.466 1.00 0.00 O ATOM 233 CB PHE A 17 5.160 -2.645 2.915 1.00 0.00 C ATOM 234 CG PHE A 17 4.944 -1.237 3.390 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.525 -0.986 4.687 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.160 -0.164 2.540 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.326 0.307 5.127 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.962 1.133 2.975 1.00 0.00 C ATOM 239 CZ PHE A 17 4.545 1.368 4.271 1.00 0.00 C ATOM 0 H PHE A 17 5.510 -4.523 4.486 1.00 0.00 H new ATOM 0 HA PHE A 17 3.207 -3.020 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.104 -3.014 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.252 -2.643 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.352 -1.812 5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.487 -0.343 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.999 0.489 6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.133 1.961 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.391 2.380 4.614 1.00 0.00 H new ATOM 249 N GLN A 18 4.223 -5.480 1.813 1.00 0.00 N ATOM 250 CA GLN A 18 3.839 -6.315 0.685 1.00 0.00 C ATOM 251 C GLN A 18 2.486 -6.959 0.942 1.00 0.00 C ATOM 252 O GLN A 18 1.747 -7.273 0.011 1.00 0.00 O ATOM 253 CB GLN A 18 4.888 -7.397 0.419 1.00 0.00 C ATOM 254 CG GLN A 18 4.414 -8.470 -0.552 1.00 0.00 C ATOM 255 CD GLN A 18 5.554 -9.299 -1.111 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.576 -9.494 -0.453 1.00 0.00 O ATOM 257 NE2 GLN A 18 5.384 -9.792 -2.332 1.00 0.00 N ATOM 0 H GLN A 18 5.033 -5.815 2.334 1.00 0.00 H new ATOM 0 HA GLN A 18 3.771 -5.678 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.789 -6.930 0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.163 -7.867 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.708 -9.127 -0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.876 -7.998 -1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.520 -9.605 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.117 -10.357 -2.760 1.00 0.00 H new ATOM 266 N GLU A 19 2.169 -7.155 2.214 1.00 0.00 N ATOM 267 CA GLU A 19 0.907 -7.762 2.595 1.00 0.00 C ATOM 268 C GLU A 19 -0.254 -6.858 2.223 1.00 0.00 C ATOM 269 O GLU A 19 -1.293 -7.323 1.761 1.00 0.00 O ATOM 270 CB GLU A 19 0.889 -8.069 4.091 1.00 0.00 C ATOM 271 CG GLU A 19 0.699 -9.544 4.407 1.00 0.00 C ATOM 272 CD GLU A 19 1.945 -10.363 4.135 1.00 0.00 C ATOM 273 OE1 GLU A 19 2.784 -10.490 5.052 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.083 -10.878 3.005 1.00 0.00 O ATOM 0 H GLU A 19 2.770 -6.902 2.998 1.00 0.00 H new ATOM 0 HA GLU A 19 0.800 -8.700 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.825 -7.728 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.087 -7.499 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.418 -9.654 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.126 -9.936 3.812 1.00 0.00 H new ATOM 281 N ALA A 20 -0.063 -5.565 2.418 1.00 0.00 N ATOM 282 CA ALA A 20 -1.090 -4.592 2.092 1.00 0.00 C ATOM 283 C ALA A 20 -1.131 -4.340 0.594 1.00 0.00 C ATOM 284 O ALA A 20 -2.189 -4.080 0.021 1.00 0.00 O ATOM 285 CB ALA A 20 -0.859 -3.293 2.850 1.00 0.00 C ATOM 0 H ALA A 20 0.794 -5.165 2.800 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.055 -4.997 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.639 -2.577 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.886 -3.488 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.114 -2.882 2.580 1.00 0.00 H new ATOM 291 N LEU A 21 0.030 -4.433 -0.034 1.00 0.00 N ATOM 292 CA LEU A 21 0.141 -4.231 -1.467 1.00 0.00 C ATOM 293 C LEU A 21 -0.276 -5.488 -2.219 1.00 0.00 C ATOM 294 O LEU A 21 -0.726 -5.421 -3.363 1.00 0.00 O ATOM 295 CB LEU A 21 1.567 -3.833 -1.843 1.00 0.00 C ATOM 296 CG LEU A 21 1.712 -2.432 -2.439 1.00 0.00 C ATOM 297 CD1 LEU A 21 0.843 -2.286 -3.678 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.352 -1.375 -1.405 1.00 0.00 C ATOM 0 H LEU A 21 0.912 -4.648 0.430 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.530 -3.421 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.193 -3.899 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.953 -4.558 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 21 2.752 -2.287 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.959 -1.283 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.147 -3.020 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.201 -2.450 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.460 -0.384 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.321 -1.518 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.017 -1.465 -0.546 1.00 0.00 H new ATOM 310 N SER A 22 -0.130 -6.634 -1.564 1.00 0.00 N ATOM 311 CA SER A 22 -0.495 -7.906 -2.161 1.00 0.00 C ATOM 312 C SER A 22 -1.985 -8.162 -1.997 1.00 0.00 C ATOM 313 O SER A 22 -2.619 -8.789 -2.845 1.00 0.00 O ATOM 314 CB SER A 22 0.308 -9.044 -1.530 1.00 0.00 C ATOM 315 OG SER A 22 1.652 -9.031 -1.978 1.00 0.00 O ATOM 0 H SER A 22 0.240 -6.705 -0.616 1.00 0.00 H new ATOM 0 HA SER A 22 -0.263 -7.864 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.283 -8.952 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.152 -10.000 -1.780 1.00 0.00 H new ATOM 0 HG SER A 22 2.144 -9.767 -1.558 1.00 0.00 H new ATOM 321 N ILE A 23 -2.536 -7.670 -0.896 1.00 0.00 N ATOM 322 CA ILE A 23 -3.952 -7.838 -0.610 1.00 0.00 C ATOM 323 C ILE A 23 -4.784 -6.721 -1.241 1.00 0.00 C ATOM 324 O ILE A 23 -5.989 -6.873 -1.443 1.00 0.00 O ATOM 325 CB ILE A 23 -4.213 -7.909 0.912 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.387 -9.364 1.351 1.00 0.00 C ATOM 327 CG2 ILE A 23 -5.427 -7.083 1.317 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.078 -10.094 1.559 1.00 0.00 C ATOM 0 H ILE A 23 -2.021 -7.150 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.260 -8.785 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.345 -7.485 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.959 -9.389 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.974 -9.894 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.576 -7.159 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.264 -6.040 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.311 -7.458 0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.279 -11.120 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.513 -10.101 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.498 -9.588 2.331 1.00 0.00 H new ATOM 340 N TYR A 24 -4.137 -5.600 -1.549 1.00 0.00 N ATOM 341 CA TYR A 24 -4.819 -4.467 -2.151 1.00 0.00 C ATOM 342 C TYR A 24 -4.219 -4.118 -3.512 1.00 0.00 C ATOM 343 O TYR A 24 -3.411 -3.198 -3.625 1.00 0.00 O ATOM 344 CB TYR A 24 -4.759 -3.260 -1.228 1.00 0.00 C ATOM 345 CG TYR A 24 -5.294 -3.528 0.160 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.545 -4.103 0.344 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.545 -3.210 1.285 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.035 -4.352 1.613 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.027 -3.457 2.556 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.272 -4.028 2.714 1.00 0.00 C ATOM 351 OH TYR A 24 -6.755 -4.276 3.979 1.00 0.00 O ATOM 0 H TYR A 24 -3.140 -5.456 -1.390 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.861 -4.747 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.725 -2.924 -1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.326 -2.444 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.144 -4.360 -0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.570 -2.762 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.010 -4.798 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.432 -3.204 3.421 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.170 -4.918 4.433 1.00 0.00 H new ATOM 361 N PRO A 25 -4.612 -4.854 -4.567 1.00 0.00 N ATOM 362 CA PRO A 25 -4.123 -4.632 -5.918 1.00 0.00 C ATOM 363 C PRO A 25 -4.962 -3.605 -6.677 1.00 0.00 C ATOM 364 O PRO A 25 -6.119 -3.865 -7.010 1.00 0.00 O ATOM 365 CB PRO A 25 -4.249 -6.014 -6.573 1.00 0.00 C ATOM 366 CG PRO A 25 -5.096 -6.849 -5.657 1.00 0.00 C ATOM 367 CD PRO A 25 -5.563 -5.964 -4.533 1.00 0.00 C ATOM 0 HA PRO A 25 -3.109 -4.232 -5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.707 -5.935 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.268 -6.467 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.948 -7.264 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.523 -7.691 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.587 -5.623 -4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.542 -6.484 -3.575 1.00 0.00 H new ATOM 375 N PRO A 26 -4.393 -2.420 -6.964 1.00 0.00 N ATOM 376 CA PRO A 26 -5.101 -1.360 -7.688 1.00 0.00 C ATOM 377 C PRO A 26 -5.334 -1.712 -9.154 1.00 0.00 C ATOM 378 O PRO A 26 -6.126 -1.065 -9.839 1.00 0.00 O ATOM 379 CB PRO A 26 -4.177 -0.143 -7.572 1.00 0.00 C ATOM 380 CG PRO A 26 -3.117 -0.520 -6.589 1.00 0.00 C ATOM 381 CD PRO A 26 -3.026 -2.017 -6.614 1.00 0.00 C ATOM 0 HA PRO A 26 -6.094 -1.190 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.740 0.108 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.728 0.734 -7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.162 -0.069 -6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.369 -0.163 -5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.301 -2.366 -7.349 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.720 -2.420 -5.648 1.00 0.00 H new ATOM 389 N CYS A 27 -4.640 -2.740 -9.631 1.00 0.00 N ATOM 390 CA CYS A 27 -4.766 -3.178 -11.007 1.00 0.00 C ATOM 391 C CYS A 27 -6.188 -3.644 -11.307 1.00 0.00 C ATOM 392 O CYS A 27 -6.507 -4.824 -11.165 1.00 0.00 O ATOM 393 CB CYS A 27 -3.776 -4.307 -11.274 1.00 0.00 C ATOM 394 SG CYS A 27 -3.835 -5.648 -10.062 1.00 0.00 S ATOM 0 H CYS A 27 -3.981 -3.286 -9.076 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.544 -2.335 -11.662 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.970 -4.719 -12.264 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.768 -3.894 -11.293 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.061 -6.062 -9.932 1.00 0.00 H new ATOM 400 N GLY A 28 -7.037 -2.709 -11.722 1.00 0.00 N ATOM 401 CA GLY A 28 -8.413 -3.045 -12.036 1.00 0.00 C ATOM 402 C GLY A 28 -9.349 -2.819 -10.865 1.00 0.00 C ATOM 403 O GLY A 28 -10.459 -2.315 -11.038 1.00 0.00 O ATOM 0 H GLY A 28 -6.797 -1.726 -11.846 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.745 -2.445 -12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.467 -4.089 -12.344 1.00 0.00 H new ATOM 407 N ARG A 29 -8.902 -3.193 -9.671 1.00 0.00 N ATOM 408 CA ARG A 29 -9.708 -3.029 -8.466 1.00 0.00 C ATOM 409 C ARG A 29 -10.070 -1.563 -8.248 1.00 0.00 C ATOM 410 O ARG A 29 -9.270 -0.787 -7.726 1.00 0.00 O ATOM 411 CB ARG A 29 -8.957 -3.568 -7.248 1.00 0.00 C ATOM 412 CG ARG A 29 -9.862 -4.208 -6.209 1.00 0.00 C ATOM 413 CD ARG A 29 -9.177 -5.376 -5.516 1.00 0.00 C ATOM 414 NE ARG A 29 -10.101 -6.477 -5.257 1.00 0.00 N ATOM 415 CZ ARG A 29 -9.714 -7.723 -4.991 1.00 0.00 C ATOM 416 NH1 ARG A 29 -8.423 -8.029 -4.950 1.00 0.00 N ATOM 417 NH2 ARG A 29 -10.619 -8.665 -4.767 1.00 0.00 N ATOM 0 H ARG A 29 -7.986 -3.612 -9.511 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.630 -3.596 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.223 -4.302 -7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.404 -2.752 -6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.151 -3.463 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.778 -4.554 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.353 -5.732 -6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.745 -5.036 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.101 -6.280 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.722 -7.308 -5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.132 -8.985 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.612 -8.436 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.322 -9.619 -4.563 1.00 0.00 H new ATOM 431 N ARG A 30 -11.282 -1.193 -8.649 1.00 0.00 N ATOM 432 CA ARG A 30 -11.752 0.173 -8.496 1.00 0.00 C ATOM 433 C ARG A 30 -13.225 0.203 -8.101 1.00 0.00 C ATOM 434 O ARG A 30 -14.108 0.235 -8.959 1.00 0.00 O ATOM 435 CB ARG A 30 -11.540 0.959 -9.792 1.00 0.00 C ATOM 436 CG ARG A 30 -11.200 2.423 -9.566 1.00 0.00 C ATOM 437 CD ARG A 30 -9.749 2.601 -9.150 1.00 0.00 C ATOM 438 NE ARG A 30 -9.580 2.517 -7.702 1.00 0.00 N ATOM 439 CZ ARG A 30 -9.885 3.504 -6.862 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.375 4.648 -7.321 1.00 0.00 N ATOM 441 NH2 ARG A 30 -9.700 3.345 -5.558 1.00 0.00 N ATOM 0 H ARG A 30 -11.956 -1.824 -9.083 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.173 0.641 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.738 0.492 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.443 0.894 -10.399 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.389 2.987 -10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.853 2.835 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.138 1.837 -9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.387 3.567 -9.502 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.207 1.652 -7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.520 4.775 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.607 5.400 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.324 2.467 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.933 4.101 -4.914 1.00 0.00 H new ATOM 455 N LYS A 31 -13.483 0.197 -6.798 1.00 0.00 N ATOM 456 CA LYS A 31 -14.843 0.226 -6.287 1.00 0.00 C ATOM 457 C LYS A 31 -14.900 0.920 -4.930 1.00 0.00 C ATOM 458 O LYS A 31 -14.196 0.538 -3.997 1.00 0.00 O ATOM 459 CB LYS A 31 -15.403 -1.193 -6.174 1.00 0.00 C ATOM 460 CG LYS A 31 -15.893 -1.761 -7.497 1.00 0.00 C ATOM 461 CD LYS A 31 -14.855 -2.673 -8.131 1.00 0.00 C ATOM 462 CE LYS A 31 -14.814 -4.030 -7.447 1.00 0.00 C ATOM 463 NZ LYS A 31 -16.003 -4.859 -7.787 1.00 0.00 N ATOM 0 H LYS A 31 -12.763 0.172 -6.076 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.455 0.792 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.631 -1.848 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.227 -1.194 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.817 -2.317 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.127 -0.945 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.082 -2.804 -9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.873 -2.205 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.907 -4.558 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.765 -3.891 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.838 -5.841 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.840 -4.484 -7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.163 -4.832 -8.814 1.00 0.00 H new ATOM 477 N ILE A 32 -15.742 1.944 -4.829 1.00 0.00 N ATOM 478 CA ILE A 32 -15.889 2.690 -3.590 1.00 0.00 C ATOM 479 C ILE A 32 -17.165 3.529 -3.596 1.00 0.00 C ATOM 480 O ILE A 32 -17.304 4.461 -4.388 1.00 0.00 O ATOM 481 CB ILE A 32 -14.675 3.606 -3.345 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.766 4.257 -1.963 1.00 0.00 C ATOM 483 CG2 ILE A 32 -14.576 4.667 -4.432 1.00 0.00 C ATOM 484 CD1 ILE A 32 -13.442 4.307 -1.231 1.00 0.00 C ATOM 0 H ILE A 32 -16.332 2.274 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 32 -15.951 1.960 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.772 2.997 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.150 5.271 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.486 3.707 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.712 5.304 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.463 4.184 -5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.481 5.274 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.581 4.781 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.066 3.294 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.724 4.882 -1.816 1.00 0.00 H new ATOM 496 N ILE A 33 -18.093 3.190 -2.707 1.00 0.00 N ATOM 497 CA ILE A 33 -19.354 3.907 -2.608 1.00 0.00 C ATOM 498 C ILE A 33 -20.066 3.593 -1.294 1.00 0.00 C ATOM 499 O ILE A 33 -20.558 2.483 -1.091 1.00 0.00 O ATOM 500 CB ILE A 33 -20.282 3.567 -3.790 1.00 0.00 C ATOM 501 CG1 ILE A 33 -21.538 4.439 -3.753 1.00 0.00 C ATOM 502 CG2 ILE A 33 -20.652 2.090 -3.774 1.00 0.00 C ATOM 503 CD1 ILE A 33 -22.459 4.223 -4.934 1.00 0.00 C ATOM 0 H ILE A 33 -17.993 2.421 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.121 4.971 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 33 -19.748 3.774 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -22.086 4.234 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -21.242 5.487 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.308 1.870 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -19.747 1.487 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -21.166 1.854 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -23.328 4.874 -4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -21.928 4.456 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -22.785 3.183 -4.956 1.00 0.00 H new ATOM 515 N LEU A 34 -20.113 4.578 -0.403 1.00 0.00 N ATOM 516 CA LEU A 34 -20.759 4.408 0.891 1.00 0.00 C ATOM 517 C LEU A 34 -22.278 4.398 0.756 1.00 0.00 C ATOM 518 O LEU A 34 -22.983 3.841 1.598 1.00 0.00 O ATOM 519 CB LEU A 34 -20.324 5.516 1.850 1.00 0.00 C ATOM 520 CG LEU A 34 -19.541 5.041 3.075 1.00 0.00 C ATOM 521 CD1 LEU A 34 -18.581 6.123 3.547 1.00 0.00 C ATOM 522 CD2 LEU A 34 -20.492 4.644 4.195 1.00 0.00 C ATOM 0 H LEU A 34 -19.711 5.503 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.450 3.444 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.711 6.231 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -21.211 6.051 2.190 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.958 4.164 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.032 5.767 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.878 6.360 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.144 7.018 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.917 4.309 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.102 5.503 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.139 3.836 3.854 1.00 0.00 H new ATOM 534 N SER A 35 -22.776 5.018 -0.306 1.00 0.00 N ATOM 535 CA SER A 35 -24.212 5.082 -0.551 1.00 0.00 C ATOM 536 C SER A 35 -24.805 3.686 -0.718 1.00 0.00 C ATOM 537 O SER A 35 -25.999 3.479 -0.502 1.00 0.00 O ATOM 538 CB SER A 35 -24.503 5.929 -1.793 1.00 0.00 C ATOM 539 OG SER A 35 -23.329 6.136 -2.558 1.00 0.00 O ATOM 0 H SER A 35 -22.207 5.484 -1.012 1.00 0.00 H new ATOM 0 HA SER A 35 -24.680 5.549 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.257 5.434 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.918 6.891 -1.492 1.00 0.00 H new ATOM 0 HG SER A 35 -23.543 6.678 -3.346 1.00 0.00 H new ATOM 545 N ASP A 36 -23.964 2.734 -1.104 1.00 0.00 N ATOM 546 CA ASP A 36 -24.399 1.363 -1.299 1.00 0.00 C ATOM 547 C ASP A 36 -23.556 0.397 -0.473 1.00 0.00 C ATOM 548 O ASP A 36 -24.034 -0.182 0.502 1.00 0.00 O ATOM 549 CB ASP A 36 -24.329 0.987 -2.780 1.00 0.00 C ATOM 550 CG ASP A 36 -24.854 -0.410 -3.048 1.00 0.00 C ATOM 551 OD1 ASP A 36 -26.072 -0.551 -3.287 1.00 0.00 O ATOM 552 OD2 ASP A 36 -24.047 -1.363 -3.019 1.00 0.00 O ATOM 0 H ASP A 36 -22.973 2.891 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 36 -25.433 1.288 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -24.905 1.706 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -23.296 1.055 -3.121 1.00 0.00 H new ATOM 557 N GLU A 37 -22.300 0.225 -0.872 1.00 0.00 N ATOM 558 CA GLU A 37 -21.391 -0.674 -0.171 1.00 0.00 C ATOM 559 C GLU A 37 -21.123 -0.195 1.253 1.00 0.00 C ATOM 560 O GLU A 37 -20.696 -0.972 2.108 1.00 0.00 O ATOM 561 CB GLU A 37 -20.077 -0.802 -0.939 1.00 0.00 C ATOM 562 CG GLU A 37 -19.807 -2.204 -1.450 1.00 0.00 C ATOM 563 CD GLU A 37 -18.542 -2.807 -0.870 1.00 0.00 C ATOM 564 OE1 GLU A 37 -18.503 -3.039 0.356 1.00 0.00 O ATOM 565 OE2 GLU A 37 -17.591 -3.048 -1.643 1.00 0.00 O ATOM 0 H GLU A 37 -21.889 0.697 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 37 -21.868 -1.652 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.091 -0.113 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.256 -0.496 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.655 -2.844 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.728 -2.181 -2.537 1.00 0.00 H new ATOM 572 N GLY A 38 -21.376 1.085 1.505 1.00 0.00 N ATOM 573 CA GLY A 38 -21.156 1.636 2.828 1.00 0.00 C ATOM 574 C GLY A 38 -19.694 1.629 3.221 1.00 0.00 C ATOM 575 O GLY A 38 -19.357 1.496 4.397 1.00 0.00 O ATOM 0 H GLY A 38 -21.729 1.750 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -21.533 2.658 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.728 1.062 3.557 1.00 0.00 H new ATOM 579 N LYS A 39 -18.829 1.785 2.231 1.00 0.00 N ATOM 580 CA LYS A 39 -17.401 1.813 2.456 1.00 0.00 C ATOM 581 C LYS A 39 -16.736 2.772 1.480 1.00 0.00 C ATOM 582 O LYS A 39 -16.348 2.390 0.376 1.00 0.00 O ATOM 583 CB LYS A 39 -16.805 0.411 2.310 1.00 0.00 C ATOM 584 CG LYS A 39 -17.011 -0.199 0.932 1.00 0.00 C ATOM 585 CD LYS A 39 -15.692 -0.384 0.198 1.00 0.00 C ATOM 586 CE LYS A 39 -15.810 -0.005 -1.270 1.00 0.00 C ATOM 587 NZ LYS A 39 -15.840 -1.203 -2.153 1.00 0.00 N ATOM 0 H LYS A 39 -19.101 1.895 1.254 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.218 2.161 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.737 0.456 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.251 -0.244 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.511 -1.163 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.668 0.442 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.923 0.226 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.371 -1.422 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.717 0.580 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.970 0.631 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.312 -0.963 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.867 -1.515 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.362 -1.969 -1.681 1.00 0.00 H new ATOM 601 N MET A 40 -16.607 4.015 1.905 1.00 0.00 N ATOM 602 CA MET A 40 -15.988 5.046 1.094 1.00 0.00 C ATOM 603 C MET A 40 -15.279 6.066 1.976 1.00 0.00 C ATOM 604 O MET A 40 -15.850 7.093 2.343 1.00 0.00 O ATOM 605 CB MET A 40 -17.034 5.742 0.221 1.00 0.00 C ATOM 606 CG MET A 40 -16.458 6.834 -0.668 1.00 0.00 C ATOM 607 SD MET A 40 -17.060 8.478 -0.235 1.00 0.00 S ATOM 608 CE MET A 40 -18.771 8.358 -0.751 1.00 0.00 C ATOM 0 H MET A 40 -16.927 4.337 2.818 1.00 0.00 H new ATOM 0 HA MET A 40 -15.251 4.573 0.445 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.526 4.997 -0.405 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.801 6.175 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.371 6.819 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 40 -16.711 6.621 -1.707 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.060 9.273 -1.268 1.00 0.00 H new ATOM 0 HE2 MET A 40 -18.889 7.508 -1.423 1.00 0.00 H new ATOM 0 HE3 MET A 40 -19.406 8.219 0.124 1.00 0.00 H new ATOM 618 N TYR A 41 -14.031 5.770 2.310 1.00 0.00 N ATOM 619 CA TYR A 41 -13.229 6.645 3.145 1.00 0.00 C ATOM 620 C TYR A 41 -11.760 6.587 2.736 1.00 0.00 C ATOM 621 O TYR A 41 -11.405 5.931 1.757 1.00 0.00 O ATOM 622 CB TYR A 41 -13.384 6.263 4.615 1.00 0.00 C ATOM 623 CG TYR A 41 -13.936 7.375 5.479 1.00 0.00 C ATOM 624 CD1 TYR A 41 -13.556 8.696 5.275 1.00 0.00 C ATOM 625 CD2 TYR A 41 -14.838 7.103 6.500 1.00 0.00 C ATOM 626 CE1 TYR A 41 -14.059 9.714 6.064 1.00 0.00 C ATOM 627 CE2 TYR A 41 -15.345 8.115 7.293 1.00 0.00 C ATOM 628 CZ TYR A 41 -14.953 9.418 7.071 1.00 0.00 C ATOM 629 OH TYR A 41 -15.456 10.428 7.859 1.00 0.00 O ATOM 0 H TYR A 41 -13.551 4.921 2.011 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.583 7.667 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.042 5.397 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.413 5.959 5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.856 8.931 4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.148 6.084 6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.753 10.735 5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.045 7.886 8.083 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.073 10.051 8.520 1.00 0.00 H new ATOM 639 N GLY A 42 -10.910 7.277 3.490 1.00 0.00 N ATOM 640 CA GLY A 42 -9.490 7.288 3.187 1.00 0.00 C ATOM 641 C GLY A 42 -8.913 5.892 3.052 1.00 0.00 C ATOM 642 O GLY A 42 -8.660 5.217 4.050 1.00 0.00 O ATOM 0 H GLY A 42 -11.179 7.828 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.324 7.837 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.958 7.823 3.974 1.00 0.00 H new ATOM 646 N ARG A 43 -8.709 5.457 1.812 1.00 0.00 N ATOM 647 CA ARG A 43 -8.164 4.131 1.544 1.00 0.00 C ATOM 648 C ARG A 43 -6.822 3.931 2.240 1.00 0.00 C ATOM 649 O ARG A 43 -6.424 2.803 2.532 1.00 0.00 O ATOM 650 CB ARG A 43 -8.011 3.918 0.039 1.00 0.00 C ATOM 651 CG ARG A 43 -8.891 2.807 -0.510 1.00 0.00 C ATOM 652 CD ARG A 43 -8.257 1.441 -0.304 1.00 0.00 C ATOM 653 NE ARG A 43 -8.939 0.400 -1.069 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.765 0.203 -2.373 1.00 0.00 C ATOM 655 NH1 ARG A 43 -7.933 0.974 -3.063 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.425 -0.767 -2.991 1.00 0.00 N ATOM 0 H ARG A 43 -8.913 6.005 0.976 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.863 3.395 1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.249 4.848 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.969 3.688 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.864 2.836 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.066 2.972 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.208 1.480 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.281 1.186 0.756 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.587 -0.212 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.423 1.722 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.804 0.818 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.066 -1.362 -2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.292 -0.918 -3.991 1.00 0.00 H new ATOM 670 N ASN A 44 -6.130 5.032 2.503 1.00 0.00 N ATOM 671 CA ASN A 44 -4.832 4.976 3.165 1.00 0.00 C ATOM 672 C ASN A 44 -4.951 4.350 4.547 1.00 0.00 C ATOM 673 O ASN A 44 -3.996 3.766 5.061 1.00 0.00 O ATOM 674 CB ASN A 44 -4.225 6.374 3.266 1.00 0.00 C ATOM 675 CG ASN A 44 -2.929 6.500 2.491 1.00 0.00 C ATOM 676 OD1 ASN A 44 -2.708 5.792 1.508 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.063 7.406 2.930 1.00 0.00 N ATOM 0 H ASN A 44 -6.445 5.974 2.269 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.173 4.350 2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.941 7.106 2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.043 6.613 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.173 7.537 2.448 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.287 7.971 3.749 1.00 0.00 H new ATOM 684 N GLU A 45 -6.128 4.469 5.142 1.00 0.00 N ATOM 685 CA GLU A 45 -6.374 3.906 6.459 1.00 0.00 C ATOM 686 C GLU A 45 -6.583 2.400 6.366 1.00 0.00 C ATOM 687 O GLU A 45 -6.332 1.666 7.321 1.00 0.00 O ATOM 688 CB GLU A 45 -7.590 4.569 7.107 1.00 0.00 C ATOM 689 CG GLU A 45 -7.447 4.767 8.608 1.00 0.00 C ATOM 690 CD GLU A 45 -8.240 5.955 9.117 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.717 7.087 9.058 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.384 5.752 9.574 1.00 0.00 O ATOM 0 H GLU A 45 -6.928 4.951 4.732 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.500 4.098 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.760 5.537 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.473 3.960 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.779 3.866 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.394 4.905 8.854 1.00 0.00 H new ATOM 699 N LEU A 46 -7.039 1.950 5.203 1.00 0.00 N ATOM 700 CA LEU A 46 -7.279 0.535 4.972 1.00 0.00 C ATOM 701 C LEU A 46 -5.972 -0.209 4.770 1.00 0.00 C ATOM 702 O LEU A 46 -5.792 -1.322 5.266 1.00 0.00 O ATOM 703 CB LEU A 46 -8.184 0.338 3.760 1.00 0.00 C ATOM 704 CG LEU A 46 -9.263 -0.736 3.915 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.958 -0.984 2.585 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.660 -2.026 4.449 1.00 0.00 C ATOM 0 H LEU A 46 -7.250 2.549 4.404 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.776 0.129 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.670 1.287 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.563 0.084 2.901 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.003 -0.381 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.723 -1.750 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.423 -0.061 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.227 -1.319 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.442 -2.778 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.900 -2.386 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.205 -1.840 5.422 1.00 0.00 H new ATOM 718 N ILE A 47 -5.062 0.415 4.043 1.00 0.00 N ATOM 719 CA ILE A 47 -3.768 -0.180 3.776 1.00 0.00 C ATOM 720 C ILE A 47 -2.884 -0.108 5.008 1.00 0.00 C ATOM 721 O ILE A 47 -2.080 -1.004 5.265 1.00 0.00 O ATOM 722 CB ILE A 47 -3.045 0.494 2.588 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.488 1.949 2.416 1.00 0.00 C ATOM 724 CG2 ILE A 47 -3.284 -0.290 1.307 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.493 2.797 1.654 1.00 0.00 C ATOM 0 H ILE A 47 -5.198 1.336 3.627 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.951 -1.221 3.511 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.977 0.495 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.445 1.970 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.651 2.390 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.768 0.198 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.903 -1.304 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.353 -0.326 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.872 3.816 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.541 2.807 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.348 2.380 0.657 1.00 0.00 H new ATOM 737 N ALA A 48 -3.047 0.960 5.770 1.00 0.00 N ATOM 738 CA ALA A 48 -2.276 1.151 6.983 1.00 0.00 C ATOM 739 C ALA A 48 -2.832 0.302 8.115 1.00 0.00 C ATOM 740 O ALA A 48 -2.113 -0.058 9.045 1.00 0.00 O ATOM 741 CB ALA A 48 -2.244 2.620 7.374 1.00 0.00 C ATOM 0 H ALA A 48 -3.709 1.709 5.568 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.253 0.829 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.660 2.741 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.788 3.200 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.261 2.973 7.544 1.00 0.00 H new ATOM 747 N ARG A 49 -4.113 -0.033 8.023 1.00 0.00 N ATOM 748 CA ARG A 49 -4.746 -0.860 9.032 1.00 0.00 C ATOM 749 C ARG A 49 -4.338 -2.312 8.838 1.00 0.00 C ATOM 750 O ARG A 49 -4.306 -3.095 9.787 1.00 0.00 O ATOM 751 CB ARG A 49 -6.269 -0.722 8.972 1.00 0.00 C ATOM 752 CG ARG A 49 -6.821 0.339 9.910 1.00 0.00 C ATOM 753 CD ARG A 49 -8.330 0.228 10.050 1.00 0.00 C ATOM 754 NE ARG A 49 -8.717 -0.486 11.265 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.923 -1.011 11.464 1.00 0.00 C ATOM 756 NH1 ARG A 49 -10.863 -0.905 10.532 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.191 -1.645 12.597 1.00 0.00 N ATOM 0 H ARG A 49 -4.728 0.256 7.262 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.415 -0.525 10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.564 -0.481 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.722 -1.683 9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.355 0.237 10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.561 1.329 9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.767 1.226 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.738 -0.288 9.181 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.021 -0.588 12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.662 -0.419 9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.786 -1.310 10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.473 -1.730 13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.116 -2.048 12.750 1.00 0.00 H new ATOM 771 N TYR A 50 -4.008 -2.656 7.599 1.00 0.00 N ATOM 772 CA TYR A 50 -3.580 -4.002 7.270 1.00 0.00 C ATOM 773 C TYR A 50 -2.207 -4.275 7.844 1.00 0.00 C ATOM 774 O TYR A 50 -1.992 -5.262 8.548 1.00 0.00 O ATOM 775 CB TYR A 50 -3.548 -4.195 5.766 1.00 0.00 C ATOM 776 CG TYR A 50 -3.609 -5.643 5.340 1.00 0.00 C ATOM 777 CD1 TYR A 50 -4.752 -6.403 5.547 1.00 0.00 C ATOM 778 CD2 TYR A 50 -2.516 -6.250 4.737 1.00 0.00 C ATOM 779 CE1 TYR A 50 -4.805 -7.729 5.163 1.00 0.00 C ATOM 780 CE2 TYR A 50 -2.560 -7.574 4.349 1.00 0.00 C ATOM 781 CZ TYR A 50 -3.707 -8.310 4.564 1.00 0.00 C ATOM 782 OH TYR A 50 -3.755 -9.630 4.180 1.00 0.00 O ATOM 0 H TYR A 50 -4.030 -2.015 6.805 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.294 -4.701 7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.386 -3.659 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.637 -3.747 5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.613 -5.951 6.016 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.616 -5.677 4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.701 -8.307 5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.701 -8.031 3.880 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.672 -9.964 4.271 1.00 0.00 H new ATOM 792 N ILE A 51 -1.283 -3.384 7.538 1.00 0.00 N ATOM 793 CA ILE A 51 0.078 -3.508 8.018 1.00 0.00 C ATOM 794 C ILE A 51 0.117 -3.455 9.536 1.00 0.00 C ATOM 795 O ILE A 51 0.919 -4.135 10.176 1.00 0.00 O ATOM 796 CB ILE A 51 0.992 -2.412 7.443 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.225 -1.106 7.220 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.629 -2.886 6.145 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.025 0.131 7.567 1.00 0.00 C ATOM 0 H ILE A 51 -1.452 -2.563 6.956 1.00 0.00 H new ATOM 0 HA ILE A 51 0.449 -4.474 7.677 1.00 0.00 H new ATOM 0 HB ILE A 51 1.779 -2.213 8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.083 -1.049 6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.685 -1.121 7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.273 -2.101 5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.222 -3.780 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.849 -3.116 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.420 1.019 7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.311 0.096 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.922 0.170 6.948 1.00 0.00 H new ATOM 811 N LYS A 52 -0.769 -2.653 10.104 1.00 0.00 N ATOM 812 CA LYS A 52 -0.856 -2.516 11.549 1.00 0.00 C ATOM 813 C LYS A 52 -1.387 -3.802 12.175 1.00 0.00 C ATOM 814 O LYS A 52 -1.134 -4.086 13.346 1.00 0.00 O ATOM 815 CB LYS A 52 -1.757 -1.336 11.923 1.00 0.00 C ATOM 816 CG LYS A 52 -0.997 -0.149 12.493 1.00 0.00 C ATOM 817 CD LYS A 52 -0.443 0.740 11.391 1.00 0.00 C ATOM 818 CE LYS A 52 -1.305 1.976 11.184 1.00 0.00 C ATOM 819 NZ LYS A 52 -2.757 1.645 11.162 1.00 0.00 N ATOM 0 H LYS A 52 -1.440 -2.086 9.585 1.00 0.00 H new ATOM 0 HA LYS A 52 0.145 -2.326 11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.307 -1.014 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.495 -1.669 12.653 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.658 0.434 13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.179 -0.506 13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.573 1.042 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.386 0.175 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.108 2.693 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.029 2.458 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.300 2.482 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.926 0.870 10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.061 1.351 12.112 1.00 0.00 H new ATOM 833 N LEU A 53 -2.123 -4.575 11.384 1.00 0.00 N ATOM 834 CA LEU A 53 -2.692 -5.831 11.851 1.00 0.00 C ATOM 835 C LEU A 53 -1.618 -6.903 11.991 1.00 0.00 C ATOM 836 O LEU A 53 -1.738 -7.816 12.807 1.00 0.00 O ATOM 837 CB LEU A 53 -3.784 -6.308 10.890 1.00 0.00 C ATOM 838 CG LEU A 53 -5.012 -6.936 11.554 1.00 0.00 C ATOM 839 CD1 LEU A 53 -4.596 -7.976 12.582 1.00 0.00 C ATOM 840 CD2 LEU A 53 -5.875 -5.861 12.197 1.00 0.00 C ATOM 0 H LEU A 53 -2.339 -4.351 10.413 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.130 -5.656 12.834 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.111 -5.460 10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.349 -7.036 10.205 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.600 -7.437 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.484 -8.409 13.041 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.021 -8.762 12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.984 -7.504 13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.744 -6.324 12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.294 -5.332 12.953 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.206 -5.156 11.435 1.00 0.00 H new ATOM 852 N ARG A 54 -0.573 -6.788 11.182 1.00 0.00 N ATOM 853 CA ARG A 54 0.521 -7.748 11.203 1.00 0.00 C ATOM 854 C ARG A 54 1.499 -7.449 12.329 1.00 0.00 C ATOM 855 O ARG A 54 1.733 -8.281 13.205 1.00 0.00 O ATOM 856 CB ARG A 54 1.254 -7.745 9.861 1.00 0.00 C ATOM 857 CG ARG A 54 2.194 -8.926 9.679 1.00 0.00 C ATOM 858 CD ARG A 54 2.253 -9.372 8.227 1.00 0.00 C ATOM 859 NE ARG A 54 2.822 -10.710 8.088 1.00 0.00 N ATOM 860 CZ ARG A 54 2.211 -11.821 8.495 1.00 0.00 C ATOM 861 NH1 ARG A 54 1.015 -11.758 9.065 1.00 0.00 N ATOM 862 NH2 ARG A 54 2.799 -12.998 8.330 1.00 0.00 N ATOM 0 H ARG A 54 -0.461 -6.037 10.501 1.00 0.00 H new ATOM 0 HA ARG A 54 0.094 -8.736 11.378 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.520 -7.748 9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.824 -6.820 9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.193 -8.653 10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.862 -9.756 10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.249 -9.359 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.850 -8.663 7.654 1.00 0.00 H new ATOM 0 HE ARG A 54 3.741 -10.799 7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.558 -10.855 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.552 -12.612 9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.718 -13.052 7.892 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.332 -13.850 8.641 1.00 0.00 H new ATOM 876 N THR A 55 2.068 -6.259 12.288 1.00 0.00 N ATOM 877 CA THR A 55 3.032 -5.831 13.294 1.00 0.00 C ATOM 878 C THR A 55 2.344 -5.497 14.613 1.00 0.00 C ATOM 879 O THR A 55 2.953 -5.574 15.680 1.00 0.00 O ATOM 880 CB THR A 55 3.826 -4.620 12.793 1.00 0.00 C ATOM 881 OG1 THR A 55 3.251 -4.094 11.609 1.00 0.00 O ATOM 882 CG2 THR A 55 5.276 -4.938 12.497 1.00 0.00 C ATOM 0 H THR A 55 1.880 -5.565 11.565 1.00 0.00 H new ATOM 0 HA THR A 55 3.719 -6.659 13.470 1.00 0.00 H new ATOM 0 HB THR A 55 3.787 -3.894 13.605 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.916 -3.551 11.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.782 -4.038 12.146 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.762 -5.297 13.404 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.330 -5.708 11.727 1.00 0.00 H new ATOM 890 N GLY A 56 1.073 -5.127 14.531 1.00 0.00 N ATOM 891 CA GLY A 56 0.321 -4.785 15.723 1.00 0.00 C ATOM 892 C GLY A 56 0.804 -3.502 16.379 1.00 0.00 C ATOM 893 O GLY A 56 0.387 -3.174 17.489 1.00 0.00 O ATOM 0 H GLY A 56 0.548 -5.057 13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.733 -4.680 15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.394 -5.603 16.440 1.00 0.00 H new ATOM 897 N LYS A 57 1.685 -2.775 15.695 1.00 0.00 N ATOM 898 CA LYS A 57 2.219 -1.529 16.221 1.00 0.00 C ATOM 899 C LYS A 57 3.044 -0.802 15.164 1.00 0.00 C ATOM 900 O LYS A 57 4.260 -0.975 15.083 1.00 0.00 O ATOM 901 CB LYS A 57 3.072 -1.803 17.452 1.00 0.00 C ATOM 902 CG LYS A 57 2.822 -0.835 18.597 1.00 0.00 C ATOM 903 CD LYS A 57 3.704 0.398 18.486 1.00 0.00 C ATOM 904 CE LYS A 57 3.001 1.521 17.741 1.00 0.00 C ATOM 905 NZ LYS A 57 3.943 2.298 16.889 1.00 0.00 N ATOM 0 H LYS A 57 2.042 -3.031 14.775 1.00 0.00 H new ATOM 0 HA LYS A 57 1.382 -0.890 16.502 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.879 -2.819 17.798 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.124 -1.756 17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.774 -0.535 18.599 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.012 -1.336 19.546 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.981 0.739 19.483 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.628 0.140 17.969 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.209 1.104 17.119 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.524 2.190 18.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.408 2.812 16.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.465 2.977 17.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.615 1.648 16.433 1.00 0.00 H new ATOM 919 N THR A 58 2.375 0.014 14.357 1.00 0.00 N ATOM 920 CA THR A 58 3.040 0.769 13.309 1.00 0.00 C ATOM 921 C THR A 58 2.337 2.099 13.060 1.00 0.00 C ATOM 922 O THR A 58 1.238 2.336 13.562 1.00 0.00 O ATOM 923 CB THR A 58 3.102 -0.040 12.016 1.00 0.00 C ATOM 924 OG1 THR A 58 2.742 -1.391 12.246 1.00 0.00 O ATOM 925 CG2 THR A 58 4.470 -0.031 11.369 1.00 0.00 C ATOM 0 H THR A 58 1.368 0.168 14.412 1.00 0.00 H new ATOM 0 HA THR A 58 4.057 0.974 13.644 1.00 0.00 H new ATOM 0 HB THR A 58 2.396 0.444 11.342 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.632 -1.851 11.388 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.444 -0.624 10.455 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.752 0.994 11.128 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.201 -0.456 12.057 1.00 0.00 H new ATOM 933 N ARG A 59 2.970 2.954 12.265 1.00 0.00 N ATOM 934 CA ARG A 59 2.406 4.246 11.928 1.00 0.00 C ATOM 935 C ARG A 59 2.976 4.731 10.603 1.00 0.00 C ATOM 936 O ARG A 59 3.705 5.721 10.545 1.00 0.00 O ATOM 937 CB ARG A 59 2.694 5.264 13.034 1.00 0.00 C ATOM 938 CG ARG A 59 1.588 5.364 14.071 1.00 0.00 C ATOM 939 CD ARG A 59 1.973 6.299 15.207 1.00 0.00 C ATOM 940 NE ARG A 59 2.473 5.570 16.370 1.00 0.00 N ATOM 941 CZ ARG A 59 2.940 6.158 17.469 1.00 0.00 C ATOM 942 NH1 ARG A 59 2.974 7.482 17.559 1.00 0.00 N ATOM 943 NH2 ARG A 59 3.375 5.420 18.482 1.00 0.00 N ATOM 0 H ARG A 59 3.880 2.770 11.842 1.00 0.00 H new ATOM 0 HA ARG A 59 1.325 4.141 11.832 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.625 4.993 13.532 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.848 6.244 12.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.674 5.723 13.597 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.372 4.373 14.471 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.736 6.996 14.860 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.107 6.894 15.497 1.00 0.00 H new ATOM 0 HE ARG A 59 2.464 4.551 16.338 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.641 8.055 16.783 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.333 7.927 18.404 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.352 4.402 18.419 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.733 5.870 19.324 1.00 0.00 H new ATOM 957 N THR A 60 2.630 4.019 9.541 1.00 0.00 N ATOM 958 CA THR A 60 3.090 4.355 8.206 1.00 0.00 C ATOM 959 C THR A 60 1.970 4.172 7.186 1.00 0.00 C ATOM 960 O THR A 60 1.727 3.063 6.711 1.00 0.00 O ATOM 961 CB THR A 60 4.296 3.495 7.825 1.00 0.00 C ATOM 962 OG1 THR A 60 4.591 3.629 6.446 1.00 0.00 O ATOM 963 CG2 THR A 60 4.096 2.023 8.112 1.00 0.00 C ATOM 0 H THR A 60 2.026 3.198 9.581 1.00 0.00 H new ATOM 0 HA THR A 60 3.391 5.403 8.203 1.00 0.00 H new ATOM 0 HB THR A 60 5.118 3.859 8.442 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.366 3.073 6.222 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.989 1.471 7.818 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.916 1.881 9.178 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.239 1.655 7.547 1.00 0.00 H new ATOM 971 N ARG A 61 1.288 5.264 6.854 1.00 0.00 N ATOM 972 CA ARG A 61 0.196 5.218 5.897 1.00 0.00 C ATOM 973 C ARG A 61 0.575 5.916 4.599 1.00 0.00 C ATOM 974 O ARG A 61 0.148 5.517 3.516 1.00 0.00 O ATOM 975 CB ARG A 61 -1.065 5.857 6.486 1.00 0.00 C ATOM 976 CG ARG A 61 -1.263 5.571 7.967 1.00 0.00 C ATOM 977 CD ARG A 61 -2.725 5.688 8.367 1.00 0.00 C ATOM 978 NE ARG A 61 -2.887 6.346 9.661 1.00 0.00 N ATOM 979 CZ ARG A 61 -4.031 6.880 10.084 1.00 0.00 C ATOM 980 NH1 ARG A 61 -5.115 6.834 9.319 1.00 0.00 N ATOM 981 NH2 ARG A 61 -4.092 7.460 11.274 1.00 0.00 N ATOM 0 H ARG A 61 1.475 6.191 7.236 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.009 4.170 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.018 6.936 6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.935 5.497 5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.901 4.569 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.667 6.268 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.266 6.249 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.171 4.694 8.407 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.076 6.400 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.074 6.388 8.403 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.989 7.245 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.262 7.497 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.969 7.869 11.598 1.00 0.00 H new ATOM 995 N LYS A 62 1.378 6.960 4.720 1.00 0.00 N ATOM 996 CA LYS A 62 1.821 7.722 3.563 1.00 0.00 C ATOM 997 C LYS A 62 2.827 6.930 2.742 1.00 0.00 C ATOM 998 O LYS A 62 2.912 7.084 1.524 1.00 0.00 O ATOM 999 CB LYS A 62 2.426 9.053 4.004 1.00 0.00 C ATOM 1000 CG LYS A 62 1.734 10.265 3.403 1.00 0.00 C ATOM 1001 CD LYS A 62 2.325 10.631 2.051 1.00 0.00 C ATOM 1002 CE LYS A 62 3.573 11.486 2.202 1.00 0.00 C ATOM 1003 NZ LYS A 62 3.916 12.195 0.938 1.00 0.00 N ATOM 0 H LYS A 62 1.738 7.301 5.611 1.00 0.00 H new ATOM 0 HA LYS A 62 0.953 7.922 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.380 9.121 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.480 9.073 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.669 10.060 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.826 11.112 4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.570 9.722 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.583 11.170 1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.419 12.215 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.410 10.857 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.772 12.767 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.088 11.499 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.128 12.815 0.663 1.00 0.00 H new ATOM 1017 N GLN A 63 3.584 6.079 3.417 1.00 0.00 N ATOM 1018 CA GLN A 63 4.582 5.256 2.755 1.00 0.00 C ATOM 1019 C GLN A 63 3.920 4.124 1.978 1.00 0.00 C ATOM 1020 O GLN A 63 4.461 3.637 0.986 1.00 0.00 O ATOM 1021 CB GLN A 63 5.572 4.693 3.772 1.00 0.00 C ATOM 1022 CG GLN A 63 6.991 5.207 3.588 1.00 0.00 C ATOM 1023 CD GLN A 63 7.828 4.302 2.706 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.300 3.561 1.877 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.143 4.356 2.882 1.00 0.00 N ATOM 0 H GLN A 63 3.525 5.941 4.426 1.00 0.00 H new ATOM 0 HA GLN A 63 5.127 5.884 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.231 4.944 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.576 3.605 3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.958 6.205 3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.469 5.301 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.539 4.985 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.758 3.769 2.318 1.00 0.00 H new ATOM 1034 N VAL A 64 2.744 3.714 2.437 1.00 0.00 N ATOM 1035 CA VAL A 64 2.003 2.644 1.789 1.00 0.00 C ATOM 1036 C VAL A 64 1.294 3.139 0.535 1.00 0.00 C ATOM 1037 O VAL A 64 0.942 2.349 -0.339 1.00 0.00 O ATOM 1038 CB VAL A 64 0.962 2.014 2.735 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.365 0.761 2.112 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.585 1.701 4.087 1.00 0.00 C ATOM 0 H VAL A 64 2.284 4.109 3.257 1.00 0.00 H new ATOM 0 HA VAL A 64 2.737 1.886 1.514 1.00 0.00 H new ATOM 0 HB VAL A 64 0.159 2.734 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.368 0.329 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.122 1.019 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.157 0.036 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.834 1.257 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.410 1.001 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.959 2.621 4.537 1.00 0.00 H new ATOM 1050 N SER A 65 1.097 4.449 0.444 1.00 0.00 N ATOM 1051 CA SER A 65 0.442 5.036 -0.712 1.00 0.00 C ATOM 1052 C SER A 65 1.457 5.265 -1.815 1.00 0.00 C ATOM 1053 O SER A 65 1.161 5.114 -3.000 1.00 0.00 O ATOM 1054 CB SER A 65 -0.241 6.352 -0.336 1.00 0.00 C ATOM 1055 OG SER A 65 0.686 7.424 -0.326 1.00 0.00 O ATOM 0 H SER A 65 1.382 5.121 1.157 1.00 0.00 H new ATOM 0 HA SER A 65 -0.323 4.346 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.041 6.566 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.703 6.258 0.647 1.00 0.00 H new ATOM 0 HG SER A 65 1.390 7.241 0.331 1.00 0.00 H new ATOM 1061 N SER A 66 2.661 5.613 -1.400 1.00 0.00 N ATOM 1062 CA SER A 66 3.755 5.852 -2.320 1.00 0.00 C ATOM 1063 C SER A 66 4.204 4.547 -2.957 1.00 0.00 C ATOM 1064 O SER A 66 4.626 4.513 -4.113 1.00 0.00 O ATOM 1065 CB SER A 66 4.915 6.500 -1.581 1.00 0.00 C ATOM 1066 OG SER A 66 5.447 7.592 -2.312 1.00 0.00 O ATOM 0 H SER A 66 2.907 5.737 -0.418 1.00 0.00 H new ATOM 0 HA SER A 66 3.414 6.523 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.579 6.844 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.697 5.761 -1.408 1.00 0.00 H new ATOM 0 HG SER A 66 6.190 7.990 -1.812 1.00 0.00 H new ATOM 1072 N HIS A 67 4.109 3.475 -2.184 1.00 0.00 N ATOM 1073 CA HIS A 67 4.501 2.153 -2.651 1.00 0.00 C ATOM 1074 C HIS A 67 3.561 1.655 -3.738 1.00 0.00 C ATOM 1075 O HIS A 67 3.981 0.979 -4.677 1.00 0.00 O ATOM 1076 CB HIS A 67 4.530 1.162 -1.487 1.00 0.00 C ATOM 1077 CG HIS A 67 5.208 -0.131 -1.818 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.451 -0.200 -2.410 1.00 0.00 N ATOM 1079 CD2 HIS A 67 4.809 -1.412 -1.634 1.00 0.00 C ATOM 1080 CE1 HIS A 67 6.787 -1.467 -2.578 1.00 0.00 C ATOM 1081 NE2 HIS A 67 5.808 -2.222 -2.115 1.00 0.00 N ATOM 0 H HIS A 67 3.762 3.495 -1.225 1.00 0.00 H new ATOM 0 HA HIS A 67 5.502 2.231 -3.075 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.039 1.623 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.508 0.956 -1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.879 -1.736 -1.191 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.706 -1.824 -3.019 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.796 -3.242 -2.115 1.00 0.00 H new ATOM 1090 N ILE A 68 2.289 1.997 -3.607 1.00 0.00 N ATOM 1091 CA ILE A 68 1.289 1.587 -4.582 1.00 0.00 C ATOM 1092 C ILE A 68 1.469 2.341 -5.892 1.00 0.00 C ATOM 1093 O ILE A 68 1.117 1.845 -6.962 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.145 1.808 -4.059 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.314 1.160 -2.684 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.166 1.248 -5.040 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.338 1.854 -1.813 1.00 0.00 C ATOM 0 H ILE A 68 1.924 2.557 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 68 1.433 0.520 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.316 2.880 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.606 0.118 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.648 1.159 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.171 1.414 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.060 1.750 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.998 0.179 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.406 1.342 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.037 2.889 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.310 1.832 -2.306 1.00 0.00 H new ATOM 1109 N GLN A 69 2.027 3.540 -5.799 1.00 0.00 N ATOM 1110 CA GLN A 69 2.265 4.364 -6.974 1.00 0.00 C ATOM 1111 C GLN A 69 3.420 3.808 -7.794 1.00 0.00 C ATOM 1112 O GLN A 69 3.469 3.975 -9.013 1.00 0.00 O ATOM 1113 CB GLN A 69 2.555 5.809 -6.565 1.00 0.00 C ATOM 1114 CG GLN A 69 1.412 6.467 -5.810 1.00 0.00 C ATOM 1115 CD GLN A 69 1.218 7.920 -6.197 1.00 0.00 C ATOM 1116 OE1 GLN A 69 1.595 8.338 -7.292 1.00 0.00 O ATOM 1117 NE2 GLN A 69 0.628 8.699 -5.298 1.00 0.00 N ATOM 0 H GLN A 69 2.324 3.964 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 69 1.365 4.349 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.450 5.829 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.774 6.394 -7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.490 5.917 -6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.604 6.403 -4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.331 8.310 -4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.471 9.686 -5.503 1.00 0.00 H new ATOM 1126 N VAL A 70 4.344 3.138 -7.117 1.00 0.00 N ATOM 1127 CA VAL A 70 5.496 2.547 -7.781 1.00 0.00 C ATOM 1128 C VAL A 70 5.082 1.349 -8.623 1.00 0.00 C ATOM 1129 O VAL A 70 5.728 1.022 -9.618 1.00 0.00 O ATOM 1130 CB VAL A 70 6.573 2.109 -6.781 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.916 1.951 -7.478 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.677 3.092 -5.624 1.00 0.00 C ATOM 0 H VAL A 70 4.317 2.991 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 70 5.915 3.320 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 70 6.282 1.141 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.668 1.640 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.833 1.197 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.211 2.903 -7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.448 2.757 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.937 4.079 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.720 3.145 -5.105 1.00 0.00 H new ATOM 1142 N LEU A 71 3.997 0.701 -8.216 1.00 0.00 N ATOM 1143 CA LEU A 71 3.488 -0.459 -8.932 1.00 0.00 C ATOM 1144 C LEU A 71 2.891 -0.050 -10.271 1.00 0.00 C ATOM 1145 O LEU A 71 2.908 -0.818 -11.233 1.00 0.00 O ATOM 1146 CB LEU A 71 2.445 -1.190 -8.087 1.00 0.00 C ATOM 1147 CG LEU A 71 2.816 -2.621 -7.696 1.00 0.00 C ATOM 1148 CD1 LEU A 71 2.848 -3.518 -8.924 1.00 0.00 C ATOM 1149 CD2 LEU A 71 4.158 -2.646 -6.980 1.00 0.00 C ATOM 0 H LEU A 71 3.453 0.961 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 71 4.322 -1.135 -9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.269 -0.615 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.504 -1.212 -8.637 1.00 0.00 H new ATOM 0 HG LEU A 71 2.055 -3.001 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.114 -4.532 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.866 -3.524 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.588 -3.141 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.407 -3.672 -6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.929 -2.248 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.101 -2.036 -6.078 1.00 0.00 H new ATOM 1161 N ALA A 72 2.369 1.168 -10.326 1.00 0.00 N ATOM 1162 CA ALA A 72 1.770 1.687 -11.546 1.00 0.00 C ATOM 1163 C ALA A 72 2.832 1.958 -12.601 1.00 0.00 C ATOM 1164 O ALA A 72 2.567 1.882 -13.801 1.00 0.00 O ATOM 1165 CB ALA A 72 0.976 2.951 -11.251 1.00 0.00 C ATOM 0 H ALA A 72 2.349 1.815 -9.538 1.00 0.00 H new ATOM 0 HA ALA A 72 1.089 0.932 -11.939 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.534 3.327 -12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.185 2.725 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.639 3.708 -10.832 1.00 0.00 H new ATOM 1171 N ARG A 73 4.037 2.268 -12.143 1.00 0.00 N ATOM 1172 CA ARG A 73 5.148 2.545 -13.040 1.00 0.00 C ATOM 1173 C ARG A 73 5.610 1.272 -13.736 1.00 0.00 C ATOM 1174 O ARG A 73 6.132 1.313 -14.850 1.00 0.00 O ATOM 1175 CB ARG A 73 6.311 3.176 -12.272 1.00 0.00 C ATOM 1176 CG ARG A 73 5.899 4.352 -11.402 1.00 0.00 C ATOM 1177 CD ARG A 73 6.992 5.406 -11.337 1.00 0.00 C ATOM 1178 NE ARG A 73 6.666 6.475 -10.395 1.00 0.00 N ATOM 1179 CZ ARG A 73 5.739 7.404 -10.620 1.00 0.00 C ATOM 1180 NH1 ARG A 73 5.046 7.400 -11.751 1.00 0.00 N ATOM 1181 NH2 ARG A 73 5.505 8.339 -9.710 1.00 0.00 N ATOM 0 H ARG A 73 4.270 2.334 -11.152 1.00 0.00 H new ATOM 0 HA ARG A 73 4.804 3.249 -13.798 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.776 2.416 -11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.067 3.508 -12.983 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.986 4.797 -11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.671 4.000 -10.396 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.931 4.937 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.145 5.831 -12.329 1.00 0.00 H new ATOM 0 HE ARG A 73 7.179 6.511 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.222 6.683 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.337 8.114 -11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.035 8.346 -8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.795 9.051 -9.881 1.00 0.00 H new ATOM 1195 N ARG A 74 5.411 0.142 -13.070 1.00 0.00 N ATOM 1196 CA ARG A 74 5.801 -1.148 -13.618 1.00 0.00 C ATOM 1197 C ARG A 74 4.896 -1.539 -14.779 1.00 0.00 C ATOM 1198 O ARG A 74 5.308 -2.258 -15.689 1.00 0.00 O ATOM 1199 CB ARG A 74 5.757 -2.225 -12.532 1.00 0.00 C ATOM 1200 CG ARG A 74 6.861 -3.261 -12.657 1.00 0.00 C ATOM 1201 CD ARG A 74 6.473 -4.572 -11.992 1.00 0.00 C ATOM 1202 NE ARG A 74 7.618 -5.229 -11.367 1.00 0.00 N ATOM 1203 CZ ARG A 74 8.609 -5.799 -12.048 1.00 0.00 C ATOM 1204 NH1 ARG A 74 8.600 -5.794 -13.376 1.00 0.00 N ATOM 1205 NH2 ARG A 74 9.613 -6.375 -11.401 1.00 0.00 N ATOM 0 H ARG A 74 4.980 0.094 -12.147 1.00 0.00 H new ATOM 0 HA ARG A 74 6.822 -1.063 -13.990 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.828 -1.747 -11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.791 -2.729 -12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.079 -3.437 -13.710 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.774 -2.878 -12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.708 -4.384 -11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.033 -5.239 -12.734 1.00 0.00 H new ATOM 0 HE ARG A 74 7.661 -5.252 -10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.831 -5.352 -13.879 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.362 -6.232 -13.893 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.626 -6.381 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.372 -6.812 -11.923 1.00 0.00 H new ATOM 1219 N LYS A 75 3.660 -1.058 -14.738 1.00 0.00 N ATOM 1220 CA LYS A 75 2.690 -1.352 -15.783 1.00 0.00 C ATOM 1221 C LYS A 75 3.031 -0.608 -17.069 1.00 0.00 C ATOM 1222 O LYS A 75 2.690 -1.052 -18.166 1.00 0.00 O ATOM 1223 CB LYS A 75 1.280 -0.980 -15.321 1.00 0.00 C ATOM 1224 CG LYS A 75 0.543 -2.120 -14.639 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.943 -2.094 -14.960 1.00 0.00 C ATOM 1226 CE LYS A 75 -1.780 -2.483 -13.752 1.00 0.00 C ATOM 1227 NZ LYS A 75 -3.239 -2.353 -14.022 1.00 0.00 N ATOM 0 H LYS A 75 3.306 -0.461 -13.990 1.00 0.00 H new ATOM 0 HA LYS A 75 2.726 -2.422 -15.985 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.343 -0.136 -14.634 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.700 -0.647 -16.182 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.968 -3.072 -14.957 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.685 -2.052 -13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.227 -1.096 -15.295 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.151 -2.777 -15.783 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.553 -3.511 -13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.510 -1.852 -12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.633 -1.588 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.388 -2.133 -15.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.716 -3.247 -13.789 1.00 0.00 H new ATOM 1241 N SER A 76 3.705 0.525 -16.925 1.00 0.00 N ATOM 1242 CA SER A 76 4.095 1.337 -18.070 1.00 0.00 C ATOM 1243 C SER A 76 5.172 0.643 -18.900 1.00 0.00 C ATOM 1244 O SER A 76 5.408 1.006 -20.052 1.00 0.00 O ATOM 1245 CB SER A 76 4.595 2.706 -17.605 1.00 0.00 C ATOM 1246 OG SER A 76 3.522 3.619 -17.460 1.00 0.00 O ATOM 0 H SER A 76 3.994 0.904 -16.023 1.00 0.00 H new ATOM 0 HA SER A 76 3.215 1.472 -18.699 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.119 2.602 -16.655 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.315 3.097 -18.324 1.00 0.00 H new ATOM 0 HG SER A 76 3.868 4.486 -17.160 1.00 0.00 H new ATOM 1252 N ARG A 77 5.821 -0.357 -18.312 1.00 0.00 N ATOM 1253 CA ARG A 77 6.869 -1.098 -19.004 1.00 0.00 C ATOM 1254 C ARG A 77 6.324 -1.787 -20.254 1.00 0.00 C ATOM 1255 O ARG A 77 7.086 -2.186 -21.134 1.00 0.00 O ATOM 1256 CB ARG A 77 7.494 -2.134 -18.068 1.00 0.00 C ATOM 1257 CG ARG A 77 8.628 -1.581 -17.221 1.00 0.00 C ATOM 1258 CD ARG A 77 8.746 -2.320 -15.897 1.00 0.00 C ATOM 1259 NE ARG A 77 9.804 -3.327 -15.925 1.00 0.00 N ATOM 1260 CZ ARG A 77 10.359 -3.850 -14.834 1.00 0.00 C ATOM 1261 NH1 ARG A 77 9.961 -3.464 -13.628 1.00 0.00 N ATOM 1262 NH2 ARG A 77 11.316 -4.761 -14.949 1.00 0.00 N ATOM 0 H ARG A 77 5.640 -0.672 -17.359 1.00 0.00 H new ATOM 0 HA ARG A 77 7.635 -0.386 -19.312 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.721 -2.531 -17.411 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.868 -2.969 -18.661 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.566 -1.663 -17.769 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.460 -0.521 -17.033 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.947 -1.605 -15.099 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.795 -2.799 -15.663 1.00 0.00 H new ATOM 0 HE ARG A 77 10.137 -3.648 -16.834 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.226 -2.763 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.390 -3.868 -12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.626 -5.061 -15.873 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.742 -5.162 -14.113 1.00 0.00 H new ATOM 1276 N ASP A 78 5.002 -1.923 -20.328 1.00 0.00 N ATOM 1277 CA ASP A 78 4.364 -2.565 -21.472 1.00 0.00 C ATOM 1278 C ASP A 78 4.714 -1.847 -22.772 1.00 0.00 C ATOM 1279 O ASP A 78 4.640 -2.430 -23.854 1.00 0.00 O ATOM 1280 CB ASP A 78 2.849 -2.601 -21.282 1.00 0.00 C ATOM 1281 CG ASP A 78 2.306 -4.015 -21.222 1.00 0.00 C ATOM 1282 OD1 ASP A 78 2.415 -4.736 -22.236 1.00 0.00 O ATOM 1283 OD2 ASP A 78 1.773 -4.402 -20.161 1.00 0.00 O ATOM 0 H ASP A 78 4.354 -1.598 -19.611 1.00 0.00 H new ATOM 0 HA ASP A 78 4.738 -3.587 -21.537 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.589 -2.076 -20.363 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.370 -2.066 -22.102 1.00 0.00 H new ATOM 1288 N LEU A 79 5.094 -0.580 -22.659 1.00 0.00 N ATOM 1289 CA LEU A 79 5.455 0.218 -23.824 1.00 0.00 C ATOM 1290 C LEU A 79 6.698 -0.346 -24.506 1.00 0.00 C ATOM 1291 O LEU A 79 7.808 0.144 -24.299 1.00 0.00 O ATOM 1292 CB LEU A 79 5.698 1.673 -23.417 1.00 0.00 C ATOM 1293 CG LEU A 79 5.325 2.712 -24.476 1.00 0.00 C ATOM 1294 CD1 LEU A 79 5.112 4.074 -23.834 1.00 0.00 C ATOM 1295 CD2 LEU A 79 6.401 2.788 -25.549 1.00 0.00 C ATOM 0 H LEU A 79 5.160 -0.083 -21.771 1.00 0.00 H new ATOM 0 HA LEU A 79 4.626 0.180 -24.530 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.130 1.881 -22.510 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.752 1.793 -23.167 1.00 0.00 H new ATOM 0 HG LEU A 79 4.391 2.405 -24.947 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.847 4.801 -24.602 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.306 4.009 -23.102 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.029 4.389 -23.337 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.120 3.532 -26.294 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.350 3.072 -25.093 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.506 1.815 -26.029 1.00 0.00 H new ATOM 1307 N VAL A 80 6.504 -1.379 -25.319 1.00 0.00 N ATOM 1308 CA VAL A 80 7.609 -2.009 -26.031 1.00 0.00 C ATOM 1309 C VAL A 80 8.318 -1.006 -26.942 1.00 0.00 C ATOM 1310 O VAL A 80 7.669 -0.225 -27.637 1.00 0.00 O ATOM 1311 CB VAL A 80 7.123 -3.205 -26.874 1.00 0.00 C ATOM 1312 CG1 VAL A 80 6.119 -2.750 -27.923 1.00 0.00 C ATOM 1313 CG2 VAL A 80 8.299 -3.917 -27.525 1.00 0.00 C ATOM 0 H VAL A 80 5.592 -1.797 -25.501 1.00 0.00 H new ATOM 0 HA VAL A 80 8.311 -2.369 -25.278 1.00 0.00 H new ATOM 0 HB VAL A 80 6.624 -3.911 -26.210 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.789 -3.609 -28.507 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.260 -2.294 -27.431 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.588 -2.021 -28.584 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.934 -4.758 -28.115 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.831 -3.222 -28.174 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.976 -4.283 -26.753 1.00 0.00 H new ATOM 1323 N PRO A 81 9.664 -1.015 -26.952 1.00 0.00 N ATOM 1324 CA PRO A 81 10.451 -0.100 -27.785 1.00 0.00 C ATOM 1325 C PRO A 81 10.299 -0.394 -29.274 1.00 0.00 C ATOM 1326 O PRO A 81 10.985 -1.260 -29.818 1.00 0.00 O ATOM 1327 CB PRO A 81 11.890 -0.352 -27.335 1.00 0.00 C ATOM 1328 CG PRO A 81 11.875 -1.732 -26.786 1.00 0.00 C ATOM 1329 CD PRO A 81 10.522 -1.910 -26.157 1.00 0.00 C ATOM 0 HA PRO A 81 10.129 0.935 -27.665 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.587 -0.265 -28.168 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.202 0.371 -26.581 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.040 -2.467 -27.573 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.668 -1.869 -26.051 1.00 0.00 H new ATOM 0 HD2 PRO A 81 10.185 -2.945 -26.212 1.00 0.00 H new ATOM 0 HD3 PRO A 81 10.528 -1.632 -25.103 1.00 0.00 H new ATOM 1337 N ARG A 82 9.399 0.334 -29.926 1.00 0.00 N ATOM 1338 CA ARG A 82 9.157 0.156 -31.350 1.00 0.00 C ATOM 1339 C ARG A 82 8.493 1.392 -31.948 1.00 0.00 C ATOM 1340 O ARG A 82 7.557 1.925 -31.314 1.00 0.00 O ATOM 1341 CB ARG A 82 8.282 -1.076 -31.593 1.00 0.00 C ATOM 1342 CG ARG A 82 8.983 -2.390 -31.290 1.00 0.00 C ATOM 1343 CD ARG A 82 8.161 -3.580 -31.759 1.00 0.00 C ATOM 1344 NE ARG A 82 8.253 -4.707 -30.833 1.00 0.00 N ATOM 1345 CZ ARG A 82 7.520 -5.813 -30.937 1.00 0.00 C ATOM 1346 NH1 ARG A 82 6.642 -5.946 -31.924 1.00 0.00 N ATOM 1347 NH2 ARG A 82 7.666 -6.790 -30.053 1.00 0.00 N ATOM 1348 OXT ARG A 82 8.914 1.818 -33.044 1.00 0.00 O ATOM 0 H ARG A 82 8.825 1.054 -29.488 1.00 0.00 H new ATOM 0 HA ARG A 82 10.120 0.010 -31.840 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.386 -1.002 -30.977 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.955 -1.080 -32.633 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.958 -2.405 -31.778 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.162 -2.470 -30.218 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.118 -3.281 -31.864 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.504 -3.892 -32.745 1.00 0.00 H new ATOM 0 HE ARG A 82 8.918 -4.642 -30.062 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.526 -5.198 -32.608 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.083 -6.796 -31.998 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.340 -6.694 -29.293 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.104 -7.638 -30.132 1.00 0.00 H new TER 1362 ARG A 82