USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 670 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 60 GLN :FLIP amide:sc= -2.01! C(o=-6.1!,f=-5.7!) USER MOD Set 1.2: A 72 GLN :FLIP amide:sc= -4.47! C(o=-6.3!,f=-5.7!) USER MOD Set 1.3: A 74 SER OG : rot -62:sc= 0.805 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.69 X(o=-9,f=-9.5) USER MOD Set 2.2: A 66 GLN : amide:sc= -7.34! C(o=-9!,f=-14!) USER MOD Set 3.1: A 64 THR OG1 : rot -64:sc= -2.06! USER MOD Set 3.2: A 75 SER OG : rot 137:sc= 0.137 USER MOD Set 3.3: A 76 GLN : amide:sc= -3.29! C(o=-5.2!,f=-8.4!) USER MOD Set 4.1: A 59 SER OG : rot -65:sc= 0.652 USER MOD Set 4.2: A 63 GLN : amide:sc= -1.06 X(o=-8.1,f=-8) USER MOD Set 4.3: A 65 HIS : no HD1:sc= -7.73! C(o=-8.1!,f=-8.8!) USER MOD Set 5.1: A 40 THR OG1 : rot 138:sc= 1.44 USER MOD Set 5.2: A 47 TYR OH : rot -174:sc= -0.338! USER MOD Set 6.1: A 33 HIS :FLIP no HD1:sc= -1.34 F(o=-4.9!,f=-2.8) USER MOD Set 6.2: A 35 GLN : amide:sc= -1.43 K(o=-2.8,f=-8.1!) USER MOD Set 7.1: A 28 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0183) USER MOD Set 7.2: A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00866) USER MOD Set 8.1: A 7 ASN :FLIP amide:sc= -3.07 F(o=-5.7!,f=-4.6) USER MOD Set 8.2: A 41 LYS NZ :NH3+ 147:sc= -1.58! (180deg=-2.18!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.019 (180deg=-0.51) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.686 F(o=-2.9!,f=-0.69) USER MOD Single : A 16 SER OG : rot 162:sc= 0.474 USER MOD Single : A 17 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.27) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -142:sc= -1 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.446 K(o=0.45,f=-2.2!) USER MOD Single : A 26 HIS : no HE2:sc= -10.6! C(o=-11!,f=-15!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.758 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00237) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 0.218 (180deg=0.025) USER MOD Single : A 82 THR OG1 : rot -146:sc= -4.56! USER MOD Single : A 85 LYS NZ :NH3+ -123:sc= 0.468 (180deg=0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -23.445 21.251 9.382 1.00 0.00 N ATOM 2 CA LEU A 1 -23.143 19.838 8.993 1.00 0.00 C ATOM 3 C LEU A 1 -24.338 18.928 9.296 1.00 0.00 C ATOM 4 O LEU A 1 -25.234 19.292 10.036 1.00 0.00 O ATOM 5 CB LEU A 1 -21.915 19.433 9.825 1.00 0.00 C ATOM 6 CG LEU A 1 -22.263 19.406 11.320 1.00 0.00 C ATOM 7 CD1 LEU A 1 -22.105 17.991 11.883 1.00 0.00 C ATOM 8 CD2 LEU A 1 -21.343 20.359 12.088 1.00 0.00 C ATOM 0 H1 LEU A 1 -22.614 21.668 9.847 1.00 0.00 H new ATOM 0 H2 LEU A 1 -23.679 21.803 8.532 1.00 0.00 H new ATOM 0 H3 LEU A 1 -24.252 21.266 10.038 1.00 0.00 H new ATOM 0 HA LEU A 1 -22.947 19.745 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -21.563 18.451 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -21.101 20.136 9.648 1.00 0.00 H new ATOM 0 HG LEU A 1 -23.300 19.723 11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -22.356 17.991 12.944 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -22.772 17.312 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -21.074 17.661 11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -21.596 20.334 13.148 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -20.306 20.050 11.955 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -21.471 21.373 11.708 1.00 0.00 H new ATOM 22 N ASP A 2 -24.357 17.750 8.714 1.00 0.00 N ATOM 23 CA ASP A 2 -25.490 16.797 8.934 1.00 0.00 C ATOM 24 C ASP A 2 -26.840 17.503 8.706 1.00 0.00 C ATOM 25 O ASP A 2 -27.593 17.719 9.638 1.00 0.00 O ATOM 26 CB ASP A 2 -25.352 16.328 10.389 1.00 0.00 C ATOM 27 CG ASP A 2 -26.041 14.965 10.577 1.00 0.00 C ATOM 28 OD1 ASP A 2 -27.080 14.747 9.970 1.00 0.00 O ATOM 29 OD2 ASP A 2 -25.519 14.165 11.335 1.00 0.00 O ATOM 0 H ASP A 2 -23.627 17.407 8.090 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.459 15.957 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -24.298 16.250 10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -25.796 17.064 11.059 1.00 0.00 H new ATOM 34 N PRO A 3 -27.104 17.832 7.462 1.00 0.00 N ATOM 35 CA PRO A 3 -28.369 18.504 7.106 1.00 0.00 C ATOM 36 C PRO A 3 -29.442 17.424 6.889 1.00 0.00 C ATOM 37 O PRO A 3 -30.084 16.989 7.828 1.00 0.00 O ATOM 38 CB PRO A 3 -28.019 19.250 5.819 1.00 0.00 C ATOM 39 CG PRO A 3 -26.862 18.497 5.220 1.00 0.00 C ATOM 40 CD PRO A 3 -26.262 17.603 6.284 1.00 0.00 C ATOM 0 HA PRO A 3 -28.764 19.185 7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -28.868 19.273 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -27.748 20.285 6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -27.198 17.901 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -26.112 19.193 4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -26.278 16.556 5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -25.222 17.862 6.482 1.00 0.00 H new ATOM 48 N VAL A 4 -29.597 16.944 5.677 1.00 0.00 N ATOM 49 CA VAL A 4 -30.572 15.841 5.422 1.00 0.00 C ATOM 50 C VAL A 4 -29.962 14.569 6.018 1.00 0.00 C ATOM 51 O VAL A 4 -30.503 13.951 6.915 1.00 0.00 O ATOM 52 CB VAL A 4 -30.665 15.746 3.892 1.00 0.00 C ATOM 53 CG1 VAL A 4 -31.275 14.444 3.362 1.00 0.00 C ATOM 54 CG2 VAL A 4 -31.518 16.916 3.392 1.00 0.00 C ATOM 0 H VAL A 4 -29.089 17.270 4.855 1.00 0.00 H new ATOM 0 HA VAL A 4 -31.559 15.995 5.857 1.00 0.00 H new ATOM 0 HB VAL A 4 -29.640 15.773 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -31.298 14.470 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -30.671 13.599 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -32.290 14.336 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -31.598 16.870 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -32.513 16.855 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -31.050 17.857 3.681 1.00 0.00 H new ATOM 64 N ASP A 5 -28.793 14.234 5.540 1.00 0.00 N ATOM 65 CA ASP A 5 -28.028 13.065 6.054 1.00 0.00 C ATOM 66 C ASP A 5 -26.542 13.418 5.877 1.00 0.00 C ATOM 67 O ASP A 5 -25.896 13.792 6.837 1.00 0.00 O ATOM 68 CB ASP A 5 -28.467 11.856 5.216 1.00 0.00 C ATOM 69 CG ASP A 5 -29.681 11.184 5.864 1.00 0.00 C ATOM 70 OD1 ASP A 5 -29.485 10.405 6.779 1.00 0.00 O ATOM 71 OD2 ASP A 5 -30.788 11.458 5.429 1.00 0.00 O ATOM 0 H ASP A 5 -28.324 14.741 4.790 1.00 0.00 H new ATOM 0 HA ASP A 5 -28.202 12.828 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -28.715 12.175 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -27.647 11.143 5.134 1.00 0.00 H new ATOM 76 N PRO A 6 -26.054 13.381 4.648 1.00 0.00 N ATOM 77 CA PRO A 6 -24.669 13.797 4.375 1.00 0.00 C ATOM 78 C PRO A 6 -24.702 15.280 3.963 1.00 0.00 C ATOM 79 O PRO A 6 -25.758 15.886 3.923 1.00 0.00 O ATOM 80 CB PRO A 6 -24.263 12.922 3.202 1.00 0.00 C ATOM 81 CG PRO A 6 -25.554 12.569 2.511 1.00 0.00 C ATOM 82 CD PRO A 6 -26.711 12.946 3.411 1.00 0.00 C ATOM 0 HA PRO A 6 -23.984 13.694 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.588 13.452 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.739 12.028 3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -25.629 13.096 1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -25.582 11.503 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -27.315 13.742 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -27.376 12.100 3.586 1.00 0.00 H new ATOM 90 N ASN A 7 -23.584 15.874 3.649 1.00 0.00 N ATOM 91 CA ASN A 7 -23.611 17.318 3.243 1.00 0.00 C ATOM 92 C ASN A 7 -24.092 17.476 1.792 1.00 0.00 C ATOM 93 O ASN A 7 -24.846 18.380 1.482 1.00 0.00 O ATOM 94 CB ASN A 7 -22.172 17.816 3.391 1.00 0.00 C ATOM 95 CG ASN A 7 -21.815 17.889 4.878 1.00 0.00 C ATOM 96 OD1 ASN A 7 -21.134 16.917 5.415 1.00 0.00 O flip ATOM 97 ND2 ASN A 7 -22.160 18.837 5.554 1.00 0.00 N flip ATOM 0 H ASN A 7 -22.663 15.435 3.654 1.00 0.00 H new ATOM 0 HA ASN A 7 -24.303 17.890 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -21.487 17.145 2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -22.065 18.798 2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -22.693 19.597 5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -21.917 18.873 6.544 1.00 0.00 H new ATOM 104 N ILE A 8 -23.661 16.613 0.903 1.00 0.00 N ATOM 105 CA ILE A 8 -24.095 16.725 -0.532 1.00 0.00 C ATOM 106 C ILE A 8 -24.523 15.357 -1.098 1.00 0.00 C ATOM 107 O ILE A 8 -24.587 15.176 -2.301 1.00 0.00 O ATOM 108 CB ILE A 8 -22.881 17.285 -1.311 1.00 0.00 C ATOM 109 CG1 ILE A 8 -21.829 16.183 -1.570 1.00 0.00 C ATOM 110 CG2 ILE A 8 -22.241 18.450 -0.541 1.00 0.00 C ATOM 111 CD1 ILE A 8 -21.185 15.709 -0.262 1.00 0.00 C ATOM 0 H ILE A 8 -23.030 15.838 1.105 1.00 0.00 H new ATOM 0 HA ILE A 8 -24.962 17.379 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 8 -23.241 17.649 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -22.300 15.338 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -21.058 16.563 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -21.389 18.833 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.975 19.245 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -21.905 18.100 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -20.450 14.934 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.693 16.550 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -21.954 15.306 0.397 1.00 0.00 H new ATOM 123 N GLU A 9 -24.822 14.398 -0.246 1.00 0.00 N ATOM 124 CA GLU A 9 -25.246 13.039 -0.729 1.00 0.00 C ATOM 125 C GLU A 9 -24.272 12.504 -1.794 1.00 0.00 C ATOM 126 O GLU A 9 -24.644 12.316 -2.937 1.00 0.00 O ATOM 127 CB GLU A 9 -26.649 13.243 -1.314 1.00 0.00 C ATOM 128 CG GLU A 9 -27.453 11.948 -1.177 1.00 0.00 C ATOM 129 CD GLU A 9 -28.784 12.088 -1.921 1.00 0.00 C ATOM 130 OE1 GLU A 9 -28.771 12.004 -3.139 1.00 0.00 O ATOM 131 OE2 GLU A 9 -29.792 12.277 -1.261 1.00 0.00 O ATOM 0 H GLU A 9 -24.790 14.500 0.768 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.246 12.302 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.157 14.055 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.579 13.531 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.885 11.111 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.634 11.730 -0.124 1.00 0.00 H new ATOM 138 N PRO A 10 -23.046 12.280 -1.375 1.00 0.00 N ATOM 139 CA PRO A 10 -22.002 11.765 -2.289 1.00 0.00 C ATOM 140 C PRO A 10 -21.985 10.230 -2.296 1.00 0.00 C ATOM 141 O PRO A 10 -20.937 9.612 -2.272 1.00 0.00 O ATOM 142 CB PRO A 10 -20.719 12.291 -1.675 1.00 0.00 C ATOM 143 CG PRO A 10 -21.024 12.464 -0.214 1.00 0.00 C ATOM 144 CD PRO A 10 -22.523 12.491 -0.025 1.00 0.00 C ATOM 0 HA PRO A 10 -22.156 12.075 -3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.895 11.593 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.423 13.236 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.587 11.648 0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.581 13.388 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -22.855 11.710 0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -22.857 13.442 0.390 1.00 0.00 H new ATOM 152 N TRP A 11 -23.131 9.608 -2.336 1.00 0.00 N ATOM 153 CA TRP A 11 -23.176 8.117 -2.344 1.00 0.00 C ATOM 154 C TRP A 11 -23.493 7.637 -3.763 1.00 0.00 C ATOM 155 O TRP A 11 -24.434 6.907 -4.002 1.00 0.00 O ATOM 156 CB TRP A 11 -24.298 7.767 -1.363 1.00 0.00 C ATOM 157 CG TRP A 11 -23.924 8.248 0.003 1.00 0.00 C ATOM 158 CD1 TRP A 11 -24.373 9.389 0.575 1.00 0.00 C ATOM 159 CD2 TRP A 11 -23.025 7.632 0.970 1.00 0.00 C ATOM 160 NE1 TRP A 11 -23.809 9.510 1.832 1.00 0.00 N ATOM 161 CE2 TRP A 11 -22.970 8.451 2.120 1.00 0.00 C ATOM 162 CE3 TRP A 11 -22.259 6.452 0.962 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -22.184 8.111 3.221 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -21.470 6.111 2.068 1.00 0.00 C ATOM 165 CH2 TRP A 11 -21.432 6.938 3.192 1.00 0.00 C ATOM 0 H TRP A 11 -24.041 10.068 -2.364 1.00 0.00 H new ATOM 0 HA TRP A 11 -22.237 7.645 -2.054 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -25.233 8.229 -1.681 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -24.463 6.690 -1.350 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -25.059 10.090 0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -23.990 10.286 2.468 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -22.279 5.805 0.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -22.158 8.752 4.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -20.887 5.202 2.051 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -20.819 6.669 4.040 1.00 0.00 H new ATOM 176 N ASN A 12 -22.711 8.082 -4.711 1.00 0.00 N ATOM 177 CA ASN A 12 -22.934 7.701 -6.135 1.00 0.00 C ATOM 178 C ASN A 12 -21.600 7.741 -6.890 1.00 0.00 C ATOM 179 O ASN A 12 -21.044 8.800 -7.118 1.00 0.00 O ATOM 180 CB ASN A 12 -23.922 8.745 -6.686 1.00 0.00 C ATOM 181 CG ASN A 12 -23.631 10.122 -6.070 1.00 0.00 C ATOM 182 OD1 ASN A 12 -24.036 10.376 -4.854 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 -23.034 10.970 -6.702 1.00 0.00 N flip ATOM 0 H ASN A 12 -21.916 8.702 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.331 6.692 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.839 8.798 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -24.945 8.445 -6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -22.718 10.771 -7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.848 11.882 -6.284 1.00 0.00 H new ATOM 190 N HIS A 13 -21.073 6.603 -7.266 1.00 0.00 N ATOM 191 CA HIS A 13 -19.765 6.592 -7.992 1.00 0.00 C ATOM 192 C HIS A 13 -19.949 6.141 -9.446 1.00 0.00 C ATOM 193 O HIS A 13 -20.069 4.965 -9.723 1.00 0.00 O ATOM 194 CB HIS A 13 -18.886 5.607 -7.216 1.00 0.00 C ATOM 195 CG HIS A 13 -18.085 6.371 -6.194 1.00 0.00 C ATOM 196 ND1 HIS A 13 -16.705 6.273 -6.108 1.00 0.00 N ATOM 197 CD2 HIS A 13 -18.455 7.277 -5.231 1.00 0.00 C ATOM 198 CE1 HIS A 13 -16.298 7.105 -5.129 1.00 0.00 C ATOM 199 NE2 HIS A 13 -17.326 7.739 -4.561 1.00 0.00 N ATOM 0 H HIS A 13 -21.488 5.686 -7.103 1.00 0.00 H new ATOM 0 HA HIS A 13 -19.316 7.584 -8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.504 4.855 -6.726 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -18.221 5.077 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -19.469 7.585 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.267 7.242 -4.840 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.292 8.417 -3.799 1.00 0.00 H new ATOM 207 N PRO A 14 -19.962 7.105 -10.333 1.00 0.00 N ATOM 208 CA PRO A 14 -20.129 6.807 -11.778 1.00 0.00 C ATOM 209 C PRO A 14 -18.834 6.243 -12.374 1.00 0.00 C ATOM 210 O PRO A 14 -17.749 6.612 -11.971 1.00 0.00 O ATOM 211 CB PRO A 14 -20.425 8.173 -12.392 1.00 0.00 C ATOM 212 CG PRO A 14 -19.807 9.159 -11.452 1.00 0.00 C ATOM 213 CD PRO A 14 -19.829 8.547 -10.076 1.00 0.00 C ATOM 0 HA PRO A 14 -20.906 6.066 -11.964 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.998 8.258 -13.391 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -21.498 8.339 -12.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.785 9.388 -11.754 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.360 10.098 -11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.916 8.772 -9.524 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -20.662 8.926 -9.483 1.00 0.00 H new ATOM 221 N GLY A 15 -18.938 5.386 -13.360 1.00 0.00 N ATOM 222 CA GLY A 15 -17.707 4.851 -14.014 1.00 0.00 C ATOM 223 C GLY A 15 -17.255 5.927 -15.002 1.00 0.00 C ATOM 224 O GLY A 15 -17.283 5.741 -16.196 1.00 0.00 O ATOM 0 H GLY A 15 -19.818 5.036 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.930 4.647 -13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.914 3.912 -14.527 1.00 0.00 H new ATOM 228 N SER A 16 -16.885 7.067 -14.483 1.00 0.00 N ATOM 229 CA SER A 16 -16.471 8.227 -15.341 1.00 0.00 C ATOM 230 C SER A 16 -15.666 9.268 -14.530 1.00 0.00 C ATOM 231 O SER A 16 -14.914 10.044 -15.086 1.00 0.00 O ATOM 232 CB SER A 16 -17.787 8.840 -15.809 1.00 0.00 C ATOM 233 OG SER A 16 -17.555 9.634 -16.965 1.00 0.00 O ATOM 0 H SER A 16 -16.850 7.251 -13.480 1.00 0.00 H new ATOM 0 HA SER A 16 -15.828 7.912 -16.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.507 8.053 -16.034 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.219 9.451 -15.016 1.00 0.00 H new ATOM 0 HG SER A 16 -18.403 9.791 -17.430 1.00 0.00 H new ATOM 239 N GLN A 17 -15.830 9.291 -13.222 1.00 0.00 N ATOM 240 CA GLN A 17 -15.100 10.261 -12.358 1.00 0.00 C ATOM 241 C GLN A 17 -14.274 9.478 -11.322 1.00 0.00 C ATOM 242 O GLN A 17 -13.063 9.516 -11.371 1.00 0.00 O ATOM 243 CB GLN A 17 -16.189 11.117 -11.693 1.00 0.00 C ATOM 244 CG GLN A 17 -16.906 11.976 -12.742 1.00 0.00 C ATOM 245 CD GLN A 17 -15.890 12.806 -13.534 1.00 0.00 C ATOM 246 OE1 GLN A 17 -15.156 13.593 -12.969 1.00 0.00 O ATOM 247 NE2 GLN A 17 -15.819 12.663 -14.831 1.00 0.00 N ATOM 0 H GLN A 17 -16.453 8.662 -12.715 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.405 10.894 -12.910 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -16.908 10.473 -11.187 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.743 11.757 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -17.472 11.337 -13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -17.623 12.636 -12.253 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -16.435 12.003 -15.306 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.148 13.212 -15.369 1.00 0.00 H new ATOM 256 N PRO A 18 -14.943 8.752 -10.436 1.00 0.00 N ATOM 257 CA PRO A 18 -14.215 7.924 -9.440 1.00 0.00 C ATOM 258 C PRO A 18 -13.532 6.757 -10.161 1.00 0.00 C ATOM 259 O PRO A 18 -12.367 6.482 -9.948 1.00 0.00 O ATOM 260 CB PRO A 18 -15.307 7.424 -8.501 1.00 0.00 C ATOM 261 CG PRO A 18 -16.551 7.470 -9.325 1.00 0.00 C ATOM 262 CD PRO A 18 -16.402 8.637 -10.267 1.00 0.00 C ATOM 0 HA PRO A 18 -13.438 8.468 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.099 6.413 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.392 8.056 -7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.684 6.540 -9.878 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.430 7.593 -8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.904 8.454 -11.217 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.832 9.548 -9.850 1.00 0.00 H new ATOM 270 N LYS A 19 -14.244 6.090 -11.044 1.00 0.00 N ATOM 271 CA LYS A 19 -13.628 4.968 -11.813 1.00 0.00 C ATOM 272 C LYS A 19 -12.599 5.550 -12.782 1.00 0.00 C ATOM 273 O LYS A 19 -11.571 4.953 -13.042 1.00 0.00 O ATOM 274 CB LYS A 19 -14.772 4.306 -12.570 1.00 0.00 C ATOM 275 CG LYS A 19 -15.544 3.382 -11.623 1.00 0.00 C ATOM 276 CD LYS A 19 -15.968 2.124 -12.381 1.00 0.00 C ATOM 277 CE LYS A 19 -15.948 0.918 -11.436 1.00 0.00 C ATOM 278 NZ LYS A 19 -14.671 0.216 -11.758 1.00 0.00 N ATOM 0 H LYS A 19 -15.223 6.277 -11.261 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.120 4.245 -11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.439 5.065 -12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.382 3.736 -13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.921 3.114 -10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.421 3.896 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.968 2.257 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.296 1.951 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.977 1.230 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.810 0.271 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.576 -0.626 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.676 -0.073 -12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.870 0.857 -11.587 1.00 0.00 H new ATOM 292 N THR A 20 -12.850 6.743 -13.276 1.00 0.00 N ATOM 293 CA THR A 20 -11.874 7.402 -14.176 1.00 0.00 C ATOM 294 C THR A 20 -11.044 8.380 -13.335 1.00 0.00 C ATOM 295 O THR A 20 -10.568 9.390 -13.818 1.00 0.00 O ATOM 296 CB THR A 20 -12.704 8.144 -15.227 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.706 7.278 -15.750 1.00 0.00 O ATOM 298 CG2 THR A 20 -11.791 8.614 -16.361 1.00 0.00 C ATOM 0 H THR A 20 -13.695 7.282 -13.087 1.00 0.00 H new ATOM 0 HA THR A 20 -11.193 6.702 -14.660 1.00 0.00 H new ATOM 0 HB THR A 20 -13.182 9.007 -14.763 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.812 7.443 -16.710 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.382 9.142 -17.109 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.030 9.284 -15.961 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.310 7.751 -16.822 1.00 0.00 H new ATOM 306 N ALA A 21 -10.890 8.073 -12.062 1.00 0.00 N ATOM 307 CA ALA A 21 -10.110 8.949 -11.127 1.00 0.00 C ATOM 308 C ALA A 21 -8.725 9.287 -11.693 1.00 0.00 C ATOM 309 O ALA A 21 -8.086 10.212 -11.235 1.00 0.00 O ATOM 310 CB ALA A 21 -9.976 8.143 -9.834 1.00 0.00 C ATOM 0 H ALA A 21 -11.280 7.237 -11.628 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.614 9.903 -10.970 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.415 8.722 -9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.967 7.921 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.450 7.211 -10.039 1.00 0.00 H new ATOM 316 N SER A 22 -8.263 8.568 -12.697 1.00 0.00 N ATOM 317 CA SER A 22 -6.934 8.889 -13.300 1.00 0.00 C ATOM 318 C SER A 22 -6.870 10.388 -13.646 1.00 0.00 C ATOM 319 O SER A 22 -5.805 10.971 -13.707 1.00 0.00 O ATOM 320 CB SER A 22 -6.855 8.039 -14.570 1.00 0.00 C ATOM 321 OG SER A 22 -5.513 8.008 -15.037 1.00 0.00 O ATOM 0 H SER A 22 -8.751 7.778 -13.119 1.00 0.00 H new ATOM 0 HA SER A 22 -6.106 8.678 -12.623 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.203 7.027 -14.365 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.509 8.452 -15.338 1.00 0.00 H new ATOM 0 HG SER A 22 -5.462 7.462 -15.849 1.00 0.00 H new ATOM 327 N ASN A 23 -8.013 11.016 -13.848 1.00 0.00 N ATOM 328 CA ASN A 23 -8.027 12.480 -14.164 1.00 0.00 C ATOM 329 C ASN A 23 -7.673 13.300 -12.905 1.00 0.00 C ATOM 330 O ASN A 23 -7.081 14.358 -12.994 1.00 0.00 O ATOM 331 CB ASN A 23 -9.463 12.774 -14.637 1.00 0.00 C ATOM 332 CG ASN A 23 -10.386 13.062 -13.443 1.00 0.00 C ATOM 333 OD1 ASN A 23 -10.650 14.205 -13.130 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.891 12.068 -12.762 1.00 0.00 N ATOM 0 H ASN A 23 -8.932 10.575 -13.807 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.294 12.750 -14.924 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.459 13.629 -15.313 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.846 11.923 -15.201 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.506 12.253 -11.969 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.671 11.107 -13.023 1.00 0.00 H new ATOM 341 N ARG A 24 -8.027 12.806 -11.740 1.00 0.00 N ATOM 342 CA ARG A 24 -7.718 13.525 -10.471 1.00 0.00 C ATOM 343 C ARG A 24 -7.183 12.528 -9.426 1.00 0.00 C ATOM 344 O ARG A 24 -5.992 12.300 -9.346 1.00 0.00 O ATOM 345 CB ARG A 24 -9.053 14.123 -10.019 1.00 0.00 C ATOM 346 CG ARG A 24 -9.239 15.508 -10.639 1.00 0.00 C ATOM 347 CD ARG A 24 -10.699 15.931 -10.478 1.00 0.00 C ATOM 348 NE ARG A 24 -10.820 16.295 -9.035 1.00 0.00 N ATOM 349 CZ ARG A 24 -10.435 17.474 -8.617 1.00 0.00 C ATOM 350 NH1 ARG A 24 -11.182 18.524 -8.841 1.00 0.00 N ATOM 351 NH2 ARG A 24 -9.303 17.599 -7.974 1.00 0.00 N ATOM 0 H ARG A 24 -8.523 11.923 -11.619 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.956 14.294 -10.599 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.873 13.469 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.080 14.195 -8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.582 16.230 -10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.967 15.488 -11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.942 16.775 -11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.379 15.122 -10.743 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.204 15.622 -8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.065 18.424 -9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.882 19.443 -8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.722 16.779 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.001 18.517 -7.647 1.00 0.00 H new ATOM 365 N ALA A 25 -8.060 11.927 -8.639 1.00 0.00 N ATOM 366 CA ALA A 25 -7.625 10.930 -7.605 1.00 0.00 C ATOM 367 C ALA A 25 -6.704 11.565 -6.551 1.00 0.00 C ATOM 368 O ALA A 25 -5.572 11.154 -6.372 1.00 0.00 O ATOM 369 CB ALA A 25 -6.885 9.846 -8.387 1.00 0.00 C ATOM 0 H ALA A 25 -9.066 12.090 -8.674 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.477 10.535 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.534 9.077 -7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.560 9.399 -9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.033 10.288 -8.903 1.00 0.00 H new ATOM 375 N HIS A 26 -7.192 12.548 -5.836 1.00 0.00 N ATOM 376 CA HIS A 26 -6.363 13.198 -4.771 1.00 0.00 C ATOM 377 C HIS A 26 -7.241 14.072 -3.865 1.00 0.00 C ATOM 378 O HIS A 26 -7.254 13.901 -2.661 1.00 0.00 O ATOM 379 CB HIS A 26 -5.265 14.038 -5.468 1.00 0.00 C ATOM 380 CG HIS A 26 -5.684 14.606 -6.811 1.00 0.00 C ATOM 381 ND1 HIS A 26 -4.755 15.154 -7.687 1.00 0.00 N ATOM 382 CD2 HIS A 26 -6.900 14.744 -7.435 1.00 0.00 C ATOM 383 CE1 HIS A 26 -5.425 15.590 -8.770 1.00 0.00 C ATOM 384 NE2 HIS A 26 -6.732 15.370 -8.662 1.00 0.00 N ATOM 0 H HIS A 26 -8.132 12.930 -5.943 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.900 12.443 -4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.978 14.859 -4.811 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.380 13.417 -5.607 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -3.748 15.215 -7.537 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.846 14.414 -7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.958 16.061 -9.622 1.00 0.00 H new ATOM 392 N ALA A 27 -7.986 14.989 -4.430 1.00 0.00 N ATOM 393 CA ALA A 27 -8.877 15.856 -3.603 1.00 0.00 C ATOM 394 C ALA A 27 -10.239 15.171 -3.398 1.00 0.00 C ATOM 395 O ALA A 27 -11.026 15.580 -2.565 1.00 0.00 O ATOM 396 CB ALA A 27 -9.037 17.144 -4.415 1.00 0.00 C ATOM 0 H ALA A 27 -8.015 15.174 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.467 16.049 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.681 17.837 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.059 17.601 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.485 16.912 -5.381 1.00 0.00 H new ATOM 402 N LYS A 28 -10.514 14.127 -4.148 1.00 0.00 N ATOM 403 CA LYS A 28 -11.813 13.399 -4.003 1.00 0.00 C ATOM 404 C LYS A 28 -11.862 12.689 -2.645 1.00 0.00 C ATOM 405 O LYS A 28 -12.750 12.918 -1.846 1.00 0.00 O ATOM 406 CB LYS A 28 -11.810 12.380 -5.145 1.00 0.00 C ATOM 407 CG LYS A 28 -13.034 11.461 -5.053 1.00 0.00 C ATOM 408 CD LYS A 28 -12.600 10.002 -5.245 1.00 0.00 C ATOM 409 CE LYS A 28 -11.780 9.863 -6.535 1.00 0.00 C ATOM 410 NZ LYS A 28 -11.100 8.542 -6.400 1.00 0.00 N ATOM 0 H LYS A 28 -9.888 13.748 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.678 14.061 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.810 12.900 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.898 11.785 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.520 11.582 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.765 11.736 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.007 9.675 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.477 9.356 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.419 9.893 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.058 10.673 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.069 8.678 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.368 8.104 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.388 7.922 -7.184 1.00 0.00 H new ATOM 424 N LYS A 29 -10.907 11.832 -2.384 1.00 0.00 N ATOM 425 CA LYS A 29 -10.881 11.101 -1.084 1.00 0.00 C ATOM 426 C LYS A 29 -9.994 11.833 -0.068 1.00 0.00 C ATOM 427 O LYS A 29 -10.143 11.667 1.122 1.00 0.00 O ATOM 428 CB LYS A 29 -10.313 9.710 -1.398 1.00 0.00 C ATOM 429 CG LYS A 29 -8.879 9.817 -1.936 1.00 0.00 C ATOM 430 CD LYS A 29 -8.872 9.483 -3.426 1.00 0.00 C ATOM 431 CE LYS A 29 -7.433 9.259 -3.902 1.00 0.00 C ATOM 432 NZ LYS A 29 -7.570 8.359 -5.085 1.00 0.00 N ATOM 0 H LYS A 29 -10.142 11.607 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.875 11.036 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.324 9.096 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.946 9.211 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.492 10.823 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.224 9.134 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.469 8.590 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.330 10.294 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.953 10.200 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.823 8.801 -3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.631 8.180 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.995 7.458 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.179 8.811 -5.796 1.00 0.00 H new ATOM 446 N SER A 30 -9.065 12.636 -0.519 1.00 0.00 N ATOM 447 CA SER A 30 -8.178 13.362 0.440 1.00 0.00 C ATOM 448 C SER A 30 -7.475 12.369 1.394 1.00 0.00 C ATOM 449 O SER A 30 -7.045 12.732 2.473 1.00 0.00 O ATOM 450 CB SER A 30 -9.117 14.299 1.203 1.00 0.00 C ATOM 451 OG SER A 30 -8.411 15.467 1.593 1.00 0.00 O ATOM 0 H SER A 30 -8.882 12.820 -1.505 1.00 0.00 H new ATOM 0 HA SER A 30 -7.380 13.909 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.967 14.568 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.517 13.793 2.082 1.00 0.00 H new ATOM 0 HG SER A 30 -9.014 16.066 2.080 1.00 0.00 H new ATOM 457 N ALA A 31 -7.348 11.123 0.980 1.00 0.00 N ATOM 458 CA ALA A 31 -6.668 10.075 1.811 1.00 0.00 C ATOM 459 C ALA A 31 -7.292 9.930 3.211 1.00 0.00 C ATOM 460 O ALA A 31 -6.799 10.480 4.180 1.00 0.00 O ATOM 461 CB ALA A 31 -5.207 10.531 1.911 1.00 0.00 C ATOM 0 H ALA A 31 -7.695 10.786 0.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.771 9.092 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.642 9.814 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.776 10.593 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.163 11.511 2.386 1.00 0.00 H new ATOM 467 N TYR A 32 -8.346 9.153 3.331 1.00 0.00 N ATOM 468 CA TYR A 32 -8.967 8.927 4.681 1.00 0.00 C ATOM 469 C TYR A 32 -9.708 7.589 4.715 1.00 0.00 C ATOM 470 O TYR A 32 -10.794 7.492 5.253 1.00 0.00 O ATOM 471 CB TYR A 32 -9.931 10.101 4.962 1.00 0.00 C ATOM 472 CG TYR A 32 -10.888 10.397 3.824 1.00 0.00 C ATOM 473 CD1 TYR A 32 -11.075 9.506 2.755 1.00 0.00 C ATOM 474 CD2 TYR A 32 -11.599 11.597 3.858 1.00 0.00 C ATOM 475 CE1 TYR A 32 -11.972 9.821 1.730 1.00 0.00 C ATOM 476 CE2 TYR A 32 -12.498 11.910 2.833 1.00 0.00 C ATOM 477 CZ TYR A 32 -12.685 11.025 1.770 1.00 0.00 C ATOM 478 OH TYR A 32 -13.572 11.337 0.760 1.00 0.00 O ATOM 0 H TYR A 32 -8.801 8.668 2.558 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.196 8.887 5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.508 9.878 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.346 10.996 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.526 8.577 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.455 12.286 4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.115 9.136 0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.049 12.839 2.864 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.983 12.208 0.943 1.00 0.00 H new ATOM 488 N HIS A 33 -9.124 6.550 4.152 1.00 0.00 N ATOM 489 CA HIS A 33 -9.790 5.209 4.159 1.00 0.00 C ATOM 490 C HIS A 33 -11.202 5.314 3.529 1.00 0.00 C ATOM 491 O HIS A 33 -12.100 4.564 3.845 1.00 0.00 O ATOM 492 CB HIS A 33 -9.808 4.830 5.652 1.00 0.00 C ATOM 493 CG HIS A 33 -10.671 3.632 5.909 1.00 0.00 C ATOM 494 ND1 HIS A 33 -11.986 3.539 6.242 1.00 0.00 N flip ATOM 495 CD2 HIS A 33 -10.195 2.333 5.854 1.00 0.00 C flip ATOM 496 CE1 HIS A 33 -12.343 2.203 6.401 1.00 0.00 C flip ATOM 497 NE2 HIS A 33 -11.223 1.516 6.154 1.00 0.00 N flip ATOM 0 H HIS A 33 -8.215 6.577 3.689 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.283 4.448 3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.791 4.625 5.988 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.173 5.674 6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.186 2.031 5.615 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.313 1.808 6.666 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.155 0.499 6.188 1.00 0.00 H new ATOM 505 N SER A 34 -11.378 6.245 2.614 1.00 0.00 N ATOM 506 CA SER A 34 -12.698 6.441 1.925 1.00 0.00 C ATOM 507 C SER A 34 -13.817 6.730 2.940 1.00 0.00 C ATOM 508 O SER A 34 -14.254 5.862 3.671 1.00 0.00 O ATOM 509 CB SER A 34 -12.968 5.149 1.149 1.00 0.00 C ATOM 510 OG SER A 34 -12.366 5.235 -0.135 1.00 0.00 O ATOM 0 H SER A 34 -10.647 6.889 2.311 1.00 0.00 H new ATOM 0 HA SER A 34 -12.671 7.301 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.568 4.294 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.042 4.989 1.049 1.00 0.00 H new ATOM 0 HG SER A 34 -12.537 4.408 -0.632 1.00 0.00 H new ATOM 516 N GLN A 35 -14.267 7.959 2.994 1.00 0.00 N ATOM 517 CA GLN A 35 -15.336 8.339 3.972 1.00 0.00 C ATOM 518 C GLN A 35 -16.592 8.860 3.262 1.00 0.00 C ATOM 519 O GLN A 35 -17.662 8.885 3.841 1.00 0.00 O ATOM 520 CB GLN A 35 -14.698 9.443 4.816 1.00 0.00 C ATOM 521 CG GLN A 35 -13.365 8.936 5.373 1.00 0.00 C ATOM 522 CD GLN A 35 -13.632 7.854 6.420 1.00 0.00 C ATOM 523 OE1 GLN A 35 -14.163 8.130 7.477 1.00 0.00 O ATOM 524 NE2 GLN A 35 -13.288 6.624 6.170 1.00 0.00 N ATOM 0 H GLN A 35 -13.939 8.720 2.400 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.665 7.487 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.538 10.335 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.364 9.726 5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.751 8.534 4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.807 9.760 5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.842 6.389 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.464 5.895 6.861 1.00 0.00 H new ATOM 533 N VAL A 36 -16.476 9.265 2.017 1.00 0.00 N ATOM 534 CA VAL A 36 -17.665 9.774 1.256 1.00 0.00 C ATOM 535 C VAL A 36 -18.235 11.054 1.892 1.00 0.00 C ATOM 536 O VAL A 36 -19.438 11.222 1.945 1.00 0.00 O ATOM 537 CB VAL A 36 -18.698 8.634 1.304 1.00 0.00 C ATOM 538 CG1 VAL A 36 -19.727 8.858 0.194 1.00 0.00 C ATOM 539 CG2 VAL A 36 -18.144 7.209 1.181 1.00 0.00 C ATOM 0 H VAL A 36 -15.602 9.265 1.492 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.397 10.040 0.234 1.00 0.00 H new ATOM 0 HB VAL A 36 -19.128 8.684 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.466 8.057 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.225 9.815 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.224 8.861 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.965 6.494 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.624 7.102 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.448 7.017 1.998 1.00 0.00 H new ATOM 549 N ALA A 37 -17.379 11.955 2.352 1.00 0.00 N ATOM 550 CA ALA A 37 -17.846 13.250 2.978 1.00 0.00 C ATOM 551 C ALA A 37 -19.262 13.110 3.558 1.00 0.00 C ATOM 552 O ALA A 37 -20.235 13.544 2.965 1.00 0.00 O ATOM 553 CB ALA A 37 -17.829 14.266 1.833 1.00 0.00 C ATOM 0 H ALA A 37 -16.365 11.845 2.319 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.208 13.551 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.156 15.237 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.817 14.351 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.502 13.934 1.042 1.00 0.00 H new ATOM 559 N PHE A 38 -19.382 12.483 4.697 1.00 0.00 N ATOM 560 CA PHE A 38 -20.735 12.280 5.299 1.00 0.00 C ATOM 561 C PHE A 38 -21.091 13.406 6.297 1.00 0.00 C ATOM 562 O PHE A 38 -20.744 14.545 6.086 1.00 0.00 O ATOM 563 CB PHE A 38 -20.687 10.880 5.943 1.00 0.00 C ATOM 564 CG PHE A 38 -19.648 10.804 7.031 1.00 0.00 C ATOM 565 CD1 PHE A 38 -18.334 10.424 6.731 1.00 0.00 C ATOM 566 CD2 PHE A 38 -20.004 11.102 8.343 1.00 0.00 C ATOM 567 CE1 PHE A 38 -17.383 10.349 7.749 1.00 0.00 C ATOM 568 CE2 PHE A 38 -19.060 11.030 9.356 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.748 10.654 9.064 1.00 0.00 C ATOM 0 H PHE A 38 -18.605 12.103 5.237 1.00 0.00 H new ATOM 0 HA PHE A 38 -21.530 12.330 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -21.666 10.636 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -20.469 10.135 5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.057 10.189 5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -21.019 11.390 8.573 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.368 10.056 7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -19.340 11.265 10.372 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.014 10.599 9.854 1.00 0.00 H new ATOM 579 N ILE A 39 -21.833 13.104 7.339 1.00 0.00 N ATOM 580 CA ILE A 39 -22.289 14.169 8.309 1.00 0.00 C ATOM 581 C ILE A 39 -21.150 14.981 8.973 1.00 0.00 C ATOM 582 O ILE A 39 -21.349 16.139 9.289 1.00 0.00 O ATOM 583 CB ILE A 39 -23.104 13.432 9.393 1.00 0.00 C ATOM 584 CG1 ILE A 39 -22.186 12.556 10.255 1.00 0.00 C ATOM 585 CG2 ILE A 39 -24.178 12.547 8.747 1.00 0.00 C ATOM 586 CD1 ILE A 39 -22.369 12.923 11.728 1.00 0.00 C ATOM 0 H ILE A 39 -22.147 12.160 7.565 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.864 14.912 7.757 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.582 14.183 10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.420 11.503 10.100 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.147 12.699 9.960 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.744 12.034 9.525 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.853 13.166 8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.702 11.810 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -21.717 12.301 12.342 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -22.114 13.972 11.876 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -23.407 12.757 12.018 1.00 0.00 H new ATOM 598 N THR A 40 -19.987 14.421 9.225 1.00 0.00 N ATOM 599 CA THR A 40 -18.921 15.231 9.906 1.00 0.00 C ATOM 600 C THR A 40 -17.925 15.821 8.902 1.00 0.00 C ATOM 601 O THR A 40 -17.580 15.204 7.911 1.00 0.00 O ATOM 602 CB THR A 40 -18.209 14.260 10.856 1.00 0.00 C ATOM 603 OG1 THR A 40 -19.176 13.507 11.582 1.00 0.00 O ATOM 604 CG2 THR A 40 -17.338 15.052 11.834 1.00 0.00 C ATOM 0 H THR A 40 -19.733 13.460 8.995 1.00 0.00 H new ATOM 0 HA THR A 40 -19.357 16.080 10.433 1.00 0.00 H new ATOM 0 HB THR A 40 -17.582 13.581 10.278 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.895 12.569 11.625 1.00 0.00 H new ATOM 0 HG21 THR A 40 -16.831 14.363 12.510 1.00 0.00 H new ATOM 0 HG22 THR A 40 -16.597 15.626 11.278 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.965 15.732 12.411 1.00 0.00 H new ATOM 612 N LYS A 41 -17.454 17.019 9.174 1.00 0.00 N ATOM 613 CA LYS A 41 -16.462 17.677 8.264 1.00 0.00 C ATOM 614 C LYS A 41 -15.084 17.035 8.407 1.00 0.00 C ATOM 615 O LYS A 41 -14.226 17.209 7.563 1.00 0.00 O ATOM 616 CB LYS A 41 -16.429 19.147 8.689 1.00 0.00 C ATOM 617 CG LYS A 41 -17.767 19.809 8.337 1.00 0.00 C ATOM 618 CD LYS A 41 -18.043 19.659 6.834 1.00 0.00 C ATOM 619 CE LYS A 41 -18.751 18.321 6.570 1.00 0.00 C ATOM 620 NZ LYS A 41 -18.025 17.711 5.413 1.00 0.00 N ATOM 0 H LYS A 41 -17.717 17.570 9.991 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.742 17.569 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.244 19.223 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.611 19.664 8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.572 19.351 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.743 20.865 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.662 20.485 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.108 19.703 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.708 17.674 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.805 18.473 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.025 16.676 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.500 17.975 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.045 18.057 5.397 1.00 0.00 H new ATOM 634 N GLY A 42 -14.869 16.275 9.452 1.00 0.00 N ATOM 635 CA GLY A 42 -13.558 15.603 9.621 1.00 0.00 C ATOM 636 C GLY A 42 -13.467 14.419 8.648 1.00 0.00 C ATOM 637 O GLY A 42 -12.444 13.787 8.547 1.00 0.00 O ATOM 0 H GLY A 42 -15.548 16.095 10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.748 16.307 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.444 15.255 10.648 1.00 0.00 H new ATOM 641 N LEU A 43 -14.528 14.112 7.924 1.00 0.00 N ATOM 642 CA LEU A 43 -14.483 12.964 6.961 1.00 0.00 C ATOM 643 C LEU A 43 -14.267 11.644 7.713 1.00 0.00 C ATOM 644 O LEU A 43 -13.558 10.778 7.256 1.00 0.00 O ATOM 645 CB LEU A 43 -13.290 13.246 6.037 1.00 0.00 C ATOM 646 CG LEU A 43 -13.736 14.053 4.821 1.00 0.00 C ATOM 647 CD1 LEU A 43 -14.650 15.220 5.175 1.00 0.00 C ATOM 648 CD2 LEU A 43 -12.472 14.695 4.238 1.00 0.00 C ATOM 0 H LEU A 43 -15.418 14.608 7.962 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.415 12.870 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.521 13.794 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.843 12.306 5.713 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.269 13.377 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.930 15.752 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.547 14.843 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.127 15.901 5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.736 15.287 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.013 15.340 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.767 13.915 3.951 1.00 0.00 H new ATOM 660 N GLY A 44 -14.868 11.487 8.864 1.00 0.00 N ATOM 661 CA GLY A 44 -14.698 10.214 9.645 1.00 0.00 C ATOM 662 C GLY A 44 -13.217 9.910 9.922 1.00 0.00 C ATOM 663 O GLY A 44 -12.872 8.804 10.294 1.00 0.00 O ATOM 0 H GLY A 44 -15.471 12.184 9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.236 10.292 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.142 9.386 9.092 1.00 0.00 H new ATOM 667 N ILE A 45 -12.344 10.872 9.743 1.00 0.00 N ATOM 668 CA ILE A 45 -10.887 10.626 9.998 1.00 0.00 C ATOM 669 C ILE A 45 -10.655 10.144 11.441 1.00 0.00 C ATOM 670 O ILE A 45 -9.982 9.153 11.657 1.00 0.00 O ATOM 671 CB ILE A 45 -10.170 11.967 9.751 1.00 0.00 C ATOM 672 CG1 ILE A 45 -10.882 13.109 10.491 1.00 0.00 C ATOM 673 CG2 ILE A 45 -10.146 12.262 8.247 1.00 0.00 C ATOM 674 CD1 ILE A 45 -10.126 13.454 11.780 1.00 0.00 C ATOM 0 H ILE A 45 -12.575 11.815 9.432 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.502 9.846 9.341 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.150 11.894 10.129 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.941 13.988 9.849 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.905 12.817 10.727 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.639 13.211 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.614 11.464 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.168 12.321 7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.639 14.265 12.297 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.090 12.577 12.426 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.111 13.766 11.534 1.00 0.00 H new ATOM 686 N SER A 46 -11.203 10.828 12.427 1.00 0.00 N ATOM 687 CA SER A 46 -10.998 10.389 13.849 1.00 0.00 C ATOM 688 C SER A 46 -11.751 11.284 14.857 1.00 0.00 C ATOM 689 O SER A 46 -11.372 11.357 16.012 1.00 0.00 O ATOM 690 CB SER A 46 -9.487 10.501 14.087 1.00 0.00 C ATOM 691 OG SER A 46 -9.070 9.471 14.971 1.00 0.00 O ATOM 0 H SER A 46 -11.777 11.663 12.308 1.00 0.00 H new ATOM 0 HA SER A 46 -11.383 9.380 13.997 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.952 10.422 13.141 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.246 11.477 14.509 1.00 0.00 H new ATOM 0 HG SER A 46 -8.104 9.541 15.122 1.00 0.00 H new ATOM 697 N TYR A 47 -12.815 11.949 14.458 1.00 0.00 N ATOM 698 CA TYR A 47 -13.563 12.803 15.441 1.00 0.00 C ATOM 699 C TYR A 47 -14.435 11.920 16.353 1.00 0.00 C ATOM 700 O TYR A 47 -14.785 12.306 17.452 1.00 0.00 O ATOM 701 CB TYR A 47 -14.441 13.740 14.592 1.00 0.00 C ATOM 702 CG TYR A 47 -15.516 12.940 13.899 1.00 0.00 C ATOM 703 CD1 TYR A 47 -16.652 12.526 14.603 1.00 0.00 C ATOM 704 CD2 TYR A 47 -15.362 12.591 12.557 1.00 0.00 C ATOM 705 CE1 TYR A 47 -17.627 11.760 13.966 1.00 0.00 C ATOM 706 CE2 TYR A 47 -16.334 11.837 11.920 1.00 0.00 C ATOM 707 CZ TYR A 47 -17.470 11.414 12.625 1.00 0.00 C ATOM 708 OH TYR A 47 -18.431 10.649 12.006 1.00 0.00 O ATOM 0 H TYR A 47 -13.192 11.938 13.510 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.890 13.365 16.088 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.893 14.503 15.225 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -13.829 14.259 13.855 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -16.774 12.800 15.641 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -14.484 12.909 12.014 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -18.502 11.436 14.510 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -16.217 11.575 10.879 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.133 10.419 11.101 1.00 0.00 H new ATOM 718 N GLY A 48 -14.796 10.745 15.887 1.00 0.00 N ATOM 719 CA GLY A 48 -15.655 9.829 16.693 1.00 0.00 C ATOM 720 C GLY A 48 -16.777 9.298 15.793 1.00 0.00 C ATOM 721 O GLY A 48 -17.947 9.429 16.103 1.00 0.00 O ATOM 0 H GLY A 48 -14.527 10.382 14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.063 9.003 17.087 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.074 10.358 17.549 1.00 0.00 H new ATOM 725 N ARG A 49 -16.422 8.709 14.674 1.00 0.00 N ATOM 726 CA ARG A 49 -17.453 8.174 13.730 1.00 0.00 C ATOM 727 C ARG A 49 -18.315 7.100 14.410 1.00 0.00 C ATOM 728 O ARG A 49 -17.841 6.335 15.231 1.00 0.00 O ATOM 729 CB ARG A 49 -16.658 7.581 12.569 1.00 0.00 C ATOM 730 CG ARG A 49 -17.607 7.253 11.412 1.00 0.00 C ATOM 731 CD ARG A 49 -17.055 6.074 10.611 1.00 0.00 C ATOM 732 NE ARG A 49 -15.805 6.609 10.001 1.00 0.00 N ATOM 733 CZ ARG A 49 -15.011 5.815 9.326 1.00 0.00 C ATOM 734 NH1 ARG A 49 -15.496 5.048 8.382 1.00 0.00 N ATOM 735 NH2 ARG A 49 -13.733 5.789 9.597 1.00 0.00 N ATOM 0 H ARG A 49 -15.456 8.576 14.374 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.142 8.950 13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.896 8.287 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.138 6.679 12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.597 7.011 11.799 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.721 8.123 10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.851 5.216 11.252 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.761 5.743 9.850 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.567 7.595 10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.494 5.068 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.876 4.431 7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.355 6.386 10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.113 5.172 9.073 1.00 0.00 H new ATOM 749 N LYS A 50 -19.582 7.047 14.074 1.00 0.00 N ATOM 750 CA LYS A 50 -20.496 6.037 14.696 1.00 0.00 C ATOM 751 C LYS A 50 -20.831 4.891 13.722 1.00 0.00 C ATOM 752 O LYS A 50 -21.583 3.998 14.063 1.00 0.00 O ATOM 753 CB LYS A 50 -21.767 6.820 15.061 1.00 0.00 C ATOM 754 CG LYS A 50 -22.412 7.420 13.800 1.00 0.00 C ATOM 755 CD LYS A 50 -22.522 8.939 13.958 1.00 0.00 C ATOM 756 CE LYS A 50 -22.724 9.586 12.584 1.00 0.00 C ATOM 757 NZ LYS A 50 -24.205 9.691 12.431 1.00 0.00 N ATOM 0 H LYS A 50 -20.024 7.663 13.392 1.00 0.00 H new ATOM 0 HA LYS A 50 -20.032 5.566 15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -22.476 6.160 15.561 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.522 7.616 15.765 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -21.814 7.177 12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.400 6.987 13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -23.356 9.187 14.614 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.620 9.332 14.427 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -22.250 10.566 12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.286 8.979 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -24.429 10.141 11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -24.625 8.740 12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -24.594 10.265 13.206 1.00 0.00 H new ATOM 771 N LYS A 51 -20.292 4.918 12.515 1.00 0.00 N ATOM 772 CA LYS A 51 -20.572 3.845 11.491 1.00 0.00 C ATOM 773 C LYS A 51 -21.994 3.966 10.912 1.00 0.00 C ATOM 774 O LYS A 51 -22.266 3.460 9.839 1.00 0.00 O ATOM 775 CB LYS A 51 -20.388 2.494 12.198 1.00 0.00 C ATOM 776 CG LYS A 51 -18.924 2.325 12.619 1.00 0.00 C ATOM 777 CD LYS A 51 -18.160 1.546 11.540 1.00 0.00 C ATOM 778 CE LYS A 51 -17.794 2.484 10.385 1.00 0.00 C ATOM 779 NZ LYS A 51 -16.667 1.796 9.690 1.00 0.00 N ATOM 0 H LYS A 51 -19.660 5.651 12.192 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.889 3.945 10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.036 2.439 13.073 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.681 1.682 11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.464 3.302 12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.868 1.796 13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.257 1.108 11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.771 0.722 11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.640 2.637 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.495 3.466 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.354 2.372 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.876 1.669 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.985 0.866 9.349 1.00 0.00 H new ATOM 793 N ARG A 52 -22.898 4.636 11.591 1.00 0.00 N ATOM 794 CA ARG A 52 -24.283 4.790 11.049 1.00 0.00 C ATOM 795 C ARG A 52 -24.392 6.111 10.279 1.00 0.00 C ATOM 796 O ARG A 52 -25.461 6.498 9.850 1.00 0.00 O ATOM 797 CB ARG A 52 -25.220 4.802 12.266 1.00 0.00 C ATOM 798 CG ARG A 52 -24.792 3.761 13.316 1.00 0.00 C ATOM 799 CD ARG A 52 -24.427 2.414 12.665 1.00 0.00 C ATOM 800 NE ARG A 52 -25.520 2.130 11.686 1.00 0.00 N ATOM 801 CZ ARG A 52 -26.743 1.908 12.099 1.00 0.00 C ATOM 802 NH1 ARG A 52 -26.972 0.998 13.013 1.00 0.00 N ATOM 803 NH2 ARG A 52 -27.736 2.593 11.594 1.00 0.00 N ATOM 0 H ARG A 52 -22.735 5.081 12.494 1.00 0.00 H new ATOM 0 HA ARG A 52 -24.541 3.984 10.363 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -25.222 5.795 12.716 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -26.241 4.597 11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -23.936 4.139 13.875 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -25.600 3.612 14.032 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -23.459 2.469 12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -24.356 1.624 13.413 1.00 0.00 H new ATOM 0 HE ARG A 52 -25.312 2.109 10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -26.198 0.462 13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -27.925 0.826 13.334 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -27.557 3.299 10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -28.689 2.421 11.914 1.00 0.00 H new ATOM 817 N ARG A 53 -23.285 6.800 10.097 1.00 0.00 N ATOM 818 CA ARG A 53 -23.293 8.096 9.348 1.00 0.00 C ATOM 819 C ARG A 53 -23.904 7.918 7.950 1.00 0.00 C ATOM 820 O ARG A 53 -24.407 8.860 7.367 1.00 0.00 O ATOM 821 CB ARG A 53 -21.817 8.503 9.234 1.00 0.00 C ATOM 822 CG ARG A 53 -20.980 7.333 8.694 1.00 0.00 C ATOM 823 CD ARG A 53 -20.347 7.717 7.355 1.00 0.00 C ATOM 824 NE ARG A 53 -19.563 6.510 6.961 1.00 0.00 N ATOM 825 CZ ARG A 53 -18.408 6.647 6.361 1.00 0.00 C ATOM 826 NH1 ARG A 53 -17.400 7.193 6.995 1.00 0.00 N ATOM 827 NH2 ARG A 53 -18.261 6.234 5.129 1.00 0.00 N ATOM 0 H ARG A 53 -22.368 6.513 10.441 1.00 0.00 H new ATOM 0 HA ARG A 53 -23.892 8.851 9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -21.720 9.364 8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -21.441 8.808 10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -20.202 7.070 9.411 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -21.609 6.452 8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -21.106 7.959 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.706 8.593 7.454 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.927 5.578 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.515 7.512 7.957 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.500 7.299 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.046 5.806 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.362 6.340 4.660 1.00 0.00 H new ATOM 841 N GLN A 54 -23.873 6.719 7.413 1.00 0.00 N ATOM 842 CA GLN A 54 -24.463 6.493 6.057 1.00 0.00 C ATOM 843 C GLN A 54 -25.989 6.593 6.142 1.00 0.00 C ATOM 844 O GLN A 54 -26.620 7.226 5.319 1.00 0.00 O ATOM 845 CB GLN A 54 -24.039 5.076 5.636 1.00 0.00 C ATOM 846 CG GLN A 54 -22.519 4.918 5.766 1.00 0.00 C ATOM 847 CD GLN A 54 -22.122 3.478 5.426 1.00 0.00 C ATOM 848 OE1 GLN A 54 -21.637 3.210 4.345 1.00 0.00 O ATOM 849 NE2 GLN A 54 -22.308 2.536 6.310 1.00 0.00 N ATOM 0 H GLN A 54 -23.467 5.894 7.854 1.00 0.00 H new ATOM 0 HA GLN A 54 -24.120 7.234 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -24.543 4.337 6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -24.345 4.888 4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.012 5.613 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -22.203 5.164 6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -22.715 2.762 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.046 1.574 6.093 1.00 0.00 H new ATOM 858 N ARG A 55 -26.582 5.974 7.143 1.00 0.00 N ATOM 859 CA ARG A 55 -28.073 6.020 7.310 1.00 0.00 C ATOM 860 C ARG A 55 -28.788 5.515 6.040 1.00 0.00 C ATOM 861 O ARG A 55 -29.928 5.857 5.786 1.00 0.00 O ATOM 862 CB ARG A 55 -28.409 7.495 7.580 1.00 0.00 C ATOM 863 CG ARG A 55 -27.749 7.940 8.890 1.00 0.00 C ATOM 864 CD ARG A 55 -28.204 9.355 9.254 1.00 0.00 C ATOM 865 NE ARG A 55 -27.528 9.632 10.555 1.00 0.00 N ATOM 866 CZ ARG A 55 -28.229 10.018 11.589 1.00 0.00 C ATOM 867 NH1 ARG A 55 -28.984 9.158 12.225 1.00 0.00 N ATOM 868 NH2 ARG A 55 -28.176 11.263 11.987 1.00 0.00 N ATOM 0 H ARG A 55 -26.090 5.435 7.856 1.00 0.00 H new ATOM 0 HA ARG A 55 -28.406 5.375 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -28.059 8.115 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -29.489 7.627 7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -28.010 7.248 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -26.664 7.914 8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -27.911 10.076 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -29.288 9.413 9.348 1.00 0.00 H new ATOM 0 HE ARG A 55 -26.518 9.520 10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -29.025 8.188 11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -29.531 9.458 13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -27.588 11.932 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -28.723 11.564 12.794 1.00 0.00 H new ATOM 882 N ARG A 56 -28.126 4.695 5.251 1.00 0.00 N ATOM 883 CA ARG A 56 -28.759 4.156 4.004 1.00 0.00 C ATOM 884 C ARG A 56 -27.944 2.966 3.467 1.00 0.00 C ATOM 885 O ARG A 56 -27.784 2.798 2.273 1.00 0.00 O ATOM 886 CB ARG A 56 -28.748 5.323 3.007 1.00 0.00 C ATOM 887 CG ARG A 56 -27.340 5.511 2.431 1.00 0.00 C ATOM 888 CD ARG A 56 -26.937 6.979 2.533 1.00 0.00 C ATOM 889 NE ARG A 56 -27.160 7.514 1.161 1.00 0.00 N ATOM 890 CZ ARG A 56 -27.780 8.655 0.992 1.00 0.00 C ATOM 891 NH1 ARG A 56 -27.411 9.712 1.674 1.00 0.00 N ATOM 892 NH2 ARG A 56 -28.766 8.741 0.138 1.00 0.00 N ATOM 0 H ARG A 56 -27.172 4.377 5.420 1.00 0.00 H new ATOM 0 HA ARG A 56 -29.771 3.790 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -29.456 5.130 2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -29.072 6.238 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -26.628 4.889 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -27.316 5.188 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -27.541 7.508 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -25.896 7.086 2.838 1.00 0.00 H new ATOM 0 HE ARG A 56 -26.829 6.990 0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -26.639 9.647 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -27.895 10.600 1.541 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -29.052 7.920 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -29.250 9.629 0.005 1.00 0.00 H new ATOM 906 N ARG A 57 -27.431 2.140 4.344 1.00 0.00 N ATOM 907 CA ARG A 57 -26.627 0.962 3.893 1.00 0.00 C ATOM 908 C ARG A 57 -27.432 0.068 2.928 1.00 0.00 C ATOM 909 O ARG A 57 -26.906 -0.353 1.914 1.00 0.00 O ATOM 910 CB ARG A 57 -26.274 0.205 5.180 1.00 0.00 C ATOM 911 CG ARG A 57 -25.449 -1.042 4.848 1.00 0.00 C ATOM 912 CD ARG A 57 -23.998 -0.642 4.564 1.00 0.00 C ATOM 913 NE ARG A 57 -23.377 -1.894 4.037 1.00 0.00 N ATOM 914 CZ ARG A 57 -22.518 -2.563 4.767 1.00 0.00 C ATOM 915 NH1 ARG A 57 -22.797 -2.851 6.012 1.00 0.00 N ATOM 916 NH2 ARG A 57 -21.382 -2.949 4.246 1.00 0.00 N ATOM 0 H ARG A 57 -27.534 2.230 5.355 1.00 0.00 H new ATOM 0 HA ARG A 57 -25.738 1.268 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -25.712 0.855 5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -27.186 -0.082 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -25.486 -1.746 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -25.872 -1.550 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -23.942 0.168 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -23.495 -0.296 5.467 1.00 0.00 H new ATOM 0 HE ARG A 57 -23.622 -2.230 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -23.685 -2.555 6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.127 -3.372 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.166 -2.729 3.274 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.712 -3.470 4.812 1.00 0.00 H new ATOM 930 N PRO A 58 -28.680 -0.201 3.265 1.00 0.00 N ATOM 931 CA PRO A 58 -29.526 -1.060 2.394 1.00 0.00 C ATOM 932 C PRO A 58 -29.991 -0.326 1.120 1.00 0.00 C ATOM 933 O PRO A 58 -30.615 -0.926 0.263 1.00 0.00 O ATOM 934 CB PRO A 58 -30.723 -1.401 3.278 1.00 0.00 C ATOM 935 CG PRO A 58 -30.803 -0.278 4.264 1.00 0.00 C ATOM 936 CD PRO A 58 -29.405 0.250 4.465 1.00 0.00 C ATOM 0 HA PRO A 58 -28.982 -1.934 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -31.638 -1.478 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -30.584 -2.359 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -31.461 0.509 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -31.221 -0.626 5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -29.397 1.337 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -28.956 -0.146 5.376 1.00 0.00 H new ATOM 944 N SER A 59 -29.715 0.954 0.976 1.00 0.00 N ATOM 945 CA SER A 59 -30.176 1.674 -0.252 1.00 0.00 C ATOM 946 C SER A 59 -29.115 1.654 -1.353 1.00 0.00 C ATOM 947 O SER A 59 -27.948 1.403 -1.111 1.00 0.00 O ATOM 948 CB SER A 59 -30.456 3.111 0.180 1.00 0.00 C ATOM 949 OG SER A 59 -29.236 3.831 0.302 1.00 0.00 O ATOM 0 H SER A 59 -29.198 1.521 1.648 1.00 0.00 H new ATOM 0 HA SER A 59 -31.061 1.191 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 59 -31.104 3.598 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 59 -30.987 3.116 1.132 1.00 0.00 H new ATOM 0 HG SER A 59 -28.702 3.449 1.030 1.00 0.00 H new ATOM 955 N GLN A 60 -29.538 1.934 -2.562 1.00 0.00 N ATOM 956 CA GLN A 60 -28.618 1.958 -3.734 1.00 0.00 C ATOM 957 C GLN A 60 -29.443 2.247 -5.007 1.00 0.00 C ATOM 958 O GLN A 60 -29.917 3.350 -5.205 1.00 0.00 O ATOM 959 CB GLN A 60 -27.981 0.564 -3.769 1.00 0.00 C ATOM 960 CG GLN A 60 -26.858 0.520 -4.807 1.00 0.00 C ATOM 961 CD GLN A 60 -26.890 -0.822 -5.549 1.00 0.00 C ATOM 962 OE1 GLN A 60 -27.283 -1.902 -4.921 1.00 0.00 O flip ATOM 963 NE2 GLN A 60 -26.552 -0.891 -6.716 1.00 0.00 N flip ATOM 0 H GLN A 60 -30.509 2.152 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.850 2.729 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.586 0.312 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -28.737 -0.183 -4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.972 1.341 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -25.893 0.653 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -26.245 -0.052 -7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -26.575 -1.788 -7.202 1.00 0.00 H new ATOM 972 N GLY A 61 -29.621 1.274 -5.866 1.00 0.00 N ATOM 973 CA GLY A 61 -30.407 1.497 -7.114 1.00 0.00 C ATOM 974 C GLY A 61 -29.474 2.083 -8.166 1.00 0.00 C ATOM 975 O GLY A 61 -29.660 3.195 -8.624 1.00 0.00 O ATOM 0 H GLY A 61 -29.252 0.330 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -30.835 0.559 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -31.239 2.175 -6.923 1.00 0.00 H new ATOM 979 N GLY A 62 -28.451 1.349 -8.528 1.00 0.00 N ATOM 980 CA GLY A 62 -27.475 1.866 -9.525 1.00 0.00 C ATOM 981 C GLY A 62 -26.691 3.020 -8.885 1.00 0.00 C ATOM 982 O GLY A 62 -26.188 3.892 -9.568 1.00 0.00 O ATOM 0 H GLY A 62 -28.253 0.413 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -26.795 1.073 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -27.994 2.211 -10.420 1.00 0.00 H new ATOM 986 N GLN A 63 -26.594 3.030 -7.572 1.00 0.00 N ATOM 987 CA GLN A 63 -25.857 4.121 -6.877 1.00 0.00 C ATOM 988 C GLN A 63 -24.352 3.890 -6.935 1.00 0.00 C ATOM 989 O GLN A 63 -23.577 4.820 -6.863 1.00 0.00 O ATOM 990 CB GLN A 63 -26.322 4.061 -5.422 1.00 0.00 C ATOM 991 CG GLN A 63 -27.615 4.851 -5.264 1.00 0.00 C ATOM 992 CD GLN A 63 -27.306 6.279 -4.806 1.00 0.00 C ATOM 993 OE1 GLN A 63 -27.520 6.618 -3.658 1.00 0.00 O ATOM 994 NE2 GLN A 63 -26.811 7.137 -5.656 1.00 0.00 N ATOM 0 H GLN A 63 -26.998 2.324 -6.957 1.00 0.00 H new ATOM 0 HA GLN A 63 -26.054 5.086 -7.344 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -26.479 3.025 -5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -25.552 4.469 -4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -28.155 4.873 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -28.264 4.360 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -26.631 6.854 -6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -26.604 8.090 -5.357 1.00 0.00 H new ATOM 1003 N THR A 64 -23.936 2.649 -7.015 1.00 0.00 N ATOM 1004 CA THR A 64 -22.479 2.339 -7.015 1.00 0.00 C ATOM 1005 C THR A 64 -21.853 3.009 -5.801 1.00 0.00 C ATOM 1006 O THR A 64 -21.021 3.887 -5.901 1.00 0.00 O ATOM 1007 CB THR A 64 -21.903 2.917 -8.291 1.00 0.00 C ATOM 1008 OG1 THR A 64 -22.607 2.410 -9.411 1.00 0.00 O ATOM 1009 CG2 THR A 64 -20.424 2.535 -8.385 1.00 0.00 C ATOM 0 H THR A 64 -24.549 1.836 -7.080 1.00 0.00 H new ATOM 0 HA THR A 64 -22.285 1.267 -6.969 1.00 0.00 H new ATOM 0 HB THR A 64 -22.001 4.003 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.477 1.440 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.999 2.946 -9.301 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.889 2.937 -7.524 1.00 0.00 H new ATOM 0 HG23 THR A 64 -20.329 1.449 -8.397 1.00 0.00 H new ATOM 1017 N HIS A 65 -22.276 2.603 -4.654 1.00 0.00 N ATOM 1018 CA HIS A 65 -21.752 3.193 -3.403 1.00 0.00 C ATOM 1019 C HIS A 65 -20.294 2.759 -3.180 1.00 0.00 C ATOM 1020 O HIS A 65 -19.620 2.317 -4.090 1.00 0.00 O ATOM 1021 CB HIS A 65 -22.672 2.628 -2.327 1.00 0.00 C ATOM 1022 CG HIS A 65 -23.934 3.444 -2.225 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -25.161 2.859 -1.946 1.00 0.00 N ATOM 1024 CD2 HIS A 65 -24.185 4.789 -2.364 1.00 0.00 C ATOM 1025 CE1 HIS A 65 -26.082 3.836 -1.925 1.00 0.00 C ATOM 1026 NE2 HIS A 65 -25.543 5.030 -2.172 1.00 0.00 N ATOM 0 H HIS A 65 -22.976 1.873 -4.523 1.00 0.00 H new ATOM 0 HA HIS A 65 -21.742 4.283 -3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -22.920 1.593 -2.560 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -22.157 2.624 -1.366 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -23.444 5.542 -2.587 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -27.132 3.674 -1.731 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -26.023 5.929 -2.212 1.00 0.00 H new ATOM 1034 N GLN A 66 -19.791 2.917 -1.992 1.00 0.00 N ATOM 1035 CA GLN A 66 -18.374 2.545 -1.721 1.00 0.00 C ATOM 1036 C GLN A 66 -18.309 1.350 -0.769 1.00 0.00 C ATOM 1037 O GLN A 66 -17.646 0.367 -1.033 1.00 0.00 O ATOM 1038 CB GLN A 66 -17.766 3.788 -1.075 1.00 0.00 C ATOM 1039 CG GLN A 66 -17.652 4.905 -2.117 1.00 0.00 C ATOM 1040 CD GLN A 66 -18.964 5.698 -2.173 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -19.264 6.460 -1.281 1.00 0.00 O ATOM 1042 NE2 GLN A 66 -19.766 5.551 -3.191 1.00 0.00 N ATOM 0 H GLN A 66 -20.301 3.290 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.840 2.250 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -18.386 4.117 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.782 3.554 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -16.826 5.569 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -17.431 4.480 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -19.520 4.911 -3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -20.639 6.076 -3.232 1.00 0.00 H new ATOM 1051 N ASP A 67 -18.994 1.444 0.336 1.00 0.00 N ATOM 1052 CA ASP A 67 -18.995 0.331 1.331 1.00 0.00 C ATOM 1053 C ASP A 67 -19.954 -0.806 0.904 1.00 0.00 C ATOM 1054 O ASP A 67 -19.615 -1.964 1.048 1.00 0.00 O ATOM 1055 CB ASP A 67 -19.454 0.991 2.639 1.00 0.00 C ATOM 1056 CG ASP A 67 -19.791 -0.069 3.692 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -18.941 -0.903 3.966 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -20.893 -0.023 4.212 1.00 0.00 O ATOM 0 H ASP A 67 -19.560 2.252 0.597 1.00 0.00 H new ATOM 0 HA ASP A 67 -18.016 -0.139 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.670 1.648 3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -20.328 1.614 2.450 1.00 0.00 H new ATOM 1063 N PRO A 68 -21.124 -0.448 0.399 1.00 0.00 N ATOM 1064 CA PRO A 68 -22.112 -1.465 -0.037 1.00 0.00 C ATOM 1065 C PRO A 68 -21.930 -1.883 -1.518 1.00 0.00 C ATOM 1066 O PRO A 68 -22.507 -2.863 -1.947 1.00 0.00 O ATOM 1067 CB PRO A 68 -23.446 -0.751 0.152 1.00 0.00 C ATOM 1068 CG PRO A 68 -23.134 0.717 0.063 1.00 0.00 C ATOM 1069 CD PRO A 68 -21.640 0.907 0.208 1.00 0.00 C ATOM 0 HA PRO A 68 -22.016 -2.393 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -24.161 -1.047 -0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -23.891 -1.000 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -23.475 1.118 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -23.662 1.263 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -21.210 1.376 -0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -21.400 1.548 1.056 1.00 0.00 H new ATOM 1077 N ILE A 69 -21.156 -1.158 -2.309 1.00 0.00 N ATOM 1078 CA ILE A 69 -20.978 -1.538 -3.746 1.00 0.00 C ATOM 1079 C ILE A 69 -19.521 -1.971 -4.095 1.00 0.00 C ATOM 1080 O ILE A 69 -19.170 -2.017 -5.259 1.00 0.00 O ATOM 1081 CB ILE A 69 -21.407 -0.257 -4.495 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -22.720 -0.517 -5.228 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -20.346 0.181 -5.505 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -23.721 -1.166 -4.280 1.00 0.00 C ATOM 0 H ILE A 69 -20.646 -0.325 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.564 -2.416 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 69 -21.531 0.540 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -23.124 0.420 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -22.545 -1.165 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -20.680 1.085 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -19.410 0.382 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -20.191 -0.612 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -24.657 -1.349 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -23.318 -2.111 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -23.906 -0.502 -3.435 1.00 0.00 H new ATOM 1096 N PRO A 70 -18.710 -2.314 -3.109 1.00 0.00 N ATOM 1097 CA PRO A 70 -17.319 -2.748 -3.411 1.00 0.00 C ATOM 1098 C PRO A 70 -17.313 -4.099 -4.151 1.00 0.00 C ATOM 1099 O PRO A 70 -16.267 -4.591 -4.535 1.00 0.00 O ATOM 1100 CB PRO A 70 -16.670 -2.876 -2.035 1.00 0.00 C ATOM 1101 CG PRO A 70 -17.816 -3.125 -1.115 1.00 0.00 C ATOM 1102 CD PRO A 70 -18.980 -2.350 -1.668 1.00 0.00 C ATOM 0 HA PRO A 70 -16.792 -2.050 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.951 -3.695 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.130 -1.969 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.048 -4.189 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.579 -2.800 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.929 -2.839 -1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.033 -1.347 -1.244 1.00 0.00 H new ATOM 1110 N LYS A 71 -18.466 -4.702 -4.359 1.00 0.00 N ATOM 1111 CA LYS A 71 -18.506 -6.013 -5.077 1.00 0.00 C ATOM 1112 C LYS A 71 -18.551 -5.799 -6.600 1.00 0.00 C ATOM 1113 O LYS A 71 -17.962 -6.555 -7.350 1.00 0.00 O ATOM 1114 CB LYS A 71 -19.778 -6.727 -4.583 1.00 0.00 C ATOM 1115 CG LYS A 71 -21.016 -5.835 -4.773 1.00 0.00 C ATOM 1116 CD LYS A 71 -21.838 -5.780 -3.482 1.00 0.00 C ATOM 1117 CE LYS A 71 -20.959 -5.302 -2.319 1.00 0.00 C ATOM 1118 NZ LYS A 71 -21.786 -5.554 -1.102 1.00 0.00 N ATOM 0 H LYS A 71 -19.373 -4.342 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 71 -17.615 -6.607 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.911 -7.661 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -19.669 -6.986 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.707 -4.829 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.630 -6.222 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -22.685 -5.106 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -22.246 -6.766 -3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -20.018 -5.850 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.709 -4.246 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.162 -5.735 -0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -22.377 -4.721 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -22.395 -6.382 -1.262 1.00 0.00 H new ATOM 1132 N GLN A 72 -19.248 -4.784 -7.065 1.00 0.00 N ATOM 1133 CA GLN A 72 -19.334 -4.538 -8.538 1.00 0.00 C ATOM 1134 C GLN A 72 -19.817 -3.107 -8.809 1.00 0.00 C ATOM 1135 O GLN A 72 -20.250 -2.419 -7.902 1.00 0.00 O ATOM 1136 CB GLN A 72 -20.361 -5.555 -9.082 1.00 0.00 C ATOM 1137 CG GLN A 72 -21.319 -6.038 -7.978 1.00 0.00 C ATOM 1138 CD GLN A 72 -22.502 -5.072 -7.830 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -22.389 -3.995 -7.085 1.00 0.00 O flip ATOM 1140 NE2 GLN A 72 -23.553 -5.306 -8.394 1.00 0.00 N flip ATOM 0 H GLN A 72 -19.759 -4.118 -6.486 1.00 0.00 H new ATOM 0 HA GLN A 72 -18.362 -4.653 -9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -20.935 -5.098 -9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -19.836 -6.410 -9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -21.685 -7.036 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -20.784 -6.114 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -23.646 -6.140 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -24.342 -4.668 -8.288 1.00 0.00 H new ATOM 1149 N PRO A 73 -19.746 -2.709 -10.057 1.00 0.00 N ATOM 1150 CA PRO A 73 -20.207 -1.353 -10.447 1.00 0.00 C ATOM 1151 C PRO A 73 -21.725 -1.256 -10.251 1.00 0.00 C ATOM 1152 O PRO A 73 -22.217 -0.340 -9.619 1.00 0.00 O ATOM 1153 CB PRO A 73 -19.819 -1.252 -11.921 1.00 0.00 C ATOM 1154 CG PRO A 73 -19.752 -2.675 -12.379 1.00 0.00 C ATOM 1155 CD PRO A 73 -19.241 -3.471 -11.208 1.00 0.00 C ATOM 0 HA PRO A 73 -19.770 -0.547 -9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.556 -0.685 -12.489 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.861 -0.747 -12.047 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.734 -3.030 -12.692 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.088 -2.776 -13.238 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.621 -4.493 -11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.153 -3.535 -11.206 1.00 0.00 H new ATOM 1163 N SER A 74 -22.461 -2.221 -10.766 1.00 0.00 N ATOM 1164 CA SER A 74 -23.949 -2.237 -10.604 1.00 0.00 C ATOM 1165 C SER A 74 -24.562 -0.877 -10.961 1.00 0.00 C ATOM 1166 O SER A 74 -25.285 -0.291 -10.180 1.00 0.00 O ATOM 1167 CB SER A 74 -24.171 -2.576 -9.127 1.00 0.00 C ATOM 1168 OG SER A 74 -25.349 -3.357 -8.991 1.00 0.00 O ATOM 0 H SER A 74 -22.084 -3.006 -11.298 1.00 0.00 H new ATOM 0 HA SER A 74 -24.428 -2.957 -11.268 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.313 -3.122 -8.736 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.260 -1.660 -8.542 1.00 0.00 H new ATOM 0 HG SER A 74 -26.122 -2.841 -9.302 1.00 0.00 H new ATOM 1174 N SER A 75 -24.267 -0.387 -12.139 1.00 0.00 N ATOM 1175 CA SER A 75 -24.802 0.939 -12.598 1.00 0.00 C ATOM 1176 C SER A 75 -24.074 1.376 -13.882 1.00 0.00 C ATOM 1177 O SER A 75 -24.641 2.019 -14.744 1.00 0.00 O ATOM 1178 CB SER A 75 -24.501 1.914 -11.455 1.00 0.00 C ATOM 1179 OG SER A 75 -24.423 3.246 -11.952 1.00 0.00 O ATOM 0 H SER A 75 -23.667 -0.857 -12.817 1.00 0.00 H new ATOM 0 HA SER A 75 -25.868 0.900 -12.824 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.280 1.847 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 75 -23.562 1.642 -10.973 1.00 0.00 H new ATOM 0 HG SER A 75 -24.901 3.850 -11.346 1.00 0.00 H new ATOM 1185 N GLN A 76 -22.818 1.024 -14.000 1.00 0.00 N ATOM 1186 CA GLN A 76 -22.016 1.393 -15.207 1.00 0.00 C ATOM 1187 C GLN A 76 -22.281 0.415 -16.372 1.00 0.00 C ATOM 1188 O GLN A 76 -22.373 0.836 -17.508 1.00 0.00 O ATOM 1189 CB GLN A 76 -20.558 1.289 -14.750 1.00 0.00 C ATOM 1190 CG GLN A 76 -20.216 2.469 -13.837 1.00 0.00 C ATOM 1191 CD GLN A 76 -20.001 1.964 -12.409 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -18.889 1.696 -12.007 1.00 0.00 O ATOM 1193 NE2 GLN A 76 -21.026 1.824 -11.619 1.00 0.00 N ATOM 0 H GLN A 76 -22.306 0.488 -13.299 1.00 0.00 H new ATOM 0 HA GLN A 76 -22.272 2.387 -15.575 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -20.399 0.350 -14.220 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -19.895 1.283 -15.615 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -19.318 2.971 -14.195 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -21.021 3.203 -13.857 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -21.963 2.049 -11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -20.892 1.490 -10.665 1.00 0.00 H new ATOM 1202 N PRO A 77 -22.394 -0.864 -16.077 1.00 0.00 N ATOM 1203 CA PRO A 77 -22.636 -1.847 -17.149 1.00 0.00 C ATOM 1204 C PRO A 77 -24.136 -1.980 -17.460 1.00 0.00 C ATOM 1205 O PRO A 77 -24.531 -2.850 -18.213 1.00 0.00 O ATOM 1206 CB PRO A 77 -22.087 -3.146 -16.567 1.00 0.00 C ATOM 1207 CG PRO A 77 -22.157 -2.981 -15.076 1.00 0.00 C ATOM 1208 CD PRO A 77 -22.320 -1.513 -14.760 1.00 0.00 C ATOM 0 HA PRO A 77 -22.166 -1.565 -18.091 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -22.676 -4.002 -16.895 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -21.062 -3.320 -16.895 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -22.994 -3.550 -14.671 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -21.252 -3.370 -14.610 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -23.221 -1.330 -14.175 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -21.480 -1.136 -14.177 1.00 0.00 H new ATOM 1216 N ARG A 78 -24.982 -1.141 -16.886 1.00 0.00 N ATOM 1217 CA ARG A 78 -26.452 -1.268 -17.164 1.00 0.00 C ATOM 1218 C ARG A 78 -27.286 -0.169 -16.472 1.00 0.00 C ATOM 1219 O ARG A 78 -28.321 0.226 -16.975 1.00 0.00 O ATOM 1220 CB ARG A 78 -26.832 -2.634 -16.575 1.00 0.00 C ATOM 1221 CG ARG A 78 -26.441 -2.666 -15.088 1.00 0.00 C ATOM 1222 CD ARG A 78 -26.655 -4.066 -14.510 1.00 0.00 C ATOM 1223 NE ARG A 78 -26.419 -3.888 -13.046 1.00 0.00 N ATOM 1224 CZ ARG A 78 -26.289 -4.931 -12.270 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -25.141 -5.555 -12.202 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -27.305 -5.345 -11.560 1.00 0.00 N ATOM 0 H ARG A 78 -24.720 -0.389 -16.249 1.00 0.00 H new ATOM 0 HA ARG A 78 -26.653 -1.170 -18.231 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -27.902 -2.807 -16.686 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -26.322 -3.432 -17.115 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -25.397 -2.374 -14.974 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -27.037 -1.942 -14.533 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -27.662 -4.432 -14.711 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -25.961 -4.787 -14.942 1.00 0.00 H new ATOM 0 HE ARG A 78 -26.359 -2.950 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -24.349 -5.227 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -25.038 -6.369 -11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -28.198 -4.854 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -27.205 -6.159 -10.954 1.00 0.00 H new ATOM 1240 N GLY A 79 -26.875 0.288 -15.308 1.00 0.00 N ATOM 1241 CA GLY A 79 -27.671 1.318 -14.565 1.00 0.00 C ATOM 1242 C GLY A 79 -27.699 2.664 -15.299 1.00 0.00 C ATOM 1243 O GLY A 79 -27.874 2.730 -16.502 1.00 0.00 O ATOM 0 H GLY A 79 -26.019 -0.011 -14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -28.691 0.959 -14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -27.246 1.456 -13.571 1.00 0.00 H new ATOM 1247 N ASP A 80 -27.544 3.741 -14.571 1.00 0.00 N ATOM 1248 CA ASP A 80 -27.580 5.096 -15.205 1.00 0.00 C ATOM 1249 C ASP A 80 -26.295 5.349 -16.002 1.00 0.00 C ATOM 1250 O ASP A 80 -25.256 4.798 -15.693 1.00 0.00 O ATOM 1251 CB ASP A 80 -27.693 6.084 -14.041 1.00 0.00 C ATOM 1252 CG ASP A 80 -29.120 6.062 -13.484 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -29.375 5.268 -12.595 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -29.931 6.840 -13.956 1.00 0.00 O ATOM 0 H ASP A 80 -27.394 3.741 -13.562 1.00 0.00 H new ATOM 0 HA ASP A 80 -28.410 5.196 -15.904 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -26.982 5.821 -13.258 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -27.439 7.089 -14.378 1.00 0.00 H new ATOM 1259 N PRO A 81 -26.415 6.177 -17.014 1.00 0.00 N ATOM 1260 CA PRO A 81 -25.252 6.503 -17.877 1.00 0.00 C ATOM 1261 C PRO A 81 -24.197 7.291 -17.095 1.00 0.00 C ATOM 1262 O PRO A 81 -24.494 8.281 -16.451 1.00 0.00 O ATOM 1263 CB PRO A 81 -25.856 7.355 -18.992 1.00 0.00 C ATOM 1264 CG PRO A 81 -27.091 7.934 -18.381 1.00 0.00 C ATOM 1265 CD PRO A 81 -27.630 6.885 -17.444 1.00 0.00 C ATOM 0 HA PRO A 81 -24.742 5.616 -18.254 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -25.167 8.136 -19.314 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.090 6.754 -19.871 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -26.864 8.855 -17.844 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -27.824 8.184 -19.148 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.159 7.329 -16.601 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -28.331 6.217 -17.945 1.00 0.00 H new ATOM 1273 N THR A 82 -22.962 6.859 -17.161 1.00 0.00 N ATOM 1274 CA THR A 82 -21.873 7.579 -16.439 1.00 0.00 C ATOM 1275 C THR A 82 -20.873 8.156 -17.449 1.00 0.00 C ATOM 1276 O THR A 82 -20.343 9.234 -17.259 1.00 0.00 O ATOM 1277 CB THR A 82 -21.198 6.544 -15.529 1.00 0.00 C ATOM 1278 OG1 THR A 82 -20.892 5.375 -16.264 1.00 0.00 O ATOM 1279 CG2 THR A 82 -22.139 6.192 -14.373 1.00 0.00 C ATOM 0 H THR A 82 -22.663 6.037 -17.685 1.00 0.00 H new ATOM 0 HA THR A 82 -22.259 8.413 -15.853 1.00 0.00 H new ATOM 0 HB THR A 82 -20.274 6.965 -15.134 1.00 0.00 H new ATOM 0 HG1 THR A 82 -20.984 4.590 -15.684 1.00 0.00 H new ATOM 0 HG21 THR A 82 -21.661 5.457 -13.726 1.00 0.00 H new ATOM 0 HG22 THR A 82 -22.362 7.091 -13.798 1.00 0.00 H new ATOM 0 HG23 THR A 82 -23.065 5.777 -14.771 1.00 0.00 H new ATOM 1287 N GLY A 83 -20.620 7.449 -18.528 1.00 0.00 N ATOM 1288 CA GLY A 83 -19.665 7.952 -19.555 1.00 0.00 C ATOM 1289 C GLY A 83 -19.206 6.790 -20.453 1.00 0.00 C ATOM 1290 O GLY A 83 -19.830 6.499 -21.456 1.00 0.00 O ATOM 0 H GLY A 83 -21.038 6.543 -18.737 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.140 8.725 -20.159 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -18.804 8.411 -19.070 1.00 0.00 H new ATOM 1294 N PRO A 84 -18.119 6.168 -20.056 1.00 0.00 N ATOM 1295 CA PRO A 84 -17.533 5.036 -20.795 1.00 0.00 C ATOM 1296 C PRO A 84 -17.917 3.707 -20.125 1.00 0.00 C ATOM 1297 O PRO A 84 -17.237 2.706 -20.261 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.038 5.310 -20.640 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.919 6.138 -19.375 1.00 0.00 C ATOM 1300 CD PRO A 84 -17.317 6.449 -18.884 1.00 0.00 C ATOM 0 HA PRO A 84 -17.863 4.953 -21.831 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.473 4.381 -20.558 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.644 5.848 -21.502 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.361 5.593 -18.614 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.371 7.059 -19.573 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -17.600 5.824 -18.037 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -17.415 7.486 -18.562 1.00 0.00 H new ATOM 1308 N LYS A 85 -19.006 3.704 -19.406 1.00 0.00 N ATOM 1309 CA LYS A 85 -19.477 2.468 -18.709 1.00 0.00 C ATOM 1310 C LYS A 85 -20.268 1.586 -19.672 1.00 0.00 C ATOM 1311 O LYS A 85 -20.487 0.415 -19.426 1.00 0.00 O ATOM 1312 CB LYS A 85 -20.428 2.994 -17.631 1.00 0.00 C ATOM 1313 CG LYS A 85 -21.579 3.767 -18.309 1.00 0.00 C ATOM 1314 CD LYS A 85 -22.891 3.582 -17.545 1.00 0.00 C ATOM 1315 CE LYS A 85 -24.013 3.219 -18.525 1.00 0.00 C ATOM 1316 NZ LYS A 85 -25.048 2.554 -17.680 1.00 0.00 N ATOM 0 H LYS A 85 -19.602 4.520 -19.268 1.00 0.00 H new ATOM 0 HA LYS A 85 -18.652 1.875 -18.316 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -20.825 2.166 -17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.892 3.646 -16.942 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.330 4.827 -18.359 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -21.700 3.420 -19.335 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -22.780 2.797 -16.797 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -23.144 4.498 -17.010 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -24.412 4.106 -19.017 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -23.654 2.553 -19.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -25.241 1.602 -18.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -24.703 2.480 -16.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -25.923 3.116 -17.697 1.00 0.00 H new ATOM 1330 N GLU A 86 -20.723 2.160 -20.748 1.00 0.00 N ATOM 1331 CA GLU A 86 -21.541 1.403 -21.725 1.00 0.00 C ATOM 1332 C GLU A 86 -20.661 0.460 -22.558 1.00 0.00 C ATOM 1333 O GLU A 86 -19.673 0.925 -23.105 1.00 0.00 O ATOM 1334 CB GLU A 86 -22.177 2.489 -22.602 1.00 0.00 C ATOM 1335 CG GLU A 86 -22.820 3.561 -21.708 1.00 0.00 C ATOM 1336 CD GLU A 86 -23.774 4.424 -22.537 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -23.311 5.387 -23.125 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -24.952 4.110 -22.566 1.00 0.00 O ATOM 1339 OXT GLU A 86 -20.989 -0.713 -22.628 1.00 0.00 O ATOM 0 H GLU A 86 -20.559 3.136 -20.993 1.00 0.00 H new ATOM 0 HA GLU A 86 -22.287 0.768 -21.247 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.421 2.942 -23.244 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -22.929 2.048 -23.257 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -23.362 3.088 -20.889 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -22.047 4.185 -21.260 1.00 0.00 H new TER 1346 GLU A 86