USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 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 44 ASN : amide:sc= -0.302 K(o=-0.36,f=-1.9!) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= -0.0573 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00282) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.4!) USER MOD Single : A 16 SER OG : rot 100:sc= -1.46 USER MOD Single : A 18 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 22 SER OG : rot -52:sc= 0.213 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.873 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.102 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -126:sc= -0.619 (180deg=-4.14!) USER MOD Single : A 41 TYR OH : rot 165:sc= -2.2 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0337) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 60 THR OG1 : rot 140:sc= -1.12 USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0341) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -5.71! C(o=-7.7!,f=-5.7!) USER MOD Single : A 69 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.157 10.816 6.849 1.00 0.00 N ATOM 2 CA MET A 1 24.389 9.544 6.793 1.00 0.00 C ATOM 3 C MET A 1 23.152 9.608 7.683 1.00 0.00 C ATOM 4 O MET A 1 23.217 10.071 8.821 1.00 0.00 O ATOM 5 CB MET A 1 25.304 8.403 7.242 1.00 0.00 C ATOM 6 CG MET A 1 26.436 8.112 6.269 1.00 0.00 C ATOM 7 SD MET A 1 26.827 6.355 6.165 1.00 0.00 S ATOM 8 CE MET A 1 28.056 6.204 7.459 1.00 0.00 C ATOM 0 H1 MET A 1 25.974 10.757 6.208 1.00 0.00 H new ATOM 0 H2 MET A 1 24.545 11.604 6.557 1.00 0.00 H new ATOM 0 H3 MET A 1 25.490 10.978 7.821 1.00 0.00 H new ATOM 0 HA MET A 1 24.050 9.375 5.771 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.727 8.650 8.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.708 7.500 7.373 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.163 8.479 5.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.326 8.661 6.578 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.397 5.170 7.518 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.903 6.853 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.618 6.497 8.413 1.00 0.00 H new ATOM 20 N ASP A 2 22.026 9.138 7.156 1.00 0.00 N ATOM 21 CA ASP A 2 20.774 9.141 7.902 1.00 0.00 C ATOM 22 C ASP A 2 20.897 8.315 9.179 1.00 0.00 C ATOM 23 O ASP A 2 21.954 7.754 9.467 1.00 0.00 O ATOM 24 CB ASP A 2 19.639 8.601 7.034 1.00 0.00 C ATOM 25 CG ASP A 2 18.551 9.630 6.796 1.00 0.00 C ATOM 26 OD1 ASP A 2 18.836 10.653 6.139 1.00 0.00 O ATOM 27 OD2 ASP A 2 17.415 9.412 7.266 1.00 0.00 O ATOM 0 H ASP A 2 21.955 8.750 6.215 1.00 0.00 H new ATOM 0 HA ASP A 2 20.548 10.170 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.042 8.275 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.206 7.723 7.513 1.00 0.00 H new ATOM 32 N ASN A 3 19.811 8.247 9.941 1.00 0.00 N ATOM 33 CA ASN A 3 19.796 7.495 11.184 1.00 0.00 C ATOM 34 C ASN A 3 19.242 6.087 10.974 1.00 0.00 C ATOM 35 O ASN A 3 18.685 5.487 11.893 1.00 0.00 O ATOM 36 CB ASN A 3 18.971 8.231 12.238 1.00 0.00 C ATOM 37 CG ASN A 3 19.804 8.655 13.433 1.00 0.00 C ATOM 38 OD1 ASN A 3 19.576 8.203 14.555 1.00 0.00 O ATOM 39 ND2 ASN A 3 20.776 9.528 13.197 1.00 0.00 N ATOM 0 H ASN A 3 18.928 8.706 9.716 1.00 0.00 H new ATOM 0 HA ASN A 3 20.825 7.405 11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 3 18.513 9.111 11.787 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.159 7.587 12.575 1.00 0.00 H new ATOM 0 HD21 ASN A 3 21.369 9.850 13.962 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.930 9.877 12.251 1.00 0.00 H new ATOM 46 N ASP A 4 19.398 5.566 9.761 1.00 0.00 N ATOM 47 CA ASP A 4 18.913 4.230 9.436 1.00 0.00 C ATOM 48 C ASP A 4 19.642 3.165 10.250 1.00 0.00 C ATOM 49 O ASP A 4 19.135 2.059 10.438 1.00 0.00 O ATOM 50 CB ASP A 4 19.077 3.955 7.943 1.00 0.00 C ATOM 51 CG ASP A 4 17.751 3.721 7.247 1.00 0.00 C ATOM 52 OD1 ASP A 4 17.146 4.706 6.773 1.00 0.00 O ATOM 53 OD2 ASP A 4 17.316 2.552 7.175 1.00 0.00 O ATOM 0 H ASP A 4 19.856 6.048 8.988 1.00 0.00 H new ATOM 0 HA ASP A 4 17.854 4.186 9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.585 4.798 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.715 3.082 7.806 1.00 0.00 H new ATOM 58 N ALA A 5 20.833 3.505 10.728 1.00 0.00 N ATOM 59 CA ALA A 5 21.632 2.579 11.521 1.00 0.00 C ATOM 60 C ALA A 5 20.930 2.215 12.825 1.00 0.00 C ATOM 61 O ALA A 5 21.226 1.186 13.434 1.00 0.00 O ATOM 62 CB ALA A 5 23.002 3.174 11.805 1.00 0.00 C ATOM 0 H ALA A 5 21.267 4.416 10.580 1.00 0.00 H new ATOM 0 HA ALA A 5 21.757 1.664 10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.588 2.472 12.398 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.515 3.371 10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 5 22.886 4.107 12.357 1.00 0.00 H new ATOM 68 N GLU A 6 20.002 3.064 13.251 1.00 0.00 N ATOM 69 CA GLU A 6 19.261 2.833 14.481 1.00 0.00 C ATOM 70 C GLU A 6 17.904 2.211 14.207 1.00 0.00 C ATOM 71 O GLU A 6 16.998 2.252 15.039 1.00 0.00 O ATOM 72 CB GLU A 6 19.078 4.140 15.232 1.00 0.00 C ATOM 73 CG GLU A 6 20.261 4.518 16.107 1.00 0.00 C ATOM 74 CD GLU A 6 19.840 5.203 17.393 1.00 0.00 C ATOM 75 OE1 GLU A 6 19.605 4.494 18.393 1.00 0.00 O ATOM 76 OE2 GLU A 6 19.745 6.448 17.398 1.00 0.00 O ATOM 0 H GLU A 6 19.746 3.920 12.760 1.00 0.00 H new ATOM 0 HA GLU A 6 19.838 2.136 15.089 1.00 0.00 H new ATOM 0 HB2 GLU A 6 18.901 4.939 14.512 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.186 4.068 15.855 1.00 0.00 H new ATOM 0 HG2 GLU A 6 20.832 3.621 16.347 1.00 0.00 H new ATOM 0 HG3 GLU A 6 20.925 5.178 15.549 1.00 0.00 H new ATOM 83 N GLY A 7 17.785 1.639 13.033 1.00 0.00 N ATOM 84 CA GLY A 7 16.547 0.998 12.624 1.00 0.00 C ATOM 85 C GLY A 7 15.347 1.918 12.742 1.00 0.00 C ATOM 86 O GLY A 7 14.248 1.474 13.076 1.00 0.00 O ATOM 0 H GLY A 7 18.530 1.602 12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.641 0.660 11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.382 0.111 13.236 1.00 0.00 H new ATOM 90 N VAL A 8 15.556 3.201 12.469 1.00 0.00 N ATOM 91 CA VAL A 8 14.482 4.184 12.548 1.00 0.00 C ATOM 92 C VAL A 8 13.330 3.823 11.615 1.00 0.00 C ATOM 93 O VAL A 8 12.193 4.246 11.823 1.00 0.00 O ATOM 94 CB VAL A 8 14.989 5.600 12.205 1.00 0.00 C ATOM 95 CG1 VAL A 8 15.517 5.652 10.779 1.00 0.00 C ATOM 96 CG2 VAL A 8 13.886 6.629 12.411 1.00 0.00 C ATOM 0 H VAL A 8 16.459 3.585 12.191 1.00 0.00 H new ATOM 0 HA VAL A 8 14.123 4.176 13.577 1.00 0.00 H new ATOM 0 HB VAL A 8 15.811 5.842 12.879 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.869 6.660 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.341 4.947 10.670 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.719 5.387 10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.263 7.621 12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.041 6.391 11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.563 6.613 13.452 1.00 0.00 H new ATOM 106 N TRP A 9 13.632 3.037 10.589 1.00 0.00 N ATOM 107 CA TRP A 9 12.629 2.615 9.627 1.00 0.00 C ATOM 108 C TRP A 9 12.878 1.181 9.172 1.00 0.00 C ATOM 109 O TRP A 9 13.698 0.933 8.288 1.00 0.00 O ATOM 110 CB TRP A 9 12.617 3.556 8.426 1.00 0.00 C ATOM 111 CG TRP A 9 11.300 4.239 8.218 1.00 0.00 C ATOM 112 CD1 TRP A 9 10.099 3.643 7.959 1.00 0.00 C ATOM 113 CD2 TRP A 9 11.050 5.649 8.252 1.00 0.00 C ATOM 114 NE1 TRP A 9 9.118 4.596 7.830 1.00 0.00 N ATOM 115 CE2 TRP A 9 9.676 5.835 8.005 1.00 0.00 C ATOM 116 CE3 TRP A 9 11.853 6.772 8.467 1.00 0.00 C ATOM 117 CZ2 TRP A 9 9.090 7.098 7.968 1.00 0.00 C ATOM 118 CZ3 TRP A 9 11.271 8.025 8.430 1.00 0.00 C ATOM 119 CH2 TRP A 9 9.901 8.179 8.182 1.00 0.00 C ATOM 0 H TRP A 9 14.569 2.679 10.404 1.00 0.00 H new ATOM 0 HA TRP A 9 11.655 2.653 10.114 1.00 0.00 H new ATOM 0 HB2 TRP A 9 13.392 4.311 8.557 1.00 0.00 H new ATOM 0 HB3 TRP A 9 12.871 2.991 7.529 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.943 2.578 7.869 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.134 4.411 7.636 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.910 6.663 8.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.034 7.220 7.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 11.883 8.900 8.595 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.476 9.172 8.159 1.00 0.00 H new ATOM 130 N SER A 10 12.165 0.239 9.781 1.00 0.00 N ATOM 131 CA SER A 10 12.307 -1.170 9.440 1.00 0.00 C ATOM 132 C SER A 10 11.800 -1.442 8.023 1.00 0.00 C ATOM 133 O SER A 10 10.599 -1.369 7.764 1.00 0.00 O ATOM 134 CB SER A 10 11.542 -2.037 10.441 1.00 0.00 C ATOM 135 OG SER A 10 12.305 -2.255 11.615 1.00 0.00 O ATOM 0 H SER A 10 11.482 0.428 10.515 1.00 0.00 H new ATOM 0 HA SER A 10 13.366 -1.424 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.600 -1.553 10.700 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.293 -2.994 9.982 1.00 0.00 H new ATOM 0 HG SER A 10 11.793 -2.810 12.239 1.00 0.00 H new ATOM 141 N PRO A 11 12.709 -1.763 7.083 1.00 0.00 N ATOM 142 CA PRO A 11 12.336 -2.045 5.693 1.00 0.00 C ATOM 143 C PRO A 11 11.567 -3.353 5.546 1.00 0.00 C ATOM 144 O PRO A 11 10.919 -3.593 4.528 1.00 0.00 O ATOM 145 CB PRO A 11 13.681 -2.131 4.973 1.00 0.00 C ATOM 146 CG PRO A 11 14.644 -2.531 6.031 1.00 0.00 C ATOM 147 CD PRO A 11 14.163 -1.876 7.295 1.00 0.00 C ATOM 0 HA PRO A 11 11.670 -1.282 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.653 -2.862 4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.955 -1.174 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.676 -3.615 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.654 -2.206 5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.396 -2.477 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.625 -0.900 7.444 1.00 0.00 H new ATOM 155 N ASP A 12 11.645 -4.196 6.569 1.00 0.00 N ATOM 156 CA ASP A 12 10.957 -5.481 6.556 1.00 0.00 C ATOM 157 C ASP A 12 9.445 -5.297 6.588 1.00 0.00 C ATOM 158 O ASP A 12 8.694 -6.170 6.153 1.00 0.00 O ATOM 159 CB ASP A 12 11.407 -6.333 7.741 1.00 0.00 C ATOM 160 CG ASP A 12 12.198 -7.553 7.311 1.00 0.00 C ATOM 161 OD1 ASP A 12 11.571 -8.578 6.971 1.00 0.00 O ATOM 162 OD2 ASP A 12 13.445 -7.483 7.314 1.00 0.00 O ATOM 0 H ASP A 12 12.178 -4.012 7.419 1.00 0.00 H new ATOM 0 HA ASP A 12 11.217 -5.992 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.017 -5.726 8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.532 -6.652 8.308 1.00 0.00 H new ATOM 167 N ILE A 13 9.007 -4.154 7.098 1.00 0.00 N ATOM 168 CA ILE A 13 7.587 -3.854 7.178 1.00 0.00 C ATOM 169 C ILE A 13 7.042 -3.499 5.809 1.00 0.00 C ATOM 170 O ILE A 13 5.951 -3.922 5.429 1.00 0.00 O ATOM 171 CB ILE A 13 7.293 -2.708 8.154 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.145 -2.839 9.420 1.00 0.00 C ATOM 173 CG2 ILE A 13 5.814 -2.676 8.505 1.00 0.00 C ATOM 174 CD1 ILE A 13 7.997 -4.177 10.113 1.00 0.00 C ATOM 0 H ILE A 13 9.615 -3.421 7.462 1.00 0.00 H new ATOM 0 HA ILE A 13 7.094 -4.752 7.551 1.00 0.00 H new ATOM 0 HB ILE A 13 7.553 -1.768 7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.193 -2.687 9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.871 -2.046 10.116 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.622 -1.857 9.198 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.228 -2.528 7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.530 -3.620 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.629 -4.199 11.001 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.957 -4.323 10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.299 -4.974 9.434 1.00 0.00 H new ATOM 186 N GLU A 14 7.825 -2.737 5.066 1.00 0.00 N ATOM 187 CA GLU A 14 7.444 -2.338 3.722 1.00 0.00 C ATOM 188 C GLU A 14 7.319 -3.567 2.832 1.00 0.00 C ATOM 189 O GLU A 14 6.624 -3.547 1.816 1.00 0.00 O ATOM 190 CB GLU A 14 8.470 -1.365 3.138 1.00 0.00 C ATOM 191 CG GLU A 14 8.491 -0.014 3.834 1.00 0.00 C ATOM 192 CD GLU A 14 9.892 0.551 3.966 1.00 0.00 C ATOM 193 OE1 GLU A 14 10.456 0.986 2.940 1.00 0.00 O ATOM 194 OE2 GLU A 14 10.425 0.560 5.096 1.00 0.00 O ATOM 0 H GLU A 14 8.731 -2.381 5.371 1.00 0.00 H new ATOM 0 HA GLU A 14 6.479 -1.833 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.461 -1.813 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.256 -1.216 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.871 0.688 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.048 -0.113 4.825 1.00 0.00 H new ATOM 201 N GLN A 15 7.995 -4.642 3.230 1.00 0.00 N ATOM 202 CA GLN A 15 7.962 -5.886 2.487 1.00 0.00 C ATOM 203 C GLN A 15 6.617 -6.567 2.638 1.00 0.00 C ATOM 204 O GLN A 15 5.937 -6.860 1.655 1.00 0.00 O ATOM 205 CB GLN A 15 9.075 -6.798 2.955 1.00 0.00 C ATOM 206 CG GLN A 15 10.332 -6.656 2.126 1.00 0.00 C ATOM 207 CD GLN A 15 10.317 -7.524 0.883 1.00 0.00 C ATOM 208 OE1 GLN A 15 9.707 -8.593 0.866 1.00 0.00 O ATOM 209 NE2 GLN A 15 10.991 -7.067 -0.166 1.00 0.00 N ATOM 0 H GLN A 15 8.574 -4.670 4.069 1.00 0.00 H new ATOM 0 HA GLN A 15 8.110 -5.664 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.305 -6.578 3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.733 -7.832 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.453 -5.613 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.196 -6.918 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.482 -6.175 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.017 -7.608 -1.030 1.00 0.00 H new ATOM 218 N SER A 16 6.232 -6.795 3.881 1.00 0.00 N ATOM 219 CA SER A 16 4.955 -7.421 4.176 1.00 0.00 C ATOM 220 C SER A 16 3.819 -6.511 3.731 1.00 0.00 C ATOM 221 O SER A 16 2.711 -6.969 3.453 1.00 0.00 O ATOM 222 CB SER A 16 4.835 -7.726 5.670 1.00 0.00 C ATOM 223 OG SER A 16 6.079 -8.142 6.207 1.00 0.00 O ATOM 0 H SER A 16 6.786 -6.556 4.703 1.00 0.00 H new ATOM 0 HA SER A 16 4.893 -8.362 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.486 -6.839 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.089 -8.505 5.827 1.00 0.00 H new ATOM 0 HG SER A 16 6.505 -7.389 6.667 1.00 0.00 H new ATOM 229 N PHE A 17 4.113 -5.218 3.654 1.00 0.00 N ATOM 230 CA PHE A 17 3.133 -4.237 3.230 1.00 0.00 C ATOM 231 C PHE A 17 2.860 -4.374 1.743 1.00 0.00 C ATOM 232 O PHE A 17 1.739 -4.159 1.284 1.00 0.00 O ATOM 233 CB PHE A 17 3.616 -2.825 3.552 1.00 0.00 C ATOM 234 CG PHE A 17 2.737 -2.093 4.525 1.00 0.00 C ATOM 235 CD1 PHE A 17 1.359 -2.112 4.386 1.00 0.00 C ATOM 236 CD2 PHE A 17 3.291 -1.383 5.578 1.00 0.00 C ATOM 237 CE1 PHE A 17 0.549 -1.438 5.280 1.00 0.00 C ATOM 238 CE2 PHE A 17 2.486 -0.706 6.475 1.00 0.00 C ATOM 239 CZ PHE A 17 1.114 -0.733 6.325 1.00 0.00 C ATOM 0 H PHE A 17 5.028 -4.828 3.882 1.00 0.00 H new ATOM 0 HA PHE A 17 2.206 -4.417 3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.626 -2.880 3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.676 -2.251 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.912 -2.660 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.364 -1.358 5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.524 -1.462 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.930 -0.157 7.292 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.483 -0.204 7.024 1.00 0.00 H new ATOM 249 N GLN A 18 3.891 -4.747 0.995 1.00 0.00 N ATOM 250 CA GLN A 18 3.752 -4.926 -0.442 1.00 0.00 C ATOM 251 C GLN A 18 2.728 -6.005 -0.737 1.00 0.00 C ATOM 252 O GLN A 18 1.973 -5.918 -1.703 1.00 0.00 O ATOM 253 CB GLN A 18 5.089 -5.292 -1.089 1.00 0.00 C ATOM 254 CG GLN A 18 4.941 -5.858 -2.495 1.00 0.00 C ATOM 255 CD GLN A 18 6.253 -5.895 -3.253 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.934 -6.920 -3.290 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.616 -4.772 -3.864 1.00 0.00 N ATOM 0 H GLN A 18 4.826 -4.930 1.358 1.00 0.00 H new ATOM 0 HA GLN A 18 3.415 -3.980 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.722 -4.405 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.600 -6.023 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.533 -6.867 -2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.222 -5.256 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.021 -3.945 -3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.489 -4.737 -4.390 1.00 0.00 H new ATOM 266 N GLU A 19 2.710 -7.023 0.107 1.00 0.00 N ATOM 267 CA GLU A 19 1.774 -8.123 -0.060 1.00 0.00 C ATOM 268 C GLU A 19 0.350 -7.618 0.040 1.00 0.00 C ATOM 269 O GLU A 19 -0.450 -7.796 -0.876 1.00 0.00 O ATOM 270 CB GLU A 19 2.031 -9.214 0.977 1.00 0.00 C ATOM 271 CG GLU A 19 2.417 -10.552 0.368 1.00 0.00 C ATOM 272 CD GLU A 19 3.910 -10.809 0.422 1.00 0.00 C ATOM 273 OE1 GLU A 19 4.640 -10.247 -0.422 1.00 0.00 O ATOM 274 OE2 GLU A 19 4.350 -11.571 1.308 1.00 0.00 O ATOM 0 H GLU A 19 3.330 -7.111 0.912 1.00 0.00 H new ATOM 0 HA GLU A 19 1.922 -8.555 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.825 -8.887 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.135 -9.345 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.895 -11.351 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.084 -10.584 -0.669 1.00 0.00 H new ATOM 281 N ALA A 20 0.052 -6.967 1.148 1.00 0.00 N ATOM 282 CA ALA A 20 -1.271 -6.408 1.365 1.00 0.00 C ATOM 283 C ALA A 20 -1.535 -5.277 0.380 1.00 0.00 C ATOM 284 O ALA A 20 -2.684 -4.955 0.078 1.00 0.00 O ATOM 285 CB ALA A 20 -1.413 -5.915 2.797 1.00 0.00 C ATOM 0 H ALA A 20 0.708 -6.811 1.913 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.011 -7.191 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.410 -5.499 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.263 -6.747 3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.667 -5.145 2.992 1.00 0.00 H new ATOM 291 N LEU A 21 -0.457 -4.685 -0.122 1.00 0.00 N ATOM 292 CA LEU A 21 -0.553 -3.598 -1.078 1.00 0.00 C ATOM 293 C LEU A 21 -0.864 -4.134 -2.464 1.00 0.00 C ATOM 294 O LEU A 21 -1.703 -3.591 -3.183 1.00 0.00 O ATOM 295 CB LEU A 21 0.741 -2.799 -1.095 1.00 0.00 C ATOM 296 CG LEU A 21 0.759 -1.575 -0.177 1.00 0.00 C ATOM 297 CD1 LEU A 21 2.089 -1.470 0.554 1.00 0.00 C ATOM 298 CD2 LEU A 21 0.486 -0.311 -0.974 1.00 0.00 C ATOM 0 H LEU A 21 0.499 -4.945 0.122 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.367 -2.939 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.561 -3.459 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.934 -2.471 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.029 -1.692 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.080 -0.593 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.244 -2.365 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.897 -1.377 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.502 0.551 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.252 -0.191 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.493 -0.384 -1.448 1.00 0.00 H new ATOM 310 N SER A 22 -0.194 -5.218 -2.821 1.00 0.00 N ATOM 311 CA SER A 22 -0.406 -5.853 -4.109 1.00 0.00 C ATOM 312 C SER A 22 -1.737 -6.586 -4.099 1.00 0.00 C ATOM 313 O SER A 22 -2.426 -6.682 -5.115 1.00 0.00 O ATOM 314 CB SER A 22 0.733 -6.825 -4.422 1.00 0.00 C ATOM 315 OG SER A 22 0.500 -8.095 -3.835 1.00 0.00 O ATOM 0 H SER A 22 0.503 -5.677 -2.234 1.00 0.00 H new ATOM 0 HA SER A 22 -0.423 -5.087 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.835 -6.934 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.674 -6.418 -4.052 1.00 0.00 H new ATOM 0 HG SER A 22 0.298 -7.983 -2.883 1.00 0.00 H new ATOM 321 N ILE A 23 -2.085 -7.094 -2.927 1.00 0.00 N ATOM 322 CA ILE A 23 -3.325 -7.819 -2.732 1.00 0.00 C ATOM 323 C ILE A 23 -4.516 -6.862 -2.615 1.00 0.00 C ATOM 324 O ILE A 23 -5.670 -7.287 -2.692 1.00 0.00 O ATOM 325 CB ILE A 23 -3.231 -8.709 -1.477 1.00 0.00 C ATOM 326 CG1 ILE A 23 -2.792 -10.124 -1.860 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.543 -8.746 -0.709 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.820 -10.876 -2.676 1.00 0.00 C ATOM 0 H ILE A 23 -1.514 -7.014 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.486 -8.451 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.481 -8.271 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.862 -10.066 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.578 -10.688 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.433 -9.384 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.808 -7.737 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.329 -9.143 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.441 -11.871 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.744 -10.965 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.017 -10.335 -3.601 1.00 0.00 H new ATOM 340 N TYR A 24 -4.234 -5.573 -2.418 1.00 0.00 N ATOM 341 CA TYR A 24 -5.284 -4.573 -2.281 1.00 0.00 C ATOM 342 C TYR A 24 -5.287 -3.569 -3.438 1.00 0.00 C ATOM 343 O TYR A 24 -4.835 -2.435 -3.279 1.00 0.00 O ATOM 344 CB TYR A 24 -5.130 -3.824 -0.962 1.00 0.00 C ATOM 345 CG TYR A 24 -5.468 -4.634 0.272 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.181 -5.826 0.188 1.00 0.00 C ATOM 347 CD2 TYR A 24 -5.066 -4.200 1.528 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.482 -6.558 1.321 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.362 -4.927 2.664 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.070 -6.105 2.557 1.00 0.00 C ATOM 351 OH TYR A 24 -6.367 -6.834 3.687 1.00 0.00 O ATOM 0 H TYR A 24 -3.287 -5.201 -2.350 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.234 -5.106 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.102 -3.472 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.768 -2.941 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.504 -6.185 -0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.512 -3.277 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.037 -7.481 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.040 -4.574 3.633 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.005 -6.378 4.475 1.00 0.00 H new ATOM 361 N PRO A 25 -5.804 -3.962 -4.618 1.00 0.00 N ATOM 362 CA PRO A 25 -5.875 -3.101 -5.784 1.00 0.00 C ATOM 363 C PRO A 25 -7.239 -2.425 -5.917 1.00 0.00 C ATOM 364 O PRO A 25 -8.223 -3.074 -6.271 1.00 0.00 O ATOM 365 CB PRO A 25 -5.660 -4.086 -6.926 1.00 0.00 C ATOM 366 CG PRO A 25 -6.162 -5.403 -6.419 1.00 0.00 C ATOM 367 CD PRO A 25 -6.370 -5.276 -4.925 1.00 0.00 C ATOM 0 HA PRO A 25 -5.155 -2.283 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.203 -3.776 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.606 -4.146 -7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.096 -5.671 -6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.446 -6.195 -6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.426 -5.331 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.862 -6.071 -4.379 1.00 0.00 H new ATOM 375 N PRO A 26 -7.326 -1.114 -5.631 1.00 0.00 N ATOM 376 CA PRO A 26 -8.584 -0.374 -5.719 1.00 0.00 C ATOM 377 C PRO A 26 -8.950 -0.018 -7.152 1.00 0.00 C ATOM 378 O PRO A 26 -9.905 -0.552 -7.716 1.00 0.00 O ATOM 379 CB PRO A 26 -8.322 0.900 -4.901 1.00 0.00 C ATOM 380 CG PRO A 26 -6.931 0.774 -4.355 1.00 0.00 C ATOM 381 CD PRO A 26 -6.227 -0.251 -5.197 1.00 0.00 C ATOM 0 HA PRO A 26 -9.422 -0.965 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -8.415 1.788 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.048 1.000 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.411 1.731 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.952 0.467 -3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.710 0.204 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.480 -0.802 -4.625 1.00 0.00 H new ATOM 389 N CYS A 27 -8.178 0.882 -7.733 1.00 0.00 N ATOM 390 CA CYS A 27 -8.399 1.317 -9.101 1.00 0.00 C ATOM 391 C CYS A 27 -7.149 1.982 -9.671 1.00 0.00 C ATOM 392 O CYS A 27 -7.095 3.203 -9.817 1.00 0.00 O ATOM 393 CB CYS A 27 -9.585 2.274 -9.163 1.00 0.00 C ATOM 394 SG CYS A 27 -10.811 1.854 -10.424 1.00 0.00 S ATOM 0 H CYS A 27 -7.385 1.330 -7.274 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.621 0.439 -9.708 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.074 2.293 -8.189 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.215 3.281 -9.353 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.778 2.723 -10.396 1.00 0.00 H new ATOM 400 N GLY A 28 -6.144 1.174 -9.989 1.00 0.00 N ATOM 401 CA GLY A 28 -4.908 1.705 -10.538 1.00 0.00 C ATOM 402 C GLY A 28 -3.987 2.280 -9.475 1.00 0.00 C ATOM 403 O GLY A 28 -2.777 2.057 -9.511 1.00 0.00 O ATOM 0 H GLY A 28 -6.162 0.160 -9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.385 0.913 -11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.144 2.481 -11.266 1.00 0.00 H new ATOM 407 N ARG A 29 -4.557 3.020 -8.527 1.00 0.00 N ATOM 408 CA ARG A 29 -3.780 3.623 -7.455 1.00 0.00 C ATOM 409 C ARG A 29 -4.647 3.852 -6.221 1.00 0.00 C ATOM 410 O ARG A 29 -5.828 3.502 -6.207 1.00 0.00 O ATOM 411 CB ARG A 29 -3.171 4.949 -7.918 1.00 0.00 C ATOM 412 CG ARG A 29 -2.096 4.789 -8.980 1.00 0.00 C ATOM 413 CD ARG A 29 -1.578 6.137 -9.454 1.00 0.00 C ATOM 414 NE ARG A 29 -2.616 6.921 -10.119 1.00 0.00 N ATOM 415 CZ ARG A 29 -3.051 6.679 -11.353 1.00 0.00 C ATOM 416 NH1 ARG A 29 -2.541 5.678 -12.060 1.00 0.00 N ATOM 417 NH2 ARG A 29 -3.999 7.440 -11.883 1.00 0.00 N ATOM 0 H ARG A 29 -5.557 3.215 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.976 2.936 -7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.964 5.586 -8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.745 5.463 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.271 4.201 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.499 4.234 -9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.191 6.696 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.745 5.984 -10.140 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.032 7.699 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.812 5.089 -11.658 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.879 5.497 -13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.395 8.211 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.332 7.255 -12.829 1.00 0.00 H new ATOM 431 N ARG A 30 -4.056 4.440 -5.187 1.00 0.00 N ATOM 432 CA ARG A 30 -4.776 4.714 -3.950 1.00 0.00 C ATOM 433 C ARG A 30 -5.905 5.713 -4.186 1.00 0.00 C ATOM 434 O ARG A 30 -5.724 6.919 -4.016 1.00 0.00 O ATOM 435 CB ARG A 30 -3.819 5.251 -2.885 1.00 0.00 C ATOM 436 CG ARG A 30 -3.049 6.487 -3.326 1.00 0.00 C ATOM 437 CD ARG A 30 -3.066 7.568 -2.257 1.00 0.00 C ATOM 438 NE ARG A 30 -4.015 8.633 -2.571 1.00 0.00 N ATOM 439 CZ ARG A 30 -4.053 9.803 -1.937 1.00 0.00 C ATOM 440 NH1 ARG A 30 -3.197 10.062 -0.956 1.00 0.00 N ATOM 441 NH2 ARG A 30 -4.949 10.717 -2.285 1.00 0.00 N ATOM 0 H ARG A 30 -3.080 4.736 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.211 3.778 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.386 5.488 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.110 4.468 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.018 6.213 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.483 6.878 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.325 7.124 -1.296 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.067 7.991 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.688 8.471 -3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.506 9.363 -0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.231 10.960 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.609 10.523 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.978 11.613 -1.799 1.00 0.00 H new ATOM 455 N LYS A 31 -7.069 5.204 -4.575 1.00 0.00 N ATOM 456 CA LYS A 31 -8.224 6.049 -4.829 1.00 0.00 C ATOM 457 C LYS A 31 -9.523 5.302 -4.544 1.00 0.00 C ATOM 458 O LYS A 31 -10.039 4.585 -5.401 1.00 0.00 O ATOM 459 CB LYS A 31 -8.212 6.547 -6.276 1.00 0.00 C ATOM 460 CG LYS A 31 -7.467 7.859 -6.461 1.00 0.00 C ATOM 461 CD LYS A 31 -8.051 8.674 -7.604 1.00 0.00 C ATOM 462 CE LYS A 31 -7.009 9.593 -8.222 1.00 0.00 C ATOM 463 NZ LYS A 31 -7.251 9.809 -9.675 1.00 0.00 N ATOM 0 H LYS A 31 -7.235 4.208 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.168 6.906 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.755 5.787 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.240 6.671 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.513 8.438 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.414 7.656 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.444 8.003 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.890 9.267 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.020 10.553 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.017 9.165 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.519 10.441 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.216 8.896 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.187 10.241 -9.811 1.00 0.00 H new ATOM 477 N ILE A 32 -10.046 5.475 -3.335 1.00 0.00 N ATOM 478 CA ILE A 32 -11.282 4.819 -2.935 1.00 0.00 C ATOM 479 C ILE A 32 -12.484 5.430 -3.652 1.00 0.00 C ATOM 480 O ILE A 32 -12.540 6.642 -3.864 1.00 0.00 O ATOM 481 CB ILE A 32 -11.495 4.906 -1.409 1.00 0.00 C ATOM 482 CG1 ILE A 32 -12.660 4.011 -0.980 1.00 0.00 C ATOM 483 CG2 ILE A 32 -11.736 6.347 -0.981 1.00 0.00 C ATOM 484 CD1 ILE A 32 -12.218 2.705 -0.355 1.00 0.00 C ATOM 0 H ILE A 32 -9.631 6.066 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.194 3.770 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.590 4.553 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.282 4.554 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.283 3.797 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.884 6.386 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.873 6.956 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.624 6.732 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.094 2.121 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.621 2.142 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.620 2.911 0.533 1.00 0.00 H new ATOM 496 N ILE A 33 -13.441 4.586 -4.026 1.00 0.00 N ATOM 497 CA ILE A 33 -14.633 5.043 -4.717 1.00 0.00 C ATOM 498 C ILE A 33 -15.901 4.578 -4.006 1.00 0.00 C ATOM 499 O ILE A 33 -16.212 3.387 -3.984 1.00 0.00 O ATOM 500 CB ILE A 33 -14.659 4.552 -6.180 1.00 0.00 C ATOM 501 CG1 ILE A 33 -15.869 5.131 -6.917 1.00 0.00 C ATOM 502 CG2 ILE A 33 -14.678 3.031 -6.231 1.00 0.00 C ATOM 503 CD1 ILE A 33 -15.922 6.643 -6.900 1.00 0.00 C ATOM 0 H ILE A 33 -13.410 3.580 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.602 6.133 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 33 -13.754 4.901 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -15.852 4.788 -7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.780 4.739 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -14.696 2.702 -7.270 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.786 2.639 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -15.565 2.661 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.805 6.982 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.971 6.994 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.028 7.044 -7.378 1.00 0.00 H new ATOM 515 N LEU A 34 -16.629 5.527 -3.426 1.00 0.00 N ATOM 516 CA LEU A 34 -17.859 5.222 -2.715 1.00 0.00 C ATOM 517 C LEU A 34 -19.074 5.781 -3.449 1.00 0.00 C ATOM 518 O LEU A 34 -20.181 5.258 -3.327 1.00 0.00 O ATOM 519 CB LEU A 34 -17.802 5.777 -1.293 1.00 0.00 C ATOM 520 CG LEU A 34 -17.898 4.729 -0.182 1.00 0.00 C ATOM 521 CD1 LEU A 34 -16.963 5.078 0.965 1.00 0.00 C ATOM 522 CD2 LEU A 34 -19.331 4.611 0.315 1.00 0.00 C ATOM 0 H LEU A 34 -16.384 6.517 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.960 4.138 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.869 6.328 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.614 6.493 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.594 3.765 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.046 4.321 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.936 5.112 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.236 6.051 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.382 3.862 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.661 5.573 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.979 4.313 -0.510 1.00 0.00 H new ATOM 534 N SER A 35 -18.859 6.847 -4.208 1.00 0.00 N ATOM 535 CA SER A 35 -19.936 7.480 -4.960 1.00 0.00 C ATOM 536 C SER A 35 -20.582 6.496 -5.931 1.00 0.00 C ATOM 537 O SER A 35 -21.719 6.691 -6.363 1.00 0.00 O ATOM 538 CB SER A 35 -19.407 8.698 -5.722 1.00 0.00 C ATOM 539 OG SER A 35 -17.990 8.694 -5.774 1.00 0.00 O ATOM 0 H SER A 35 -17.948 7.292 -4.320 1.00 0.00 H new ATOM 0 HA SER A 35 -20.696 7.806 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.811 8.700 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 35 -19.753 9.611 -5.238 1.00 0.00 H new ATOM 0 HG SER A 35 -17.679 9.481 -6.267 1.00 0.00 H new ATOM 545 N ASP A 36 -19.851 5.442 -6.274 1.00 0.00 N ATOM 546 CA ASP A 36 -20.348 4.434 -7.193 1.00 0.00 C ATOM 547 C ASP A 36 -20.816 3.188 -6.446 1.00 0.00 C ATOM 548 O ASP A 36 -21.995 2.838 -6.480 1.00 0.00 O ATOM 549 CB ASP A 36 -19.264 4.062 -8.207 1.00 0.00 C ATOM 550 CG ASP A 36 -19.485 4.719 -9.556 1.00 0.00 C ATOM 551 OD1 ASP A 36 -19.446 5.965 -9.622 1.00 0.00 O ATOM 552 OD2 ASP A 36 -19.696 3.986 -10.545 1.00 0.00 O ATOM 0 H ASP A 36 -18.909 5.266 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 36 -21.204 4.854 -7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -18.289 4.357 -7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -19.243 2.979 -8.332 1.00 0.00 H new ATOM 557 N GLU A 37 -19.882 2.518 -5.778 1.00 0.00 N ATOM 558 CA GLU A 37 -20.196 1.307 -5.031 1.00 0.00 C ATOM 559 C GLU A 37 -21.077 1.610 -3.825 1.00 0.00 C ATOM 560 O GLU A 37 -21.939 0.813 -3.455 1.00 0.00 O ATOM 561 CB GLU A 37 -18.912 0.612 -4.583 1.00 0.00 C ATOM 562 CG GLU A 37 -18.734 -0.774 -5.175 1.00 0.00 C ATOM 563 CD GLU A 37 -17.487 -0.890 -6.031 1.00 0.00 C ATOM 564 OE1 GLU A 37 -17.404 -0.183 -7.057 1.00 0.00 O ATOM 565 OE2 GLU A 37 -16.595 -1.688 -5.675 1.00 0.00 O ATOM 0 H GLU A 37 -18.901 2.794 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 37 -20.750 0.641 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.058 1.230 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -18.910 0.537 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.685 -1.505 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.608 -1.022 -5.778 1.00 0.00 H new ATOM 572 N GLY A 38 -20.851 2.764 -3.218 1.00 0.00 N ATOM 573 CA GLY A 38 -21.626 3.159 -2.060 1.00 0.00 C ATOM 574 C GLY A 38 -21.146 2.507 -0.775 1.00 0.00 C ATOM 575 O GLY A 38 -21.642 2.820 0.307 1.00 0.00 O ATOM 0 H GLY A 38 -20.142 3.437 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -21.579 4.243 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.672 2.900 -2.224 1.00 0.00 H new ATOM 579 N LYS A 39 -20.167 1.612 -0.888 1.00 0.00 N ATOM 580 CA LYS A 39 -19.611 0.936 0.264 1.00 0.00 C ATOM 581 C LYS A 39 -18.128 0.680 0.048 1.00 0.00 C ATOM 582 O LYS A 39 -17.733 -0.354 -0.489 1.00 0.00 O ATOM 583 CB LYS A 39 -20.344 -0.382 0.522 1.00 0.00 C ATOM 584 CG LYS A 39 -21.711 -0.203 1.162 1.00 0.00 C ATOM 585 CD LYS A 39 -22.561 -1.455 1.020 1.00 0.00 C ATOM 586 CE LYS A 39 -24.031 -1.113 0.839 1.00 0.00 C ATOM 587 NZ LYS A 39 -24.705 -2.043 -0.109 1.00 0.00 N ATOM 0 H LYS A 39 -19.745 1.342 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 39 -19.738 1.575 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.461 -0.914 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -19.729 -1.010 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -21.591 0.038 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.223 0.640 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -22.214 -2.037 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -22.438 -2.081 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.534 -1.152 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -24.123 -0.091 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -25.706 -1.776 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -24.241 -1.988 -1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -24.640 -3.016 0.253 1.00 0.00 H new ATOM 601 N MET A 40 -17.316 1.630 0.477 1.00 0.00 N ATOM 602 CA MET A 40 -15.876 1.527 0.345 1.00 0.00 C ATOM 603 C MET A 40 -15.178 2.252 1.488 1.00 0.00 C ATOM 604 O MET A 40 -14.822 3.425 1.371 1.00 0.00 O ATOM 605 CB MET A 40 -15.420 2.096 -1.001 1.00 0.00 C ATOM 606 CG MET A 40 -14.422 1.211 -1.729 1.00 0.00 C ATOM 607 SD MET A 40 -15.220 0.001 -2.802 1.00 0.00 S ATOM 608 CE MET A 40 -14.331 0.270 -4.334 1.00 0.00 C ATOM 0 H MET A 40 -17.635 2.489 0.924 1.00 0.00 H new ATOM 0 HA MET A 40 -15.604 0.472 0.388 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.292 2.245 -1.637 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.973 3.077 -0.839 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.756 1.835 -2.324 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.803 0.690 -0.998 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.041 0.465 -5.137 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.665 1.126 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.745 -0.617 -4.575 1.00 0.00 H new ATOM 618 N TYR A 41 -14.985 1.544 2.591 1.00 0.00 N ATOM 619 CA TYR A 41 -14.331 2.111 3.761 1.00 0.00 C ATOM 620 C TYR A 41 -12.847 2.353 3.483 1.00 0.00 C ATOM 621 O TYR A 41 -12.318 1.908 2.465 1.00 0.00 O ATOM 622 CB TYR A 41 -14.529 1.184 4.972 1.00 0.00 C ATOM 623 CG TYR A 41 -13.254 0.605 5.547 1.00 0.00 C ATOM 624 CD1 TYR A 41 -12.547 1.281 6.531 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.762 -0.617 5.106 1.00 0.00 C ATOM 626 CE1 TYR A 41 -11.383 0.757 7.061 1.00 0.00 C ATOM 627 CE2 TYR A 41 -11.600 -1.149 5.632 1.00 0.00 C ATOM 628 CZ TYR A 41 -10.914 -0.459 6.609 1.00 0.00 C ATOM 629 OH TYR A 41 -9.757 -0.985 7.134 1.00 0.00 O ATOM 0 H TYR A 41 -15.273 0.572 2.700 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.785 3.075 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.044 1.739 5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.184 0.363 4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.912 2.232 6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.296 -1.160 4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.843 1.297 7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.231 -2.101 5.279 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.691 -1.933 6.895 1.00 0.00 H new ATOM 639 N GLY A 42 -12.184 3.062 4.392 1.00 0.00 N ATOM 640 CA GLY A 42 -10.771 3.352 4.221 1.00 0.00 C ATOM 641 C GLY A 42 -9.947 2.106 3.959 1.00 0.00 C ATOM 642 O GLY A 42 -9.642 1.349 4.880 1.00 0.00 O ATOM 0 H GLY A 42 -12.599 3.441 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.645 4.048 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.395 3.850 5.115 1.00 0.00 H new ATOM 646 N ARG A 43 -9.588 1.894 2.697 1.00 0.00 N ATOM 647 CA ARG A 43 -8.798 0.732 2.311 1.00 0.00 C ATOM 648 C ARG A 43 -7.426 0.753 2.974 1.00 0.00 C ATOM 649 O ARG A 43 -6.807 -0.292 3.178 1.00 0.00 O ATOM 650 CB ARG A 43 -8.647 0.675 0.792 1.00 0.00 C ATOM 651 CG ARG A 43 -9.286 -0.551 0.162 1.00 0.00 C ATOM 652 CD ARG A 43 -8.702 -0.841 -1.211 1.00 0.00 C ATOM 653 NE ARG A 43 -8.613 -2.275 -1.477 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.659 -3.038 -1.785 1.00 0.00 C ATOM 655 NH1 ARG A 43 -10.874 -2.509 -1.867 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.490 -4.333 -2.013 1.00 0.00 N ATOM 0 H ARG A 43 -9.832 2.513 1.924 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.325 -0.160 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.092 1.570 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.587 0.692 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.138 -1.414 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.362 -0.398 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.320 -0.368 -1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.709 -0.397 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.695 -2.717 -1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.009 -1.513 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.672 -3.099 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.559 -4.744 -1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.291 -4.918 -2.249 1.00 0.00 H new ATOM 670 N ASN A 44 -6.957 1.947 3.310 1.00 0.00 N ATOM 671 CA ASN A 44 -5.657 2.103 3.951 1.00 0.00 C ATOM 672 C ASN A 44 -5.634 1.402 5.301 1.00 0.00 C ATOM 673 O ASN A 44 -4.608 0.866 5.720 1.00 0.00 O ATOM 674 CB ASN A 44 -5.317 3.582 4.115 1.00 0.00 C ATOM 675 CG ASN A 44 -4.069 3.978 3.350 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.646 3.282 2.427 1.00 0.00 O ATOM 677 ND2 ASN A 44 -3.472 5.101 3.731 1.00 0.00 N ATOM 0 H ASN A 44 -7.457 2.822 3.150 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.904 1.641 3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.157 4.185 3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.177 3.804 5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.628 5.417 3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.857 5.647 4.501 1.00 0.00 H new ATOM 684 N GLU A 45 -6.775 1.406 5.971 1.00 0.00 N ATOM 685 CA GLU A 45 -6.899 0.764 7.272 1.00 0.00 C ATOM 686 C GLU A 45 -6.799 -0.750 7.133 1.00 0.00 C ATOM 687 O GLU A 45 -6.412 -1.449 8.069 1.00 0.00 O ATOM 688 CB GLU A 45 -8.225 1.145 7.932 1.00 0.00 C ATOM 689 CG GLU A 45 -8.132 2.377 8.817 1.00 0.00 C ATOM 690 CD GLU A 45 -9.472 3.061 9.007 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.837 3.899 8.155 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.156 2.760 10.007 1.00 0.00 O ATOM 0 H GLU A 45 -7.631 1.847 5.635 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.081 1.111 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.970 1.321 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.579 0.305 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.733 2.091 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.427 3.083 8.378 1.00 0.00 H new ATOM 699 N LEU A 46 -7.148 -1.247 5.952 1.00 0.00 N ATOM 700 CA LEU A 46 -7.099 -2.673 5.673 1.00 0.00 C ATOM 701 C LEU A 46 -5.660 -3.147 5.542 1.00 0.00 C ATOM 702 O LEU A 46 -5.275 -4.176 6.098 1.00 0.00 O ATOM 703 CB LEU A 46 -7.875 -2.988 4.395 1.00 0.00 C ATOM 704 CG LEU A 46 -9.106 -3.876 4.582 1.00 0.00 C ATOM 705 CD1 LEU A 46 -10.111 -3.631 3.467 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.703 -5.341 4.624 1.00 0.00 C ATOM 0 H LEU A 46 -7.470 -0.677 5.169 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.561 -3.201 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.190 -2.049 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.200 -3.474 3.690 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.576 -3.621 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.981 -4.271 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.422 -2.586 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.651 -3.860 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.591 -5.959 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.211 -5.610 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.018 -5.506 5.455 1.00 0.00 H new ATOM 718 N ILE A 47 -4.876 -2.384 4.801 1.00 0.00 N ATOM 719 CA ILE A 47 -3.472 -2.708 4.582 1.00 0.00 C ATOM 720 C ILE A 47 -2.667 -2.533 5.861 1.00 0.00 C ATOM 721 O ILE A 47 -1.642 -3.188 6.056 1.00 0.00 O ATOM 722 CB ILE A 47 -2.831 -1.865 3.449 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.853 -0.912 2.810 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.232 -2.785 2.398 1.00 0.00 C ATOM 725 CD1 ILE A 47 -3.329 -0.164 1.602 1.00 0.00 C ATOM 0 H ILE A 47 -5.187 -1.531 4.337 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.447 -3.753 4.273 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.040 -1.254 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.733 -1.484 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.178 -0.189 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.783 -2.187 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.468 -3.412 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.015 -3.416 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.110 0.487 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.467 0.437 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.031 -0.877 0.833 1.00 0.00 H new ATOM 737 N ALA A 48 -3.141 -1.659 6.736 1.00 0.00 N ATOM 738 CA ALA A 48 -2.472 -1.414 8.001 1.00 0.00 C ATOM 739 C ALA A 48 -2.853 -2.471 9.027 1.00 0.00 C ATOM 740 O ALA A 48 -2.132 -2.697 9.999 1.00 0.00 O ATOM 741 CB ALA A 48 -2.793 -0.019 8.515 1.00 0.00 C ATOM 0 H ALA A 48 -3.987 -1.108 6.591 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.396 -1.477 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.282 0.146 9.464 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.458 0.722 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.869 0.076 8.661 1.00 0.00 H new ATOM 747 N ARG A 49 -3.981 -3.133 8.797 1.00 0.00 N ATOM 748 CA ARG A 49 -4.435 -4.181 9.691 1.00 0.00 C ATOM 749 C ARG A 49 -3.651 -5.458 9.426 1.00 0.00 C ATOM 750 O ARG A 49 -3.461 -6.284 10.317 1.00 0.00 O ATOM 751 CB ARG A 49 -5.934 -4.431 9.515 1.00 0.00 C ATOM 752 CG ARG A 49 -6.803 -3.584 10.430 1.00 0.00 C ATOM 753 CD ARG A 49 -8.069 -4.321 10.836 1.00 0.00 C ATOM 754 NE ARG A 49 -9.215 -3.934 10.017 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.478 -4.206 10.334 1.00 0.00 C ATOM 756 NH1 ARG A 49 -10.763 -4.865 11.451 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.461 -3.818 9.533 1.00 0.00 N ATOM 0 H ARG A 49 -4.594 -2.960 8.000 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.263 -3.863 10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.208 -4.231 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.143 -5.484 9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.237 -3.312 11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.068 -2.655 9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.907 -5.395 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.287 -4.116 11.884 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.036 -3.425 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.011 -5.166 12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.733 -5.070 11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.249 -3.311 8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.429 -4.027 9.776 1.00 0.00 H new ATOM 771 N TYR A 50 -3.183 -5.597 8.190 1.00 0.00 N ATOM 772 CA TYR A 50 -2.400 -6.754 7.793 1.00 0.00 C ATOM 773 C TYR A 50 -1.050 -6.739 8.478 1.00 0.00 C ATOM 774 O TYR A 50 -0.645 -7.712 9.115 1.00 0.00 O ATOM 775 CB TYR A 50 -2.205 -6.767 6.287 1.00 0.00 C ATOM 776 CG TYR A 50 -1.879 -8.132 5.727 1.00 0.00 C ATOM 777 CD1 TYR A 50 -2.878 -9.070 5.494 1.00 0.00 C ATOM 778 CD2 TYR A 50 -0.568 -8.482 5.431 1.00 0.00 C ATOM 779 CE1 TYR A 50 -2.578 -10.318 4.983 1.00 0.00 C ATOM 780 CE2 TYR A 50 -0.260 -9.727 4.920 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.268 -10.642 4.697 1.00 0.00 C ATOM 782 OH TYR A 50 -0.965 -11.884 4.188 1.00 0.00 O ATOM 0 H TYR A 50 -3.335 -4.917 7.445 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.941 -7.652 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.112 -6.395 5.809 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.402 -6.077 6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.905 -8.819 5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.224 -7.768 5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.365 -11.036 4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.765 -9.983 4.696 1.00 0.00 H new ATOM 0 HH TYR A 50 0.002 -11.950 4.041 1.00 0.00 H new ATOM 792 N ILE A 51 -0.363 -5.621 8.342 1.00 0.00 N ATOM 793 CA ILE A 51 0.944 -5.452 8.945 1.00 0.00 C ATOM 794 C ILE A 51 0.855 -5.555 10.458 1.00 0.00 C ATOM 795 O ILE A 51 1.749 -6.091 11.113 1.00 0.00 O ATOM 796 CB ILE A 51 1.570 -4.099 8.565 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.502 -3.006 8.469 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.338 -4.219 7.257 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.904 -1.709 9.135 1.00 0.00 C ATOM 0 H ILE A 51 -0.692 -4.812 7.815 1.00 0.00 H new ATOM 0 HA ILE A 51 1.580 -6.250 8.563 1.00 0.00 H new ATOM 0 HB ILE A 51 2.269 -3.814 9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.284 -2.813 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.420 -3.369 8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.775 -3.254 7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.131 -4.958 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.659 -4.531 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.100 -0.981 9.028 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.094 -1.887 10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.808 -1.323 8.664 1.00 0.00 H new ATOM 811 N LYS A 52 -0.237 -5.043 11.000 1.00 0.00 N ATOM 812 CA LYS A 52 -0.466 -5.074 12.436 1.00 0.00 C ATOM 813 C LYS A 52 -0.739 -6.497 12.911 1.00 0.00 C ATOM 814 O LYS A 52 -0.477 -6.839 14.064 1.00 0.00 O ATOM 815 CB LYS A 52 -1.637 -4.164 12.810 1.00 0.00 C ATOM 816 CG LYS A 52 -1.525 -3.568 14.204 1.00 0.00 C ATOM 817 CD LYS A 52 -1.775 -4.614 15.278 1.00 0.00 C ATOM 818 CE LYS A 52 -2.329 -3.987 16.547 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.388 -2.993 17.133 1.00 0.00 N ATOM 0 H LYS A 52 -0.983 -4.599 10.465 1.00 0.00 H new ATOM 0 HA LYS A 52 0.435 -4.711 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.704 -3.355 12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.564 -4.733 12.741 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.533 -3.137 14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.243 -2.755 14.312 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.475 -5.361 14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.844 -5.135 15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.279 -3.501 16.326 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.533 -4.769 17.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.748 -2.677 18.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.453 -3.431 17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.305 -2.176 16.495 1.00 0.00 H new ATOM 833 N LEU A 53 -1.266 -7.320 12.013 1.00 0.00 N ATOM 834 CA LEU A 53 -1.577 -8.704 12.334 1.00 0.00 C ATOM 835 C LEU A 53 -0.356 -9.603 12.149 1.00 0.00 C ATOM 836 O LEU A 53 -0.285 -10.693 12.716 1.00 0.00 O ATOM 837 CB LEU A 53 -2.734 -9.203 11.463 1.00 0.00 C ATOM 838 CG LEU A 53 -3.993 -9.610 12.232 1.00 0.00 C ATOM 839 CD1 LEU A 53 -5.242 -9.189 11.473 1.00 0.00 C ATOM 840 CD2 LEU A 53 -4.001 -11.110 12.485 1.00 0.00 C ATOM 0 H LEU A 53 -1.487 -7.050 11.054 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.874 -8.747 13.382 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.998 -8.420 10.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.389 -10.058 10.882 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.989 -9.099 13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.127 -9.487 12.035 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.242 -8.107 11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.254 -9.671 10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.903 -11.382 13.033 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.981 -11.640 11.533 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.124 -11.385 13.071 1.00 0.00 H new ATOM 852 N ARG A 54 0.599 -9.141 11.349 1.00 0.00 N ATOM 853 CA ARG A 54 1.812 -9.906 11.086 1.00 0.00 C ATOM 854 C ARG A 54 2.634 -10.087 12.353 1.00 0.00 C ATOM 855 O ARG A 54 3.186 -11.159 12.604 1.00 0.00 O ATOM 856 CB ARG A 54 2.653 -9.216 10.011 1.00 0.00 C ATOM 857 CG ARG A 54 3.916 -9.979 9.644 1.00 0.00 C ATOM 858 CD ARG A 54 4.558 -9.420 8.385 1.00 0.00 C ATOM 859 NE ARG A 54 6.017 -9.427 8.465 1.00 0.00 N ATOM 860 CZ ARG A 54 6.727 -8.518 9.129 1.00 0.00 C ATOM 861 NH1 ARG A 54 6.117 -7.529 9.772 1.00 0.00 N ATOM 862 NH2 ARG A 54 8.050 -8.598 9.152 1.00 0.00 N ATOM 0 H ARG A 54 0.556 -8.241 10.872 1.00 0.00 H new ATOM 0 HA ARG A 54 1.515 -10.892 10.729 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.046 -9.083 9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.928 -8.221 10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.626 -9.928 10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.676 -11.032 9.495 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.239 -10.008 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.209 -8.400 8.222 1.00 0.00 H new ATOM 0 HE ARG A 54 6.521 -10.172 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.099 -7.463 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.666 -6.835 10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.524 -9.356 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.594 -7.901 9.661 1.00 0.00 H new ATOM 876 N THR A 55 2.710 -9.032 13.146 1.00 0.00 N ATOM 877 CA THR A 55 3.463 -9.064 14.393 1.00 0.00 C ATOM 878 C THR A 55 3.079 -7.906 15.304 1.00 0.00 C ATOM 879 O THR A 55 2.971 -8.064 16.520 1.00 0.00 O ATOM 880 CB THR A 55 4.965 -9.031 14.106 1.00 0.00 C ATOM 881 OG1 THR A 55 5.708 -9.232 15.295 1.00 0.00 O ATOM 882 CG2 THR A 55 5.431 -7.730 13.487 1.00 0.00 C ATOM 0 H THR A 55 2.259 -8.139 12.950 1.00 0.00 H new ATOM 0 HA THR A 55 3.217 -9.993 14.907 1.00 0.00 H new ATOM 0 HB THR A 55 5.138 -9.835 13.391 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.666 -9.209 15.090 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.506 -7.776 13.310 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.914 -7.572 12.541 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.209 -6.905 14.164 1.00 0.00 H new ATOM 890 N GLY A 56 2.877 -6.744 14.705 1.00 0.00 N ATOM 891 CA GLY A 56 2.509 -5.568 15.461 1.00 0.00 C ATOM 892 C GLY A 56 3.497 -4.429 15.298 1.00 0.00 C ATOM 893 O GLY A 56 3.580 -3.544 16.149 1.00 0.00 O ATOM 0 H GLY A 56 2.962 -6.594 13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.521 -5.233 15.145 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.434 -5.829 16.517 1.00 0.00 H new ATOM 897 N LYS A 57 4.246 -4.451 14.202 1.00 0.00 N ATOM 898 CA LYS A 57 5.232 -3.416 13.926 1.00 0.00 C ATOM 899 C LYS A 57 4.552 -2.104 13.551 1.00 0.00 C ATOM 900 O LYS A 57 3.334 -1.970 13.670 1.00 0.00 O ATOM 901 CB LYS A 57 6.170 -3.863 12.806 1.00 0.00 C ATOM 902 CG LYS A 57 7.616 -4.016 13.249 1.00 0.00 C ATOM 903 CD LYS A 57 8.428 -2.766 12.946 1.00 0.00 C ATOM 904 CE LYS A 57 8.641 -1.924 14.193 1.00 0.00 C ATOM 905 NZ LYS A 57 10.004 -1.325 14.233 1.00 0.00 N ATOM 0 H LYS A 57 4.188 -5.177 13.488 1.00 0.00 H new ATOM 0 HA LYS A 57 5.816 -3.252 14.832 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.818 -4.814 12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.122 -3.139 11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.650 -4.222 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.063 -4.873 12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.394 -3.051 12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.916 -2.173 12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.895 -1.130 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.490 -2.542 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.109 -0.758 15.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.716 -2.083 14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.140 -0.715 13.402 1.00 0.00 H new ATOM 919 N THR A 58 5.345 -1.135 13.101 1.00 0.00 N ATOM 920 CA THR A 58 4.817 0.170 12.711 1.00 0.00 C ATOM 921 C THR A 58 3.597 0.019 11.805 1.00 0.00 C ATOM 922 O THR A 58 3.291 -1.080 11.340 1.00 0.00 O ATOM 923 CB THR A 58 5.898 0.990 12.001 1.00 0.00 C ATOM 924 OG1 THR A 58 5.465 2.324 11.803 1.00 0.00 O ATOM 925 CG2 THR A 58 6.289 0.430 10.649 1.00 0.00 C ATOM 0 H THR A 58 6.355 -1.229 12.997 1.00 0.00 H new ATOM 0 HA THR A 58 4.509 0.693 13.616 1.00 0.00 H new ATOM 0 HB THR A 58 6.767 0.948 12.657 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.169 2.833 11.350 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.058 1.060 10.203 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.675 -0.582 10.772 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.415 0.408 9.998 1.00 0.00 H new ATOM 933 N ARG A 59 2.909 1.126 11.550 1.00 0.00 N ATOM 934 CA ARG A 59 1.738 1.113 10.697 1.00 0.00 C ATOM 935 C ARG A 59 1.506 2.490 10.093 1.00 0.00 C ATOM 936 O ARG A 59 0.518 3.160 10.396 1.00 0.00 O ATOM 937 CB ARG A 59 0.506 0.665 11.487 1.00 0.00 C ATOM 938 CG ARG A 59 -0.773 0.642 10.663 1.00 0.00 C ATOM 939 CD ARG A 59 -1.731 1.750 11.076 1.00 0.00 C ATOM 940 NE ARG A 59 -3.006 1.221 11.556 1.00 0.00 N ATOM 941 CZ ARG A 59 -3.194 0.734 12.780 1.00 0.00 C ATOM 942 NH1 ARG A 59 -2.193 0.706 13.652 1.00 0.00 N ATOM 943 NH2 ARG A 59 -4.386 0.274 13.135 1.00 0.00 N ATOM 0 H ARG A 59 3.147 2.044 11.926 1.00 0.00 H new ATOM 0 HA ARG A 59 1.908 0.403 9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.686 -0.332 11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.368 1.333 12.338 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.527 0.749 9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.263 -0.325 10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.271 2.354 11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.909 2.410 10.227 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.799 1.225 10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.274 1.059 13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.343 0.332 14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.159 0.293 12.470 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.530 -0.099 14.073 1.00 0.00 H new ATOM 957 N THR A 60 2.424 2.900 9.233 1.00 0.00 N ATOM 958 CA THR A 60 2.330 4.194 8.571 1.00 0.00 C ATOM 959 C THR A 60 1.085 4.255 7.691 1.00 0.00 C ATOM 960 O THR A 60 0.593 3.226 7.228 1.00 0.00 O ATOM 961 CB THR A 60 3.579 4.453 7.730 1.00 0.00 C ATOM 962 OG1 THR A 60 3.511 5.725 7.110 1.00 0.00 O ATOM 963 CG2 THR A 60 3.792 3.422 6.643 1.00 0.00 C ATOM 0 H THR A 60 3.246 2.354 8.975 1.00 0.00 H new ATOM 0 HA THR A 60 2.255 4.966 9.336 1.00 0.00 H new ATOM 0 HB THR A 60 4.414 4.399 8.428 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.393 6.151 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.695 3.665 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.898 2.435 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.936 3.423 5.968 1.00 0.00 H new ATOM 971 N ARG A 61 0.575 5.462 7.465 1.00 0.00 N ATOM 972 CA ARG A 61 -0.610 5.644 6.645 1.00 0.00 C ATOM 973 C ARG A 61 -0.269 6.321 5.328 1.00 0.00 C ATOM 974 O ARG A 61 -0.766 5.937 4.269 1.00 0.00 O ATOM 975 CB ARG A 61 -1.663 6.460 7.399 1.00 0.00 C ATOM 976 CG ARG A 61 -1.098 7.684 8.101 1.00 0.00 C ATOM 977 CD ARG A 61 -2.198 8.521 8.733 1.00 0.00 C ATOM 978 NE ARG A 61 -2.588 9.643 7.883 1.00 0.00 N ATOM 979 CZ ARG A 61 -3.384 10.633 8.282 1.00 0.00 C ATOM 980 NH1 ARG A 61 -3.874 10.644 9.515 1.00 0.00 N ATOM 981 NH2 ARG A 61 -3.689 11.616 7.446 1.00 0.00 N ATOM 0 H ARG A 61 0.966 6.326 7.840 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.017 4.657 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.435 6.778 6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.147 5.820 8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.391 7.370 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.543 8.291 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.067 7.892 8.925 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.858 8.898 9.698 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.230 9.670 6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.641 9.891 10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.483 11.405 9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.314 11.614 6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.299 12.374 7.751 1.00 0.00 H new ATOM 995 N LYS A 62 0.580 7.329 5.405 1.00 0.00 N ATOM 996 CA LYS A 62 0.998 8.070 4.224 1.00 0.00 C ATOM 997 C LYS A 62 1.884 7.213 3.334 1.00 0.00 C ATOM 998 O LYS A 62 1.858 7.333 2.109 1.00 0.00 O ATOM 999 CB LYS A 62 1.727 9.348 4.628 1.00 0.00 C ATOM 1000 CG LYS A 62 1.097 10.613 4.068 1.00 0.00 C ATOM 1001 CD LYS A 62 0.168 11.266 5.078 1.00 0.00 C ATOM 1002 CE LYS A 62 0.042 12.761 4.833 1.00 0.00 C ATOM 1003 NZ LYS A 62 -0.522 13.058 3.487 1.00 0.00 N ATOM 0 H LYS A 62 0.997 7.656 6.277 1.00 0.00 H new ATOM 0 HA LYS A 62 0.107 8.341 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.750 9.415 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.762 9.288 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.880 11.316 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.541 10.373 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.817 10.803 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.544 11.092 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.596 13.202 5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.022 13.228 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.671 14.083 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.141 12.735 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.430 12.564 3.375 1.00 0.00 H new ATOM 1017 N GLN A 63 2.661 6.345 3.960 1.00 0.00 N ATOM 1018 CA GLN A 63 3.552 5.458 3.233 1.00 0.00 C ATOM 1019 C GLN A 63 2.770 4.325 2.579 1.00 0.00 C ATOM 1020 O GLN A 63 3.214 3.741 1.591 1.00 0.00 O ATOM 1021 CB GLN A 63 4.623 4.894 4.165 1.00 0.00 C ATOM 1022 CG GLN A 63 6.041 5.231 3.735 1.00 0.00 C ATOM 1023 CD GLN A 63 6.541 6.529 4.339 1.00 0.00 C ATOM 1024 OE1 GLN A 63 5.753 7.414 4.675 1.00 0.00 O ATOM 1025 NE2 GLN A 63 7.856 6.650 4.478 1.00 0.00 N ATOM 0 H GLN A 63 2.692 6.236 4.974 1.00 0.00 H new ATOM 0 HA GLN A 63 4.042 6.035 2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.456 5.278 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.515 3.811 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.707 4.419 4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.080 5.302 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.472 5.891 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.250 7.502 4.877 1.00 0.00 H new ATOM 1034 N VAL A 64 1.603 4.021 3.137 1.00 0.00 N ATOM 1035 CA VAL A 64 0.760 2.962 2.609 1.00 0.00 C ATOM 1036 C VAL A 64 -0.071 3.449 1.428 1.00 0.00 C ATOM 1037 O VAL A 64 -0.553 2.647 0.632 1.00 0.00 O ATOM 1038 CB VAL A 64 -0.177 2.386 3.692 1.00 0.00 C ATOM 1039 CG1 VAL A 64 -1.096 1.323 3.105 1.00 0.00 C ATOM 1040 CG2 VAL A 64 0.631 1.817 4.847 1.00 0.00 C ATOM 0 H VAL A 64 1.222 4.495 3.956 1.00 0.00 H new ATOM 0 HA VAL A 64 1.430 2.172 2.270 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.798 3.197 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.747 0.932 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.703 1.763 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.497 0.511 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.046 1.415 5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.279 1.021 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.240 2.606 5.289 1.00 0.00 H new ATOM 1050 N SER A 65 -0.227 4.762 1.308 1.00 0.00 N ATOM 1051 CA SER A 65 -0.986 5.331 0.210 1.00 0.00 C ATOM 1052 C SER A 65 -0.061 5.607 -0.959 1.00 0.00 C ATOM 1053 O SER A 65 -0.438 5.468 -2.122 1.00 0.00 O ATOM 1054 CB SER A 65 -1.697 6.614 0.646 1.00 0.00 C ATOM 1055 OG SER A 65 -3.034 6.349 1.035 1.00 0.00 O ATOM 0 H SER A 65 0.161 5.447 1.956 1.00 0.00 H new ATOM 0 HA SER A 65 -1.748 4.615 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.157 7.069 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.689 7.334 -0.172 1.00 0.00 H new ATOM 0 HG SER A 65 -3.466 7.184 1.311 1.00 0.00 H new ATOM 1061 N SER A 66 1.162 5.978 -0.627 1.00 0.00 N ATOM 1062 CA SER A 66 2.177 6.254 -1.619 1.00 0.00 C ATOM 1063 C SER A 66 2.684 4.955 -2.224 1.00 0.00 C ATOM 1064 O SER A 66 3.110 4.913 -3.378 1.00 0.00 O ATOM 1065 CB SER A 66 3.327 7.022 -0.981 1.00 0.00 C ATOM 1066 OG SER A 66 3.637 8.191 -1.718 1.00 0.00 O ATOM 0 H SER A 66 1.476 6.095 0.336 1.00 0.00 H new ATOM 0 HA SER A 66 1.743 6.862 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.063 7.293 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.207 6.382 -0.924 1.00 0.00 H new ATOM 0 HG SER A 66 4.377 8.664 -1.284 1.00 0.00 H new ATOM 1072 N HIS A 67 2.632 3.894 -1.427 1.00 0.00 N ATOM 1073 CA HIS A 67 3.082 2.584 -1.868 1.00 0.00 C ATOM 1074 C HIS A 67 2.138 2.002 -2.912 1.00 0.00 C ATOM 1075 O HIS A 67 2.560 1.249 -3.790 1.00 0.00 O ATOM 1076 CB HIS A 67 3.207 1.633 -0.677 1.00 0.00 C ATOM 1077 CG HIS A 67 3.976 0.385 -0.986 1.00 0.00 C ATOM 1078 ND1 HIS A 67 3.765 -0.581 -1.912 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 5.115 0.015 -0.302 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 4.771 -1.506 -1.771 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 5.572 -1.123 -0.794 1.00 0.00 N flip ATOM 0 H HIS A 67 2.281 3.918 -0.470 1.00 0.00 H new ATOM 0 HA HIS A 67 4.063 2.703 -2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.694 2.156 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.209 1.360 -0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.564 0.569 0.509 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.888 -2.401 -2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.402 -1.621 -0.473 1.00 0.00 H new ATOM 1090 N ILE A 68 0.862 2.356 -2.819 1.00 0.00 N ATOM 1091 CA ILE A 68 -0.128 1.863 -3.767 1.00 0.00 C ATOM 1092 C ILE A 68 0.044 2.525 -5.127 1.00 0.00 C ATOM 1093 O ILE A 68 -0.261 1.933 -6.162 1.00 0.00 O ATOM 1094 CB ILE A 68 -1.571 2.088 -3.270 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -1.727 1.576 -1.839 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -2.564 1.392 -4.190 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -2.887 2.201 -1.093 1.00 0.00 C ATOM 0 H ILE A 68 0.491 2.979 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 68 0.039 0.790 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.777 3.158 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.861 0.495 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.806 1.771 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.577 1.560 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.469 1.795 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.357 0.322 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.935 1.789 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.745 3.280 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.817 1.984 -1.619 1.00 0.00 H new ATOM 1109 N GLN A 69 0.541 3.753 -5.116 1.00 0.00 N ATOM 1110 CA GLN A 69 0.762 4.496 -6.347 1.00 0.00 C ATOM 1111 C GLN A 69 1.982 3.963 -7.083 1.00 0.00 C ATOM 1112 O GLN A 69 2.046 3.996 -8.312 1.00 0.00 O ATOM 1113 CB GLN A 69 0.931 5.987 -6.052 1.00 0.00 C ATOM 1114 CG GLN A 69 -0.246 6.597 -5.310 1.00 0.00 C ATOM 1115 CD GLN A 69 -0.538 8.019 -5.750 1.00 0.00 C ATOM 1116 OE1 GLN A 69 -0.134 8.441 -6.834 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -1.243 8.766 -4.908 1.00 0.00 N ATOM 0 H GLN A 69 0.799 4.256 -4.267 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.112 4.365 -6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.836 6.132 -5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.074 6.521 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.131 5.982 -5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.041 6.586 -4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.557 8.375 -4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.470 9.731 -5.149 1.00 0.00 H new ATOM 1126 N VAL A 70 2.942 3.462 -6.320 1.00 0.00 N ATOM 1127 CA VAL A 70 4.158 2.909 -6.893 1.00 0.00 C ATOM 1128 C VAL A 70 3.875 1.585 -7.588 1.00 0.00 C ATOM 1129 O VAL A 70 4.580 1.196 -8.520 1.00 0.00 O ATOM 1130 CB VAL A 70 5.245 2.696 -5.833 1.00 0.00 C ATOM 1131 CG1 VAL A 70 6.602 2.494 -6.490 1.00 0.00 C ATOM 1132 CG2 VAL A 70 5.285 3.862 -4.853 1.00 0.00 C ATOM 0 H VAL A 70 2.901 3.427 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 70 4.520 3.636 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 70 5.000 1.794 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.360 2.345 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.566 1.619 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.854 3.374 -7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.064 3.687 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.499 4.784 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.321 3.950 -4.353 1.00 0.00 H new ATOM 1142 N LEU A 71 2.833 0.900 -7.132 1.00 0.00 N ATOM 1143 CA LEU A 71 2.447 -0.377 -7.710 1.00 0.00 C ATOM 1144 C LEU A 71 1.858 -0.184 -9.101 1.00 0.00 C ATOM 1145 O LEU A 71 1.962 -1.060 -9.960 1.00 0.00 O ATOM 1146 CB LEU A 71 1.447 -1.092 -6.804 1.00 0.00 C ATOM 1147 CG LEU A 71 1.925 -2.431 -6.241 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.260 -2.267 -5.533 1.00 0.00 C ATOM 1149 CD2 LEU A 71 0.885 -3.012 -5.295 1.00 0.00 C ATOM 0 H LEU A 71 2.240 1.210 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 71 3.340 -0.995 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.199 -0.433 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.527 -1.259 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 71 2.061 -3.125 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.584 -3.230 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.003 -1.895 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.152 -1.557 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.241 -3.965 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.717 -2.320 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.050 -3.168 -5.833 1.00 0.00 H new ATOM 1161 N ALA A 72 1.241 0.971 -9.315 1.00 0.00 N ATOM 1162 CA ALA A 72 0.638 1.285 -10.601 1.00 0.00 C ATOM 1163 C ALA A 72 1.704 1.504 -11.664 1.00 0.00 C ATOM 1164 O ALA A 72 1.488 1.231 -12.845 1.00 0.00 O ATOM 1165 CB ALA A 72 -0.256 2.510 -10.483 1.00 0.00 C ATOM 0 H ALA A 72 1.146 1.705 -8.613 1.00 0.00 H new ATOM 0 HA ALA A 72 0.027 0.435 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.699 2.732 -11.454 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.047 2.315 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.337 3.363 -10.152 1.00 0.00 H new ATOM 1171 N ARG A 73 2.857 1.994 -11.233 1.00 0.00 N ATOM 1172 CA ARG A 73 3.966 2.249 -12.139 1.00 0.00 C ATOM 1173 C ARG A 73 4.554 0.941 -12.652 1.00 0.00 C ATOM 1174 O ARG A 73 5.103 0.882 -13.753 1.00 0.00 O ATOM 1175 CB ARG A 73 5.049 3.074 -11.441 1.00 0.00 C ATOM 1176 CG ARG A 73 4.861 4.574 -11.590 1.00 0.00 C ATOM 1177 CD ARG A 73 5.607 5.339 -10.508 1.00 0.00 C ATOM 1178 NE ARG A 73 5.950 6.694 -10.934 1.00 0.00 N ATOM 1179 CZ ARG A 73 6.314 7.664 -10.097 1.00 0.00 C ATOM 1180 NH1 ARG A 73 6.383 7.433 -8.792 1.00 0.00 N ATOM 1181 NH2 ARG A 73 6.610 8.867 -10.568 1.00 0.00 N ATOM 0 H ARG A 73 3.049 2.223 -10.258 1.00 0.00 H new ATOM 0 HA ARG A 73 3.586 2.816 -12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.060 2.821 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.023 2.796 -11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.215 4.891 -12.571 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.799 4.815 -11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.993 5.386 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.517 4.800 -10.245 1.00 0.00 H new ATOM 0 HE ARG A 73 5.908 6.910 -11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.157 6.509 -8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.662 8.180 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.559 9.049 -11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.889 9.611 -9.928 1.00 0.00 H new ATOM 1195 N ARG A 74 4.432 -0.105 -11.847 1.00 0.00 N ATOM 1196 CA ARG A 74 4.945 -1.417 -12.213 1.00 0.00 C ATOM 1197 C ARG A 74 4.108 -2.034 -13.326 1.00 0.00 C ATOM 1198 O ARG A 74 4.601 -2.838 -14.117 1.00 0.00 O ATOM 1199 CB ARG A 74 4.962 -2.342 -10.995 1.00 0.00 C ATOM 1200 CG ARG A 74 6.100 -3.349 -11.013 1.00 0.00 C ATOM 1201 CD ARG A 74 6.286 -4.004 -9.653 1.00 0.00 C ATOM 1202 NE ARG A 74 6.734 -3.049 -8.643 1.00 0.00 N ATOM 1203 CZ ARG A 74 7.286 -3.400 -7.484 1.00 0.00 C ATOM 1204 NH1 ARG A 74 7.460 -4.682 -7.185 1.00 0.00 N ATOM 1205 NH2 ARG A 74 7.666 -2.468 -6.621 1.00 0.00 N ATOM 0 H ARG A 74 3.981 -0.070 -10.933 1.00 0.00 H new ATOM 0 HA ARG A 74 5.965 -1.293 -12.576 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.037 -1.738 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.014 -2.878 -10.943 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.898 -4.115 -11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.024 -2.851 -11.307 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.345 -4.453 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.013 -4.812 -9.736 1.00 0.00 H new ATOM 0 HE ARG A 74 6.617 -2.055 -8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.170 -5.404 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.884 -4.945 -6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.535 -1.482 -6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.089 -2.737 -5.733 1.00 0.00 H new ATOM 1219 N LYS A 75 2.839 -1.651 -13.379 1.00 0.00 N ATOM 1220 CA LYS A 75 1.927 -2.161 -14.393 1.00 0.00 C ATOM 1221 C LYS A 75 2.256 -1.582 -15.763 1.00 0.00 C ATOM 1222 O LYS A 75 2.012 -2.213 -16.791 1.00 0.00 O ATOM 1223 CB LYS A 75 0.480 -1.836 -14.020 1.00 0.00 C ATOM 1224 CG LYS A 75 -0.180 -2.899 -13.156 1.00 0.00 C ATOM 1225 CD LYS A 75 -1.661 -2.619 -12.963 1.00 0.00 C ATOM 1226 CE LYS A 75 -2.473 -3.904 -12.949 1.00 0.00 C ATOM 1227 NZ LYS A 75 -2.264 -4.680 -11.695 1.00 0.00 N ATOM 0 H LYS A 75 2.417 -0.987 -12.730 1.00 0.00 H new ATOM 0 HA LYS A 75 2.046 -3.243 -14.440 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.455 -0.883 -13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.102 -1.709 -14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.051 -3.877 -13.619 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.314 -2.938 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.812 -2.082 -12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.017 -1.971 -13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.531 -3.666 -13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.196 -4.518 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.835 -5.549 -11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.258 -4.930 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.552 -4.104 -10.878 1.00 0.00 H new ATOM 1241 N SER A 76 2.811 -0.378 -15.766 1.00 0.00 N ATOM 1242 CA SER A 76 3.176 0.294 -17.005 1.00 0.00 C ATOM 1243 C SER A 76 4.365 -0.389 -17.674 1.00 0.00 C ATOM 1244 O SER A 76 4.610 -0.202 -18.866 1.00 0.00 O ATOM 1245 CB SER A 76 3.501 1.765 -16.738 1.00 0.00 C ATOM 1246 OG SER A 76 3.042 2.589 -17.795 1.00 0.00 O ATOM 0 H SER A 76 3.019 0.155 -14.921 1.00 0.00 H new ATOM 0 HA SER A 76 2.323 0.234 -17.681 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.039 2.078 -15.802 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.578 1.887 -16.619 1.00 0.00 H new ATOM 0 HG SER A 76 3.261 3.524 -17.599 1.00 0.00 H new ATOM 1252 N ARG A 77 5.100 -1.184 -16.903 1.00 0.00 N ATOM 1253 CA ARG A 77 6.260 -1.896 -17.425 1.00 0.00 C ATOM 1254 C ARG A 77 5.852 -2.907 -18.496 1.00 0.00 C ATOM 1255 O ARG A 77 6.696 -3.414 -19.234 1.00 0.00 O ATOM 1256 CB ARG A 77 6.999 -2.608 -16.291 1.00 0.00 C ATOM 1257 CG ARG A 77 7.712 -1.661 -15.341 1.00 0.00 C ATOM 1258 CD ARG A 77 8.946 -1.050 -15.985 1.00 0.00 C ATOM 1259 NE ARG A 77 9.810 -0.397 -15.003 1.00 0.00 N ATOM 1260 CZ ARG A 77 11.043 0.029 -15.268 1.00 0.00 C ATOM 1261 NH1 ARG A 77 11.560 -0.126 -16.481 1.00 0.00 N ATOM 1262 NH2 ARG A 77 11.760 0.613 -14.318 1.00 0.00 N ATOM 0 H ARG A 77 4.912 -1.351 -15.914 1.00 0.00 H new ATOM 0 HA ARG A 77 6.925 -1.163 -17.882 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.287 -3.209 -15.725 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.728 -3.296 -16.719 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.029 -0.868 -15.036 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.000 -2.199 -14.438 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.508 -1.828 -16.502 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.640 -0.324 -16.738 1.00 0.00 H new ATOM 0 HE ARG A 77 9.447 -0.260 -14.060 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.012 -0.573 -17.216 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.505 0.202 -16.678 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.367 0.736 -13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.705 0.940 -14.520 1.00 0.00 H new ATOM 1276 N ASP A 78 4.555 -3.201 -18.576 1.00 0.00 N ATOM 1277 CA ASP A 78 4.047 -4.151 -19.551 1.00 0.00 C ATOM 1278 C ASP A 78 3.570 -3.444 -20.818 1.00 0.00 C ATOM 1279 O ASP A 78 2.653 -3.913 -21.491 1.00 0.00 O ATOM 1280 CB ASP A 78 2.910 -4.973 -18.947 1.00 0.00 C ATOM 1281 CG ASP A 78 3.237 -6.452 -18.879 1.00 0.00 C ATOM 1282 OD1 ASP A 78 3.065 -7.146 -19.904 1.00 0.00 O ATOM 1283 OD2 ASP A 78 3.664 -6.917 -17.802 1.00 0.00 O ATOM 0 H ASP A 78 3.840 -2.792 -17.974 1.00 0.00 H new ATOM 0 HA ASP A 78 4.864 -4.819 -19.825 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.693 -4.605 -17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.007 -4.830 -19.541 1.00 0.00 H new ATOM 1288 N LEU A 79 4.196 -2.316 -21.137 1.00 0.00 N ATOM 1289 CA LEU A 79 3.832 -1.550 -22.322 1.00 0.00 C ATOM 1290 C LEU A 79 4.124 -2.341 -23.592 1.00 0.00 C ATOM 1291 O LEU A 79 5.141 -2.123 -24.251 1.00 0.00 O ATOM 1292 CB LEU A 79 4.590 -0.221 -22.349 1.00 0.00 C ATOM 1293 CG LEU A 79 4.187 0.732 -23.475 1.00 0.00 C ATOM 1294 CD1 LEU A 79 2.834 1.362 -23.183 1.00 0.00 C ATOM 1295 CD2 LEU A 79 5.247 1.806 -23.668 1.00 0.00 C ATOM 0 H LEU A 79 4.957 -1.913 -20.591 1.00 0.00 H new ATOM 0 HA LEU A 79 2.762 -1.349 -22.279 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.440 0.284 -21.395 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.656 -0.430 -22.435 1.00 0.00 H new ATOM 0 HG LEU A 79 4.106 0.159 -24.399 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.564 2.037 -23.995 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.080 0.580 -23.095 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.887 1.921 -22.249 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.944 2.476 -24.473 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.360 2.376 -22.746 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.197 1.337 -23.924 1.00 0.00 H new ATOM 1307 N VAL A 80 3.227 -3.261 -23.931 1.00 0.00 N ATOM 1308 CA VAL A 80 3.388 -4.085 -25.122 1.00 0.00 C ATOM 1309 C VAL A 80 3.473 -3.221 -26.381 1.00 0.00 C ATOM 1310 O VAL A 80 2.481 -2.623 -26.799 1.00 0.00 O ATOM 1311 CB VAL A 80 2.225 -5.087 -25.270 1.00 0.00 C ATOM 1312 CG1 VAL A 80 0.898 -4.356 -25.412 1.00 0.00 C ATOM 1313 CG2 VAL A 80 2.462 -6.016 -26.453 1.00 0.00 C ATOM 0 H VAL A 80 2.380 -3.454 -23.396 1.00 0.00 H new ATOM 0 HA VAL A 80 4.320 -4.639 -25.005 1.00 0.00 H new ATOM 0 HB VAL A 80 2.181 -5.694 -24.366 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.092 -5.082 -25.515 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.724 -3.743 -24.528 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.927 -3.718 -26.295 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.630 -6.715 -26.539 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.539 -5.428 -27.368 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.387 -6.571 -26.300 1.00 0.00 H new ATOM 1323 N PRO A 81 4.662 -3.141 -27.007 1.00 0.00 N ATOM 1324 CA PRO A 81 4.861 -2.343 -28.221 1.00 0.00 C ATOM 1325 C PRO A 81 4.122 -2.921 -29.423 1.00 0.00 C ATOM 1326 O PRO A 81 4.631 -3.807 -30.110 1.00 0.00 O ATOM 1327 CB PRO A 81 6.372 -2.399 -28.446 1.00 0.00 C ATOM 1328 CG PRO A 81 6.802 -3.654 -27.778 1.00 0.00 C ATOM 1329 CD PRO A 81 5.903 -3.817 -26.585 1.00 0.00 C ATOM 0 HA PRO A 81 4.473 -1.331 -28.108 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.615 -2.412 -29.509 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.870 -1.530 -28.016 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.713 -4.505 -28.453 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.847 -3.596 -27.474 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.730 -4.867 -26.351 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.329 -3.358 -25.693 1.00 0.00 H new ATOM 1337 N ARG A 82 2.919 -2.413 -29.672 1.00 0.00 N ATOM 1338 CA ARG A 82 2.109 -2.879 -30.791 1.00 0.00 C ATOM 1339 C ARG A 82 1.797 -4.366 -30.656 1.00 0.00 C ATOM 1340 O ARG A 82 0.687 -4.696 -30.188 1.00 0.00 O ATOM 1341 CB ARG A 82 2.832 -2.616 -32.114 1.00 0.00 C ATOM 1342 CG ARG A 82 2.499 -1.267 -32.731 1.00 0.00 C ATOM 1343 CD ARG A 82 3.683 -0.697 -33.495 1.00 0.00 C ATOM 1344 NE ARG A 82 4.497 0.186 -32.664 1.00 0.00 N ATOM 1345 CZ ARG A 82 4.065 1.343 -32.168 1.00 0.00 C ATOM 1346 NH1 ARG A 82 2.830 1.761 -32.416 1.00 0.00 N ATOM 1347 NH2 ARG A 82 4.871 2.086 -31.420 1.00 0.00 N ATOM 1348 OXT ARG A 82 2.665 -5.187 -31.019 1.00 0.00 O ATOM 0 H ARG A 82 2.484 -1.679 -29.114 1.00 0.00 H new ATOM 0 HA ARG A 82 1.169 -2.327 -30.781 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.908 -2.675 -31.949 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.575 -3.404 -32.822 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.648 -1.373 -33.403 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.201 -0.571 -31.947 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.300 -1.514 -33.869 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.323 -0.146 -34.364 1.00 0.00 H new ATOM 0 HE ARG A 82 5.452 -0.101 -32.451 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.205 1.194 -32.990 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.505 2.649 -32.033 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.821 1.770 -31.225 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.540 2.973 -31.040 1.00 0.00 H new TER 1362 ARG A 82