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 19 LYS NZ :NH3+ 180:sc= -0.0246 (180deg=-0.0246) USER MOD Set 1.2: A 64 THR OG1 : rot -81:sc= 0.563 USER MOD Set 1.3: A 76 GLN : amide:sc= -1.16 K(o=-0.62,f=-2.4) USER MOD Set 2.1: A 72 GLN :FLIP amide:sc= -2.86! C(o=-4.1!,f=-2!) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0.882 USER MOD Set 3.1: A 63 GLN :FLIP amide:sc= -0.654 F(o=-7.6,f=-5.9) USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -5.26! C(o=-7.6!,f=-5.9!) USER MOD Set 4.1: A 35 GLN : amide:sc= -1.98! C(o=-2!,f=-3!) USER MOD Set 4.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 16 SER OG : rot -32:sc= 0.326 USER MOD Set 5.2: A 17 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0.33) USER MOD Set 6.1: A 7 ASN : amide:sc= 0.465 X(o=-1.6,f=-2.1) USER MOD Set 6.2: A 41 LYS NZ :NH3+ -178:sc= -2.06 (180deg=-2.1) USER MOD Single : A 1 LEU N :NH3+ -108:sc= 0.00575 (180deg=-0.746) USER MOD Single : A 12 ASN : amide:sc= -1.27! X(o=-1.3!,f=-0.91) USER MOD Single : A 13 HIS :FLIP no HD1:sc= -3.14 F(o=-3.8,f=-3.1) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 22 SER OG : rot -40:sc= 0.799 USER MOD Single : A 23 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.42) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -7.53! C(o=-8.1!,f=-7.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 121:sc= 0.0239 (180deg=-0.312) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= 0.455 USER MOD Single : A 33 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 155:sc=0.000741 USER MOD Single : A 46 SER OG : rot -42:sc=0.000334 USER MOD Single : A 47 TYR OH : rot -1:sc= 0.893 USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= -2.18 (180deg=-5.98!) USER MOD Single : A 54 GLN : amide:sc= 0.201 X(o=0.2,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.76 K(o=-3.8,f=-5.6!) USER MOD Single : A 66 GLN :FLIP amide:sc= -3.48! C(o=-4.6!,f=-3.5!) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= 1.06 (180deg=-0.0702) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -116:sc= -0.494 USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= 0.848 (180deg=0.401) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -24.647 21.388 8.592 1.00 0.00 N ATOM 2 CA LEU A 1 -24.246 19.950 8.495 1.00 0.00 C ATOM 3 C LEU A 1 -25.315 19.045 9.117 1.00 0.00 C ATOM 4 O LEU A 1 -26.197 19.500 9.821 1.00 0.00 O ATOM 5 CB LEU A 1 -22.914 19.837 9.256 1.00 0.00 C ATOM 6 CG LEU A 1 -23.128 20.073 10.757 1.00 0.00 C ATOM 7 CD1 LEU A 1 -23.114 18.769 11.561 1.00 0.00 C ATOM 8 CD2 LEU A 1 -22.061 21.045 11.271 1.00 0.00 C ATOM 0 H1 LEU A 1 -24.911 21.739 7.649 1.00 0.00 H new ATOM 0 H2 LEU A 1 -25.459 21.479 9.235 1.00 0.00 H new ATOM 0 H3 LEU A 1 -23.850 21.947 8.959 1.00 0.00 H new ATOM 0 HA LEU A 1 -24.139 19.631 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -22.480 18.850 9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -22.203 20.565 8.866 1.00 0.00 H new ATOM 0 HG LEU A 1 -24.118 20.507 10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -23.270 18.991 12.617 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -23.910 18.114 11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -22.152 18.273 11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -22.208 21.216 12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -21.071 20.620 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -22.143 21.991 10.737 1.00 0.00 H new ATOM 22 N ASP A 2 -25.233 17.763 8.846 1.00 0.00 N ATOM 23 CA ASP A 2 -26.230 16.789 9.389 1.00 0.00 C ATOM 24 C ASP A 2 -27.674 17.295 9.185 1.00 0.00 C ATOM 25 O ASP A 2 -28.426 17.420 10.135 1.00 0.00 O ATOM 26 CB ASP A 2 -25.893 16.661 10.876 1.00 0.00 C ATOM 27 CG ASP A 2 -26.494 15.366 11.430 1.00 0.00 C ATOM 28 OD1 ASP A 2 -25.890 14.323 11.234 1.00 0.00 O ATOM 29 OD2 ASP A 2 -27.547 15.438 12.043 1.00 0.00 O ATOM 0 H ASP A 2 -24.507 17.346 8.263 1.00 0.00 H new ATOM 0 HA ASP A 2 -26.178 15.828 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -24.812 16.661 11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -26.285 17.519 11.423 1.00 0.00 H new ATOM 34 N PRO A 3 -28.022 17.550 7.941 1.00 0.00 N ATOM 35 CA PRO A 3 -29.385 18.014 7.614 1.00 0.00 C ATOM 36 C PRO A 3 -30.290 16.777 7.473 1.00 0.00 C ATOM 37 O PRO A 3 -30.868 16.317 8.441 1.00 0.00 O ATOM 38 CB PRO A 3 -29.201 18.757 6.293 1.00 0.00 C ATOM 39 CG PRO A 3 -27.966 18.167 5.670 1.00 0.00 C ATOM 40 CD PRO A 3 -27.191 17.427 6.741 1.00 0.00 C ATOM 0 HA PRO A 3 -29.849 18.657 8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -30.068 18.627 5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -29.084 19.828 6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -28.237 17.488 4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -27.350 18.953 5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -27.036 16.383 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -26.205 17.866 6.893 1.00 0.00 H new ATOM 48 N VAL A 4 -30.362 16.194 6.296 1.00 0.00 N ATOM 49 CA VAL A 4 -31.162 14.943 6.119 1.00 0.00 C ATOM 50 C VAL A 4 -30.377 13.826 6.814 1.00 0.00 C ATOM 51 O VAL A 4 -30.857 13.150 7.704 1.00 0.00 O ATOM 52 CB VAL A 4 -31.211 14.715 4.601 1.00 0.00 C ATOM 53 CG1 VAL A 4 -31.628 13.295 4.202 1.00 0.00 C ATOM 54 CG2 VAL A 4 -32.199 15.698 3.965 1.00 0.00 C ATOM 0 H VAL A 4 -29.900 16.533 5.452 1.00 0.00 H new ATOM 0 HA VAL A 4 -32.170 14.984 6.532 1.00 0.00 H new ATOM 0 HB VAL A 4 -30.194 14.872 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -31.640 13.211 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -30.918 12.578 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -32.624 13.085 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -32.232 15.535 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -33.192 15.540 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -31.877 16.720 4.167 1.00 0.00 H new ATOM 64 N ASP A 5 -29.140 13.698 6.421 1.00 0.00 N ATOM 65 CA ASP A 5 -28.203 12.715 7.024 1.00 0.00 C ATOM 66 C ASP A 5 -26.795 13.272 6.775 1.00 0.00 C ATOM 67 O ASP A 5 -26.214 13.842 7.677 1.00 0.00 O ATOM 68 CB ASP A 5 -28.460 11.374 6.321 1.00 0.00 C ATOM 69 CG ASP A 5 -29.387 10.507 7.179 1.00 0.00 C ATOM 70 OD1 ASP A 5 -29.039 10.247 8.318 1.00 0.00 O ATOM 71 OD2 ASP A 5 -30.429 10.117 6.680 1.00 0.00 O ATOM 0 H ASP A 5 -28.727 14.259 5.676 1.00 0.00 H new ATOM 0 HA ASP A 5 -28.328 12.557 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -28.910 11.546 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -27.516 10.855 6.151 1.00 0.00 H new ATOM 76 N PRO A 6 -26.318 13.188 5.544 1.00 0.00 N ATOM 77 CA PRO A 6 -25.022 13.786 5.198 1.00 0.00 C ATOM 78 C PRO A 6 -25.310 15.184 4.630 1.00 0.00 C ATOM 79 O PRO A 6 -26.428 15.657 4.704 1.00 0.00 O ATOM 80 CB PRO A 6 -24.478 12.848 4.129 1.00 0.00 C ATOM 81 CG PRO A 6 -25.691 12.195 3.523 1.00 0.00 C ATOM 82 CD PRO A 6 -26.903 12.544 4.363 1.00 0.00 C ATOM 0 HA PRO A 6 -24.319 13.898 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.909 13.395 3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.806 12.106 4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -25.831 12.537 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -25.558 11.114 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -27.581 13.214 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -27.476 11.657 4.631 1.00 0.00 H new ATOM 90 N ASN A 7 -24.350 15.853 4.055 1.00 0.00 N ATOM 91 CA ASN A 7 -24.649 17.212 3.501 1.00 0.00 C ATOM 92 C ASN A 7 -25.488 17.089 2.222 1.00 0.00 C ATOM 93 O ASN A 7 -26.575 17.628 2.130 1.00 0.00 O ATOM 94 CB ASN A 7 -23.286 17.848 3.212 1.00 0.00 C ATOM 95 CG ASN A 7 -22.671 18.349 4.522 1.00 0.00 C ATOM 96 OD1 ASN A 7 -22.876 19.483 4.907 1.00 0.00 O ATOM 97 ND2 ASN A 7 -21.924 17.547 5.230 1.00 0.00 N ATOM 0 H ASN A 7 -23.389 15.530 3.944 1.00 0.00 H new ATOM 0 HA ASN A 7 -25.227 17.821 4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -22.625 17.120 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -23.399 18.675 2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -21.513 17.872 6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -21.751 16.595 4.908 1.00 0.00 H new ATOM 104 N ILE A 8 -25.000 16.364 1.248 1.00 0.00 N ATOM 105 CA ILE A 8 -25.773 16.174 -0.027 1.00 0.00 C ATOM 106 C ILE A 8 -25.759 14.690 -0.433 1.00 0.00 C ATOM 107 O ILE A 8 -26.006 14.352 -1.577 1.00 0.00 O ATOM 108 CB ILE A 8 -25.073 17.037 -1.105 1.00 0.00 C ATOM 109 CG1 ILE A 8 -23.760 16.372 -1.568 1.00 0.00 C ATOM 110 CG2 ILE A 8 -24.789 18.451 -0.571 1.00 0.00 C ATOM 111 CD1 ILE A 8 -22.704 16.406 -0.462 1.00 0.00 C ATOM 0 H ILE A 8 -24.096 15.892 1.277 1.00 0.00 H new ATOM 0 HA ILE A 8 -26.814 16.474 0.092 1.00 0.00 H new ATOM 0 HB ILE A 8 -25.744 17.116 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -23.954 15.339 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -23.381 16.885 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -24.297 19.040 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -25.728 18.930 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -24.141 18.386 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.790 15.930 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -22.493 17.441 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -23.075 15.871 0.412 1.00 0.00 H new ATOM 123 N GLU A 9 -25.453 13.808 0.496 1.00 0.00 N ATOM 124 CA GLU A 9 -25.391 12.341 0.184 1.00 0.00 C ATOM 125 C GLU A 9 -24.443 12.087 -0.997 1.00 0.00 C ATOM 126 O GLU A 9 -24.852 11.574 -2.017 1.00 0.00 O ATOM 127 CB GLU A 9 -26.826 11.923 -0.164 1.00 0.00 C ATOM 128 CG GLU A 9 -27.668 11.842 1.112 1.00 0.00 C ATOM 129 CD GLU A 9 -29.148 11.704 0.748 1.00 0.00 C ATOM 130 OE1 GLU A 9 -29.538 10.627 0.327 1.00 0.00 O ATOM 131 OE2 GLU A 9 -29.868 12.677 0.900 1.00 0.00 O ATOM 0 H GLU A 9 -25.242 14.046 1.465 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.007 11.765 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.266 12.641 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.821 10.957 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.351 10.991 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.515 12.735 1.717 1.00 0.00 H new ATOM 138 N PRO A 10 -23.197 12.468 -0.817 1.00 0.00 N ATOM 139 CA PRO A 10 -22.175 12.287 -1.878 1.00 0.00 C ATOM 140 C PRO A 10 -21.547 10.891 -1.812 1.00 0.00 C ATOM 141 O PRO A 10 -20.346 10.738 -1.945 1.00 0.00 O ATOM 142 CB PRO A 10 -21.128 13.328 -1.540 1.00 0.00 C ATOM 143 CG PRO A 10 -21.257 13.543 -0.061 1.00 0.00 C ATOM 144 CD PRO A 10 -22.634 13.106 0.375 1.00 0.00 C ATOM 0 HA PRO A 10 -22.596 12.391 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.128 12.982 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.300 14.253 -2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.494 12.974 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -21.099 14.594 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -22.586 12.412 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -23.239 13.954 0.697 1.00 0.00 H new ATOM 152 N TRP A 11 -22.335 9.872 -1.626 1.00 0.00 N ATOM 153 CA TRP A 11 -21.765 8.497 -1.568 1.00 0.00 C ATOM 154 C TRP A 11 -21.985 7.805 -2.914 1.00 0.00 C ATOM 155 O TRP A 11 -22.067 6.601 -2.995 1.00 0.00 O ATOM 156 CB TRP A 11 -22.561 7.786 -0.469 1.00 0.00 C ATOM 157 CG TRP A 11 -22.134 8.264 0.879 1.00 0.00 C ATOM 158 CD1 TRP A 11 -22.639 9.343 1.521 1.00 0.00 C ATOM 159 CD2 TRP A 11 -21.132 7.692 1.762 1.00 0.00 C ATOM 160 NE1 TRP A 11 -22.008 9.467 2.743 1.00 0.00 N ATOM 161 CE2 TRP A 11 -21.068 8.471 2.937 1.00 0.00 C ATOM 162 CE3 TRP A 11 -20.278 6.580 1.654 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -20.186 8.155 3.970 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -19.394 6.263 2.691 1.00 0.00 C ATOM 165 CH2 TRP A 11 -19.347 7.047 3.843 1.00 0.00 C ATOM 0 H TRP A 11 -23.347 9.930 -1.512 1.00 0.00 H new ATOM 0 HA TRP A 11 -20.695 8.490 -1.362 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -23.626 7.971 -0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -22.412 6.709 -0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -23.408 9.999 1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -22.210 10.203 3.420 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -20.305 5.967 0.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -20.152 8.763 4.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -18.744 5.406 2.599 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -18.660 6.797 4.638 1.00 0.00 H new ATOM 176 N ASN A 12 -22.087 8.572 -3.971 1.00 0.00 N ATOM 177 CA ASN A 12 -22.321 7.981 -5.317 1.00 0.00 C ATOM 178 C ASN A 12 -21.518 8.738 -6.375 1.00 0.00 C ATOM 179 O ASN A 12 -20.899 9.748 -6.093 1.00 0.00 O ATOM 180 CB ASN A 12 -23.835 8.115 -5.558 1.00 0.00 C ATOM 181 CG ASN A 12 -24.319 9.526 -5.191 1.00 0.00 C ATOM 182 OD1 ASN A 12 -24.620 10.320 -6.060 1.00 0.00 O ATOM 183 ND2 ASN A 12 -24.406 9.875 -3.930 1.00 0.00 N ATOM 0 H ASN A 12 -22.017 9.589 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.001 6.941 -5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -24.062 7.908 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -24.370 7.375 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -24.726 10.811 -3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -24.154 9.210 -3.198 1.00 0.00 H new ATOM 190 N HIS A 13 -21.504 8.244 -7.586 1.00 0.00 N ATOM 191 CA HIS A 13 -20.717 8.914 -8.663 1.00 0.00 C ATOM 192 C HIS A 13 -21.517 8.990 -9.972 1.00 0.00 C ATOM 193 O HIS A 13 -22.470 8.257 -10.164 1.00 0.00 O ATOM 194 CB HIS A 13 -19.496 8.005 -8.847 1.00 0.00 C ATOM 195 CG HIS A 13 -18.370 8.443 -7.942 1.00 0.00 C ATOM 196 ND1 HIS A 13 -18.191 9.563 -7.165 1.00 0.00 N flip ATOM 197 CD2 HIS A 13 -17.227 7.678 -7.765 1.00 0.00 C flip ATOM 198 CE1 HIS A 13 -16.960 9.496 -6.521 1.00 0.00 C flip ATOM 199 NE2 HIS A 13 -16.419 8.341 -6.917 1.00 0.00 N flip ATOM 0 H HIS A 13 -22.005 7.404 -7.876 1.00 0.00 H new ATOM 0 HA HIS A 13 -20.457 9.940 -8.404 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.767 6.973 -8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -19.167 8.033 -9.886 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -17.022 6.722 -8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.533 10.222 -5.845 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -15.506 8.003 -6.614 1.00 0.00 H new ATOM 207 N PRO A 14 -21.072 9.863 -10.849 1.00 0.00 N ATOM 208 CA PRO A 14 -21.715 10.026 -12.172 1.00 0.00 C ATOM 209 C PRO A 14 -21.258 8.892 -13.094 1.00 0.00 C ATOM 210 O PRO A 14 -21.911 8.567 -14.064 1.00 0.00 O ATOM 211 CB PRO A 14 -21.163 11.350 -12.691 1.00 0.00 C ATOM 212 CG PRO A 14 -19.855 11.504 -11.995 1.00 0.00 C ATOM 213 CD PRO A 14 -19.932 10.768 -10.684 1.00 0.00 C ATOM 0 HA PRO A 14 -22.804 10.009 -12.124 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -21.037 11.331 -13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -21.835 12.178 -12.462 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.048 11.104 -12.609 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.635 12.558 -11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.013 10.218 -10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -20.085 11.453 -9.850 1.00 0.00 H new ATOM 221 N GLY A 15 -20.109 8.317 -12.803 1.00 0.00 N ATOM 222 CA GLY A 15 -19.557 7.229 -13.650 1.00 0.00 C ATOM 223 C GLY A 15 -18.920 7.855 -14.893 1.00 0.00 C ATOM 224 O GLY A 15 -18.927 7.272 -15.956 1.00 0.00 O ATOM 0 H GLY A 15 -19.530 8.566 -12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.816 6.655 -13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.347 6.536 -13.938 1.00 0.00 H new ATOM 228 N SER A 16 -18.389 9.049 -14.768 1.00 0.00 N ATOM 229 CA SER A 16 -17.766 9.730 -15.949 1.00 0.00 C ATOM 230 C SER A 16 -16.762 10.822 -15.532 1.00 0.00 C ATOM 231 O SER A 16 -16.257 11.544 -16.372 1.00 0.00 O ATOM 232 CB SER A 16 -18.946 10.369 -16.668 1.00 0.00 C ATOM 233 OG SER A 16 -18.526 10.885 -17.923 1.00 0.00 O ATOM 0 H SER A 16 -18.360 9.582 -13.899 1.00 0.00 H new ATOM 0 HA SER A 16 -17.203 9.026 -16.561 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.736 9.633 -16.814 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.365 11.169 -16.058 1.00 0.00 H new ATOM 0 HG SER A 16 -17.598 11.192 -17.856 1.00 0.00 H new ATOM 239 N GLN A 17 -16.472 10.968 -14.261 1.00 0.00 N ATOM 240 CA GLN A 17 -15.512 12.031 -13.839 1.00 0.00 C ATOM 241 C GLN A 17 -14.735 11.630 -12.570 1.00 0.00 C ATOM 242 O GLN A 17 -13.532 11.592 -12.605 1.00 0.00 O ATOM 243 CB GLN A 17 -16.322 13.327 -13.647 1.00 0.00 C ATOM 244 CG GLN A 17 -17.836 13.086 -13.622 1.00 0.00 C ATOM 245 CD GLN A 17 -18.529 14.044 -14.596 1.00 0.00 C ATOM 246 OE1 GLN A 17 -18.711 13.683 -15.840 1.00 0.00 O flip ATOM 247 NE2 GLN A 17 -18.914 15.134 -14.221 1.00 0.00 N flip ATOM 0 H GLN A 17 -16.856 10.401 -13.505 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.749 12.181 -14.603 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -16.020 13.804 -12.715 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -16.083 14.022 -14.452 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -18.054 12.054 -13.896 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -18.221 13.236 -12.613 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -18.774 15.419 -13.252 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -19.377 15.764 -14.876 1.00 0.00 H new ATOM 256 N PRO A 18 -15.412 11.322 -11.486 1.00 0.00 N ATOM 257 CA PRO A 18 -14.677 10.910 -10.262 1.00 0.00 C ATOM 258 C PRO A 18 -14.004 9.547 -10.498 1.00 0.00 C ATOM 259 O PRO A 18 -13.033 9.202 -9.852 1.00 0.00 O ATOM 260 CB PRO A 18 -15.757 10.827 -9.194 1.00 0.00 C ATOM 261 CG PRO A 18 -17.012 10.591 -9.964 1.00 0.00 C ATOM 262 CD PRO A 18 -16.865 11.317 -11.279 1.00 0.00 C ATOM 0 HA PRO A 18 -13.881 11.598 -9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.562 10.017 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.813 11.747 -8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.170 9.525 -10.127 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.877 10.961 -9.414 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.387 10.802 -12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.270 12.328 -11.231 1.00 0.00 H new ATOM 270 N LYS A 19 -14.510 8.785 -11.445 1.00 0.00 N ATOM 271 CA LYS A 19 -13.907 7.455 -11.769 1.00 0.00 C ATOM 272 C LYS A 19 -13.213 7.521 -13.140 1.00 0.00 C ATOM 273 O LYS A 19 -12.805 6.512 -13.683 1.00 0.00 O ATOM 274 CB LYS A 19 -15.078 6.462 -11.820 1.00 0.00 C ATOM 275 CG LYS A 19 -16.175 6.857 -10.826 1.00 0.00 C ATOM 276 CD LYS A 19 -17.360 5.896 -10.962 1.00 0.00 C ATOM 277 CE LYS A 19 -17.064 4.601 -10.198 1.00 0.00 C ATOM 278 NZ LYS A 19 -18.274 3.755 -10.424 1.00 0.00 N ATOM 0 H LYS A 19 -15.322 9.034 -12.010 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.162 7.157 -11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.490 6.431 -12.829 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.719 5.459 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.785 6.829 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.500 7.880 -11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.265 6.361 -10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.543 5.676 -12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.163 4.115 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.905 4.793 -9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.158 2.845 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.113 4.243 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.395 3.587 -11.443 1.00 0.00 H new ATOM 292 N THR A 20 -13.079 8.705 -13.700 1.00 0.00 N ATOM 293 CA THR A 20 -12.414 8.853 -15.032 1.00 0.00 C ATOM 294 C THR A 20 -11.577 10.140 -15.033 1.00 0.00 C ATOM 295 O THR A 20 -10.399 10.130 -15.332 1.00 0.00 O ATOM 296 CB THR A 20 -13.544 8.912 -16.091 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.766 10.255 -16.503 1.00 0.00 O ATOM 298 CG2 THR A 20 -14.850 8.344 -15.525 1.00 0.00 C ATOM 0 H THR A 20 -13.405 9.578 -13.286 1.00 0.00 H new ATOM 0 HA THR A 20 -11.743 8.023 -15.252 1.00 0.00 H new ATOM 0 HB THR A 20 -13.231 8.312 -16.946 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.481 10.278 -17.173 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.629 8.396 -16.286 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.698 7.305 -15.231 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.153 8.926 -14.655 1.00 0.00 H new ATOM 306 N ALA A 21 -12.186 11.238 -14.663 1.00 0.00 N ATOM 307 CA ALA A 21 -11.455 12.537 -14.591 1.00 0.00 C ATOM 308 C ALA A 21 -10.651 12.609 -13.281 1.00 0.00 C ATOM 309 O ALA A 21 -9.709 13.368 -13.160 1.00 0.00 O ATOM 310 CB ALA A 21 -12.547 13.611 -14.607 1.00 0.00 C ATOM 0 H ALA A 21 -13.171 11.289 -14.405 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.750 12.664 -15.413 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.087 14.598 -14.557 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.126 13.527 -15.526 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.205 13.473 -13.749 1.00 0.00 H new ATOM 316 N SER A 22 -11.030 11.818 -12.302 1.00 0.00 N ATOM 317 CA SER A 22 -10.321 11.816 -10.988 1.00 0.00 C ATOM 318 C SER A 22 -10.077 10.371 -10.516 1.00 0.00 C ATOM 319 O SER A 22 -9.947 10.108 -9.335 1.00 0.00 O ATOM 320 CB SER A 22 -11.278 12.541 -10.043 1.00 0.00 C ATOM 321 OG SER A 22 -10.697 12.642 -8.750 1.00 0.00 O ATOM 0 H SER A 22 -11.812 11.166 -12.363 1.00 0.00 H new ATOM 0 HA SER A 22 -9.343 12.296 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.501 13.535 -10.430 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.224 12.002 -9.985 1.00 0.00 H new ATOM 0 HG SER A 22 -10.235 11.806 -8.533 1.00 0.00 H new ATOM 327 N ASN A 23 -10.019 9.435 -11.433 1.00 0.00 N ATOM 328 CA ASN A 23 -9.789 7.996 -11.060 1.00 0.00 C ATOM 329 C ASN A 23 -8.307 7.710 -10.724 1.00 0.00 C ATOM 330 O ASN A 23 -7.805 6.632 -10.982 1.00 0.00 O ATOM 331 CB ASN A 23 -10.235 7.200 -12.298 1.00 0.00 C ATOM 332 CG ASN A 23 -9.110 7.121 -13.344 1.00 0.00 C ATOM 333 OD1 ASN A 23 -8.569 6.060 -13.584 1.00 0.00 O ATOM 334 ND2 ASN A 23 -8.735 8.199 -13.980 1.00 0.00 N ATOM 0 H ASN A 23 -10.122 9.605 -12.434 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.343 7.723 -10.162 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.529 6.194 -12.000 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.113 7.671 -12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.990 8.148 -14.675 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.187 9.092 -13.781 1.00 0.00 H new ATOM 341 N ARG A 24 -7.610 8.656 -10.145 1.00 0.00 N ATOM 342 CA ARG A 24 -6.174 8.439 -9.792 1.00 0.00 C ATOM 343 C ARG A 24 -6.022 7.249 -8.839 1.00 0.00 C ATOM 344 O ARG A 24 -5.155 6.416 -9.023 1.00 0.00 O ATOM 345 CB ARG A 24 -5.755 9.737 -9.096 1.00 0.00 C ATOM 346 CG ARG A 24 -5.083 10.672 -10.106 1.00 0.00 C ATOM 347 CD ARG A 24 -6.099 11.088 -11.171 1.00 0.00 C ATOM 348 NE ARG A 24 -7.062 11.965 -10.443 1.00 0.00 N ATOM 349 CZ ARG A 24 -6.840 13.249 -10.344 1.00 0.00 C ATOM 350 NH1 ARG A 24 -7.231 14.053 -11.298 1.00 0.00 N ATOM 351 NH2 ARG A 24 -6.233 13.727 -9.289 1.00 0.00 N ATOM 0 H ARG A 24 -7.977 9.576 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.563 8.214 -10.666 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.627 10.224 -8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.069 9.517 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.692 11.553 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.235 10.171 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.619 11.621 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.599 10.221 -11.603 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.898 11.560 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.708 13.678 -12.118 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.059 15.056 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.933 13.098 -8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.059 14.729 -9.211 1.00 0.00 H new ATOM 365 N ALA A 25 -6.861 7.190 -7.825 1.00 0.00 N ATOM 366 CA ALA A 25 -6.821 6.084 -6.795 1.00 0.00 C ATOM 367 C ALA A 25 -5.840 6.439 -5.660 1.00 0.00 C ATOM 368 O ALA A 25 -5.250 5.576 -5.039 1.00 0.00 O ATOM 369 CB ALA A 25 -6.389 4.800 -7.518 1.00 0.00 C ATOM 0 H ALA A 25 -7.594 7.881 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.801 5.946 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.348 3.977 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.108 4.565 -8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.403 4.946 -7.960 1.00 0.00 H new ATOM 375 N HIS A 26 -5.695 7.713 -5.376 1.00 0.00 N ATOM 376 CA HIS A 26 -4.791 8.172 -4.265 1.00 0.00 C ATOM 377 C HIS A 26 -5.125 9.627 -3.929 1.00 0.00 C ATOM 378 O HIS A 26 -5.350 9.970 -2.785 1.00 0.00 O ATOM 379 CB HIS A 26 -3.337 8.035 -4.759 1.00 0.00 C ATOM 380 CG HIS A 26 -3.205 8.440 -6.201 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.418 7.746 -7.358 1.00 0.00 N flip ATOM 382 CD2 HIS A 26 -2.792 9.706 -6.588 1.00 0.00 C flip ATOM 383 CE1 HIS A 26 -3.139 8.556 -8.453 1.00 0.00 C flip ATOM 384 NE2 HIS A 26 -2.769 9.727 -7.934 1.00 0.00 N flip ATOM 0 H HIS A 26 -6.171 8.466 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.924 7.574 -3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -2.683 8.654 -4.145 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.006 7.004 -4.638 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -3.735 6.778 -7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.536 10.524 -5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.207 8.293 -9.498 1.00 0.00 H new ATOM 392 N ALA A 27 -5.201 10.474 -4.926 1.00 0.00 N ATOM 393 CA ALA A 27 -5.574 11.897 -4.682 1.00 0.00 C ATOM 394 C ALA A 27 -7.105 12.010 -4.676 1.00 0.00 C ATOM 395 O ALA A 27 -7.668 12.948 -4.146 1.00 0.00 O ATOM 396 CB ALA A 27 -4.973 12.682 -5.851 1.00 0.00 C ATOM 0 H ALA A 27 -5.019 10.237 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.208 12.277 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.208 13.740 -5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.891 12.550 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.391 12.316 -6.789 1.00 0.00 H new ATOM 402 N LYS A 28 -7.774 11.034 -5.255 1.00 0.00 N ATOM 403 CA LYS A 28 -9.266 11.032 -5.289 1.00 0.00 C ATOM 404 C LYS A 28 -9.805 10.935 -3.856 1.00 0.00 C ATOM 405 O LYS A 28 -10.397 11.865 -3.343 1.00 0.00 O ATOM 406 CB LYS A 28 -9.616 9.778 -6.102 1.00 0.00 C ATOM 407 CG LYS A 28 -11.043 9.305 -5.797 1.00 0.00 C ATOM 408 CD LYS A 28 -11.358 8.064 -6.636 1.00 0.00 C ATOM 409 CE LYS A 28 -10.503 6.884 -6.159 1.00 0.00 C ATOM 410 NZ LYS A 28 -10.433 5.973 -7.338 1.00 0.00 N ATOM 0 H LYS A 28 -7.338 10.232 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.697 11.933 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.520 9.992 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.908 8.982 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.143 9.075 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.756 10.099 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.416 7.816 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.161 8.266 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.510 7.212 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.955 6.388 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.864 5.136 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.393 5.674 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.993 6.473 -8.137 1.00 0.00 H new ATOM 424 N LYS A 29 -9.578 9.820 -3.204 1.00 0.00 N ATOM 425 CA LYS A 29 -10.047 9.662 -1.797 1.00 0.00 C ATOM 426 C LYS A 29 -9.068 10.369 -0.852 1.00 0.00 C ATOM 427 O LYS A 29 -9.451 10.873 0.180 1.00 0.00 O ATOM 428 CB LYS A 29 -10.090 8.145 -1.535 1.00 0.00 C ATOM 429 CG LYS A 29 -8.691 7.524 -1.658 1.00 0.00 C ATOM 430 CD LYS A 29 -8.628 6.640 -2.905 1.00 0.00 C ATOM 431 CE LYS A 29 -7.505 5.610 -2.747 1.00 0.00 C ATOM 432 NZ LYS A 29 -7.860 4.519 -3.703 1.00 0.00 N ATOM 0 H LYS A 29 -9.087 9.013 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.029 10.106 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.489 7.956 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.766 7.669 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.938 8.310 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.465 6.934 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.582 6.134 -3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.452 7.253 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.533 6.043 -2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.449 5.238 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.090 4.396 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.001 3.631 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.736 4.768 -4.205 1.00 0.00 H new ATOM 446 N SER A 30 -7.807 10.427 -1.217 1.00 0.00 N ATOM 447 CA SER A 30 -6.785 11.111 -0.366 1.00 0.00 C ATOM 448 C SER A 30 -6.484 10.297 0.907 1.00 0.00 C ATOM 449 O SER A 30 -6.081 10.839 1.919 1.00 0.00 O ATOM 450 CB SER A 30 -7.381 12.484 -0.039 1.00 0.00 C ATOM 451 OG SER A 30 -6.343 13.451 0.017 1.00 0.00 O ATOM 0 H SER A 30 -7.441 10.024 -2.079 1.00 0.00 H new ATOM 0 HA SER A 30 -5.828 11.209 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.113 12.764 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.908 12.446 0.914 1.00 0.00 H new ATOM 0 HG SER A 30 -6.725 14.329 0.225 1.00 0.00 H new ATOM 457 N ALA A 31 -6.644 8.992 0.835 1.00 0.00 N ATOM 458 CA ALA A 31 -6.343 8.086 1.996 1.00 0.00 C ATOM 459 C ALA A 31 -6.961 8.574 3.322 1.00 0.00 C ATOM 460 O ALA A 31 -6.318 9.246 4.108 1.00 0.00 O ATOM 461 CB ALA A 31 -4.813 8.063 2.088 1.00 0.00 C ATOM 0 H ALA A 31 -6.978 8.507 0.002 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.777 7.099 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.508 7.421 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.398 7.677 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.444 9.074 2.258 1.00 0.00 H new ATOM 467 N TYR A 32 -8.190 8.204 3.588 1.00 0.00 N ATOM 468 CA TYR A 32 -8.843 8.598 4.876 1.00 0.00 C ATOM 469 C TYR A 32 -9.972 7.604 5.181 1.00 0.00 C ATOM 470 O TYR A 32 -11.053 7.978 5.590 1.00 0.00 O ATOM 471 CB TYR A 32 -9.363 10.039 4.680 1.00 0.00 C ATOM 472 CG TYR A 32 -10.502 10.104 3.686 1.00 0.00 C ATOM 473 CD1 TYR A 32 -10.350 9.586 2.396 1.00 0.00 C ATOM 474 CD2 TYR A 32 -11.711 10.697 4.060 1.00 0.00 C ATOM 475 CE1 TYR A 32 -11.403 9.659 1.482 1.00 0.00 C ATOM 476 CE2 TYR A 32 -12.765 10.772 3.145 1.00 0.00 C ATOM 477 CZ TYR A 32 -12.611 10.251 1.855 1.00 0.00 C ATOM 478 OH TYR A 32 -13.652 10.322 0.952 1.00 0.00 O ATOM 0 H TYR A 32 -8.772 7.643 2.965 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.159 8.574 5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.696 10.437 5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.547 10.675 4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.416 9.128 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.831 11.097 5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.283 9.258 0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.699 11.232 3.433 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.602 9.562 0.335 1.00 0.00 H new ATOM 488 N HIS A 33 -9.707 6.328 4.959 1.00 0.00 N ATOM 489 CA HIS A 33 -10.729 5.252 5.201 1.00 0.00 C ATOM 490 C HIS A 33 -11.950 5.431 4.279 1.00 0.00 C ATOM 491 O HIS A 33 -12.962 4.778 4.457 1.00 0.00 O ATOM 492 CB HIS A 33 -11.135 5.383 6.675 1.00 0.00 C ATOM 493 CG HIS A 33 -9.976 5.011 7.561 1.00 0.00 C ATOM 494 ND1 HIS A 33 -9.762 3.711 7.992 1.00 0.00 N ATOM 495 CD2 HIS A 33 -8.963 5.758 8.109 1.00 0.00 C ATOM 496 CE1 HIS A 33 -8.661 3.716 8.764 1.00 0.00 C ATOM 497 NE2 HIS A 33 -8.134 4.939 8.869 1.00 0.00 N ATOM 0 H HIS A 33 -8.810 5.986 4.615 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.322 4.264 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -11.451 6.405 6.885 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -11.987 4.736 6.885 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.830 6.821 7.971 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.252 2.838 9.241 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.303 5.213 9.393 1.00 0.00 H new ATOM 505 N SER A 34 -11.864 6.307 3.300 1.00 0.00 N ATOM 506 CA SER A 34 -13.009 6.545 2.364 1.00 0.00 C ATOM 507 C SER A 34 -14.290 6.910 3.139 1.00 0.00 C ATOM 508 O SER A 34 -15.267 6.183 3.132 1.00 0.00 O ATOM 509 CB SER A 34 -13.182 5.241 1.581 1.00 0.00 C ATOM 510 OG SER A 34 -12.272 5.219 0.490 1.00 0.00 O ATOM 0 H SER A 34 -11.037 6.873 3.110 1.00 0.00 H new ATOM 0 HA SER A 34 -12.814 7.384 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.005 4.386 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.206 5.156 1.216 1.00 0.00 H new ATOM 0 HG SER A 34 -12.381 4.384 -0.010 1.00 0.00 H new ATOM 516 N GLN A 35 -14.281 8.039 3.806 1.00 0.00 N ATOM 517 CA GLN A 35 -15.481 8.484 4.591 1.00 0.00 C ATOM 518 C GLN A 35 -16.437 9.315 3.732 1.00 0.00 C ATOM 519 O GLN A 35 -17.597 9.447 4.067 1.00 0.00 O ATOM 520 CB GLN A 35 -14.926 9.353 5.725 1.00 0.00 C ATOM 521 CG GLN A 35 -13.956 8.551 6.594 1.00 0.00 C ATOM 522 CD GLN A 35 -14.607 7.236 7.018 1.00 0.00 C ATOM 523 OE1 GLN A 35 -15.514 7.219 7.826 1.00 0.00 O ATOM 524 NE2 GLN A 35 -14.173 6.128 6.496 1.00 0.00 N ATOM 0 H GLN A 35 -13.487 8.679 3.842 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.047 7.626 4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.416 10.222 5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.746 9.728 6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.038 8.351 6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.678 9.130 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.411 6.148 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.594 5.239 6.764 1.00 0.00 H new ATOM 533 N VAL A 36 -15.965 9.889 2.646 1.00 0.00 N ATOM 534 CA VAL A 36 -16.848 10.735 1.774 1.00 0.00 C ATOM 535 C VAL A 36 -17.350 11.956 2.561 1.00 0.00 C ATOM 536 O VAL A 36 -17.134 12.066 3.754 1.00 0.00 O ATOM 537 CB VAL A 36 -18.014 9.823 1.352 1.00 0.00 C ATOM 538 CG1 VAL A 36 -19.194 10.486 0.638 1.00 0.00 C ATOM 539 CG2 VAL A 36 -17.518 8.682 0.460 1.00 0.00 C ATOM 0 H VAL A 36 -15.000 9.807 2.325 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.319 11.120 0.902 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.398 9.476 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.944 9.732 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.635 11.241 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.845 10.957 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.360 8.051 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.054 9.096 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.786 8.086 1.005 1.00 0.00 H new ATOM 549 N ALA A 37 -18.019 12.873 1.911 1.00 0.00 N ATOM 550 CA ALA A 37 -18.536 14.071 2.638 1.00 0.00 C ATOM 551 C ALA A 37 -19.868 13.712 3.310 1.00 0.00 C ATOM 552 O ALA A 37 -20.930 14.070 2.836 1.00 0.00 O ATOM 553 CB ALA A 37 -18.730 15.147 1.564 1.00 0.00 C ATOM 0 H ALA A 37 -18.229 12.845 0.913 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.860 14.419 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.109 16.058 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.775 15.355 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.444 14.794 0.820 1.00 0.00 H new ATOM 559 N PHE A 38 -19.818 12.985 4.401 1.00 0.00 N ATOM 560 CA PHE A 38 -21.088 12.578 5.082 1.00 0.00 C ATOM 561 C PHE A 38 -21.567 13.650 6.083 1.00 0.00 C ATOM 562 O PHE A 38 -21.456 14.832 5.821 1.00 0.00 O ATOM 563 CB PHE A 38 -20.801 11.209 5.743 1.00 0.00 C ATOM 564 CG PHE A 38 -19.688 11.247 6.771 1.00 0.00 C ATOM 565 CD1 PHE A 38 -18.354 11.143 6.365 1.00 0.00 C ATOM 566 CD2 PHE A 38 -19.993 11.341 8.132 1.00 0.00 C ATOM 567 CE1 PHE A 38 -17.332 11.134 7.311 1.00 0.00 C ATOM 568 CE2 PHE A 38 -18.968 11.338 9.080 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.637 11.232 8.668 1.00 0.00 C ATOM 0 H PHE A 38 -18.960 12.658 4.846 1.00 0.00 H new ATOM 0 HA PHE A 38 -21.912 12.485 4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -21.712 10.849 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -20.542 10.489 4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.115 11.069 5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -21.022 11.416 8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.303 11.051 6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -19.204 11.418 10.131 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.844 11.226 9.401 1.00 0.00 H new ATOM 579 N ILE A 39 -22.150 13.253 7.192 1.00 0.00 N ATOM 580 CA ILE A 39 -22.698 14.258 8.173 1.00 0.00 C ATOM 581 C ILE A 39 -21.615 15.214 8.708 1.00 0.00 C ATOM 582 O ILE A 39 -21.909 16.347 9.044 1.00 0.00 O ATOM 583 CB ILE A 39 -23.310 13.431 9.320 1.00 0.00 C ATOM 584 CG1 ILE A 39 -22.208 12.780 10.159 1.00 0.00 C ATOM 585 CG2 ILE A 39 -24.214 12.335 8.749 1.00 0.00 C ATOM 586 CD1 ILE A 39 -22.404 13.150 11.633 1.00 0.00 C ATOM 0 H ILE A 39 -22.272 12.277 7.463 1.00 0.00 H new ATOM 0 HA ILE A 39 -23.434 14.899 7.688 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.894 14.101 9.951 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.235 11.697 10.038 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.229 13.114 9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.643 11.755 9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -25.016 12.791 8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.628 11.678 8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -21.620 12.687 12.232 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -22.355 14.233 11.746 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -23.377 12.794 11.971 1.00 0.00 H new ATOM 598 N THR A 40 -20.379 14.787 8.786 1.00 0.00 N ATOM 599 CA THR A 40 -19.305 15.695 9.296 1.00 0.00 C ATOM 600 C THR A 40 -18.330 16.017 8.157 1.00 0.00 C ATOM 601 O THR A 40 -17.898 15.140 7.432 1.00 0.00 O ATOM 602 CB THR A 40 -18.615 14.916 10.423 1.00 0.00 C ATOM 603 OG1 THR A 40 -19.592 14.443 11.341 1.00 0.00 O ATOM 604 CG2 THR A 40 -17.626 15.823 11.163 1.00 0.00 C ATOM 0 H THR A 40 -20.068 13.853 8.520 1.00 0.00 H new ATOM 0 HA THR A 40 -19.691 16.646 9.663 1.00 0.00 H new ATOM 0 HB THR A 40 -18.075 14.074 9.990 1.00 0.00 H new ATOM 0 HG1 THR A 40 -19.247 13.654 11.809 1.00 0.00 H new ATOM 0 HG21 THR A 40 -17.142 15.259 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 40 -16.871 16.184 10.465 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.160 16.671 11.591 1.00 0.00 H new ATOM 612 N LYS A 41 -18.003 17.274 7.979 1.00 0.00 N ATOM 613 CA LYS A 41 -17.078 17.670 6.867 1.00 0.00 C ATOM 614 C LYS A 41 -15.606 17.326 7.165 1.00 0.00 C ATOM 615 O LYS A 41 -14.730 17.664 6.390 1.00 0.00 O ATOM 616 CB LYS A 41 -17.261 19.183 6.714 1.00 0.00 C ATOM 617 CG LYS A 41 -18.655 19.470 6.142 1.00 0.00 C ATOM 618 CD LYS A 41 -18.602 19.539 4.608 1.00 0.00 C ATOM 619 CE LYS A 41 -17.947 18.274 4.029 1.00 0.00 C ATOM 620 NZ LYS A 41 -18.933 17.175 4.272 1.00 0.00 N ATOM 0 H LYS A 41 -18.337 18.046 8.556 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.317 17.123 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.143 19.675 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.494 19.589 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.350 18.690 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.032 20.411 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.610 19.647 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.040 20.420 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.740 18.389 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.995 18.064 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.539 16.274 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.131 17.105 5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.815 17.381 3.761 1.00 0.00 H new ATOM 634 N GLY A 42 -15.319 16.657 8.256 1.00 0.00 N ATOM 635 CA GLY A 42 -13.900 16.302 8.557 1.00 0.00 C ATOM 636 C GLY A 42 -13.485 15.026 7.809 1.00 0.00 C ATOM 637 O GLY A 42 -12.379 14.556 7.967 1.00 0.00 O ATOM 0 H GLY A 42 -16.002 16.344 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.246 17.126 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.777 16.156 9.630 1.00 0.00 H new ATOM 641 N LEU A 43 -14.352 14.474 6.982 1.00 0.00 N ATOM 642 CA LEU A 43 -14.004 13.245 6.199 1.00 0.00 C ATOM 643 C LEU A 43 -13.728 12.048 7.111 1.00 0.00 C ATOM 644 O LEU A 43 -12.806 11.287 6.888 1.00 0.00 O ATOM 645 CB LEU A 43 -12.756 13.633 5.412 1.00 0.00 C ATOM 646 CG LEU A 43 -13.139 13.894 3.963 1.00 0.00 C ATOM 647 CD1 LEU A 43 -14.419 14.704 3.751 1.00 0.00 C ATOM 648 CD2 LEU A 43 -11.969 14.656 3.342 1.00 0.00 C ATOM 0 H LEU A 43 -15.294 14.830 6.818 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.825 12.932 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.300 14.523 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.015 12.836 5.467 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.343 12.927 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.597 14.831 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.261 14.177 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.312 15.682 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.189 14.872 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.817 15.591 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.065 14.050 3.405 1.00 0.00 H new ATOM 660 N GLY A 44 -14.534 11.876 8.124 1.00 0.00 N ATOM 661 CA GLY A 44 -14.360 10.735 9.072 1.00 0.00 C ATOM 662 C GLY A 44 -12.886 10.566 9.445 1.00 0.00 C ATOM 663 O GLY A 44 -12.424 9.470 9.681 1.00 0.00 O ATOM 0 H GLY A 44 -15.320 12.489 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.951 10.909 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.733 9.817 8.618 1.00 0.00 H new ATOM 667 N ILE A 45 -12.135 11.636 9.475 1.00 0.00 N ATOM 668 CA ILE A 45 -10.685 11.500 9.818 1.00 0.00 C ATOM 669 C ILE A 45 -10.483 11.185 11.313 1.00 0.00 C ATOM 670 O ILE A 45 -9.493 10.575 11.671 1.00 0.00 O ATOM 671 CB ILE A 45 -10.006 12.829 9.440 1.00 0.00 C ATOM 672 CG1 ILE A 45 -10.708 14.008 10.121 1.00 0.00 C ATOM 673 CG2 ILE A 45 -10.048 13.009 7.919 1.00 0.00 C ATOM 674 CD1 ILE A 45 -9.966 14.380 11.407 1.00 0.00 C ATOM 0 H ILE A 45 -12.455 12.585 9.280 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.245 10.668 9.268 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.970 12.802 9.778 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.738 14.864 9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.741 13.746 10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.567 13.950 7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.522 12.183 7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.085 13.022 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.469 15.219 11.888 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.959 13.525 12.083 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.941 14.661 11.167 1.00 0.00 H new ATOM 686 N SER A 46 -11.387 11.582 12.198 1.00 0.00 N ATOM 687 CA SER A 46 -11.151 11.262 13.651 1.00 0.00 C ATOM 688 C SER A 46 -12.340 11.562 14.599 1.00 0.00 C ATOM 689 O SER A 46 -12.242 11.264 15.776 1.00 0.00 O ATOM 690 CB SER A 46 -9.958 12.139 14.045 1.00 0.00 C ATOM 691 OG SER A 46 -9.228 11.507 15.086 1.00 0.00 O ATOM 0 H SER A 46 -12.244 12.093 11.986 1.00 0.00 H new ATOM 0 HA SER A 46 -10.992 10.189 13.756 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.313 12.303 13.182 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.306 13.118 14.373 1.00 0.00 H new ATOM 0 HG SER A 46 -9.852 11.129 15.740 1.00 0.00 H new ATOM 697 N TYR A 47 -13.441 12.151 14.166 1.00 0.00 N ATOM 698 CA TYR A 47 -14.538 12.428 15.165 1.00 0.00 C ATOM 699 C TYR A 47 -15.419 11.182 15.431 1.00 0.00 C ATOM 700 O TYR A 47 -14.908 10.105 15.673 1.00 0.00 O ATOM 701 CB TYR A 47 -15.352 13.626 14.638 1.00 0.00 C ATOM 702 CG TYR A 47 -15.549 13.571 13.150 1.00 0.00 C ATOM 703 CD1 TYR A 47 -16.548 12.764 12.598 1.00 0.00 C ATOM 704 CD2 TYR A 47 -14.740 14.354 12.322 1.00 0.00 C ATOM 705 CE1 TYR A 47 -16.736 12.744 11.220 1.00 0.00 C ATOM 706 CE2 TYR A 47 -14.925 14.327 10.943 1.00 0.00 C ATOM 707 CZ TYR A 47 -15.923 13.526 10.391 1.00 0.00 C ATOM 708 OH TYR A 47 -16.124 13.524 9.030 1.00 0.00 O ATOM 0 H TYR A 47 -13.624 12.441 13.206 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.106 12.674 16.135 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -16.324 13.647 15.130 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.842 14.553 14.901 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -17.171 12.158 13.239 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.972 14.980 12.752 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -17.509 12.125 10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.296 14.926 10.301 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.863 12.920 8.809 1.00 0.00 H new ATOM 718 N GLY A 48 -16.731 11.330 15.434 1.00 0.00 N ATOM 719 CA GLY A 48 -17.640 10.180 15.735 1.00 0.00 C ATOM 720 C GLY A 48 -17.438 9.011 14.767 1.00 0.00 C ATOM 721 O GLY A 48 -17.222 7.891 15.190 1.00 0.00 O ATOM 0 H GLY A 48 -17.209 12.210 15.238 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.465 9.839 16.755 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -18.676 10.516 15.685 1.00 0.00 H new ATOM 725 N ARG A 49 -17.526 9.257 13.479 1.00 0.00 N ATOM 726 CA ARG A 49 -17.357 8.149 12.474 1.00 0.00 C ATOM 727 C ARG A 49 -18.356 7.015 12.763 1.00 0.00 C ATOM 728 O ARG A 49 -17.986 5.869 12.947 1.00 0.00 O ATOM 729 CB ARG A 49 -15.924 7.651 12.654 1.00 0.00 C ATOM 730 CG ARG A 49 -14.929 8.749 12.282 1.00 0.00 C ATOM 731 CD ARG A 49 -13.631 8.095 11.814 1.00 0.00 C ATOM 732 NE ARG A 49 -14.004 7.457 10.516 1.00 0.00 N ATOM 733 CZ ARG A 49 -13.280 6.479 10.033 1.00 0.00 C ATOM 734 NH1 ARG A 49 -11.986 6.619 9.910 1.00 0.00 N ATOM 735 NH2 ARG A 49 -13.854 5.361 9.668 1.00 0.00 N ATOM 0 H ARG A 49 -17.708 10.177 13.078 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.542 8.491 11.456 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.766 7.343 13.688 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.756 6.773 12.031 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.340 9.380 11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.739 9.394 13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.836 8.830 11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.271 7.359 12.533 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.824 7.784 10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.538 7.492 10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.424 5.856 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.864 5.253 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.291 4.598 9.291 1.00 0.00 H new ATOM 749 N LYS A 50 -19.617 7.343 12.819 1.00 0.00 N ATOM 750 CA LYS A 50 -20.675 6.316 13.112 1.00 0.00 C ATOM 751 C LYS A 50 -20.854 5.327 11.946 1.00 0.00 C ATOM 752 O LYS A 50 -21.237 4.192 12.160 1.00 0.00 O ATOM 753 CB LYS A 50 -21.967 7.110 13.356 1.00 0.00 C ATOM 754 CG LYS A 50 -22.232 8.082 12.200 1.00 0.00 C ATOM 755 CD LYS A 50 -22.549 9.474 12.760 1.00 0.00 C ATOM 756 CE LYS A 50 -21.252 10.233 13.077 1.00 0.00 C ATOM 757 NZ LYS A 50 -20.620 10.509 11.748 1.00 0.00 N ATOM 0 H LYS A 50 -19.971 8.289 12.673 1.00 0.00 H new ATOM 0 HA LYS A 50 -20.399 5.710 13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -22.807 6.424 13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.889 7.663 14.292 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -21.361 8.132 11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.065 7.724 11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -23.140 10.037 12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -23.153 9.381 13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.459 11.159 13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.593 9.638 13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.745 9.954 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.279 10.243 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.397 11.522 11.674 1.00 0.00 H new ATOM 771 N LYS A 51 -20.577 5.746 10.725 1.00 0.00 N ATOM 772 CA LYS A 51 -20.713 4.844 9.517 1.00 0.00 C ATOM 773 C LYS A 51 -22.181 4.628 9.112 1.00 0.00 C ATOM 774 O LYS A 51 -22.498 4.611 7.938 1.00 0.00 O ATOM 775 CB LYS A 51 -20.062 3.504 9.891 1.00 0.00 C ATOM 776 CG LYS A 51 -18.644 3.746 10.421 1.00 0.00 C ATOM 777 CD LYS A 51 -17.617 3.232 9.409 1.00 0.00 C ATOM 778 CE LYS A 51 -17.336 4.324 8.374 1.00 0.00 C ATOM 779 NZ LYS A 51 -16.623 3.618 7.269 1.00 0.00 N ATOM 0 H LYS A 51 -20.257 6.690 10.509 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.226 5.305 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.661 2.997 10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.028 2.850 9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.490 4.810 10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.512 3.239 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.695 2.953 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.993 2.335 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.259 4.783 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.724 5.122 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.393 4.297 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.746 3.196 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.233 2.868 6.885 1.00 0.00 H new ATOM 793 N ARG A 52 -23.079 4.460 10.056 1.00 0.00 N ATOM 794 CA ARG A 52 -24.515 4.244 9.690 1.00 0.00 C ATOM 795 C ARG A 52 -25.222 5.589 9.461 1.00 0.00 C ATOM 796 O ARG A 52 -26.419 5.637 9.243 1.00 0.00 O ATOM 797 CB ARG A 52 -25.150 3.500 10.875 1.00 0.00 C ATOM 798 CG ARG A 52 -24.224 2.389 11.414 1.00 0.00 C ATOM 799 CD ARG A 52 -23.515 1.633 10.275 1.00 0.00 C ATOM 800 NE ARG A 52 -24.601 1.205 9.347 1.00 0.00 N ATOM 801 CZ ARG A 52 -25.377 0.199 9.660 1.00 0.00 C ATOM 802 NH1 ARG A 52 -24.892 -1.016 9.699 1.00 0.00 N ATOM 803 NH2 ARG A 52 -26.639 0.409 9.934 1.00 0.00 N ATOM 0 H ARG A 52 -22.881 4.463 11.057 1.00 0.00 H new ATOM 0 HA ARG A 52 -24.606 3.673 8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -25.371 4.209 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -26.099 3.064 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -23.479 2.827 12.078 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -24.807 1.686 12.009 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -22.794 2.274 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -22.964 0.774 10.657 1.00 0.00 H new ATOM 0 HE ARG A 52 -24.739 1.698 8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -23.908 -1.179 9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -25.498 -1.799 9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -27.017 1.356 9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -27.245 -0.374 10.178 1.00 0.00 H new ATOM 817 N ARG A 53 -24.488 6.681 9.499 1.00 0.00 N ATOM 818 CA ARG A 53 -25.102 8.027 9.273 1.00 0.00 C ATOM 819 C ARG A 53 -25.753 8.108 7.880 1.00 0.00 C ATOM 820 O ARG A 53 -26.571 8.970 7.626 1.00 0.00 O ATOM 821 CB ARG A 53 -23.938 9.022 9.386 1.00 0.00 C ATOM 822 CG ARG A 53 -22.932 8.815 8.241 1.00 0.00 C ATOM 823 CD ARG A 53 -21.752 7.973 8.733 1.00 0.00 C ATOM 824 NE ARG A 53 -20.647 8.277 7.780 1.00 0.00 N ATOM 825 CZ ARG A 53 -19.448 7.804 7.998 1.00 0.00 C ATOM 826 NH1 ARG A 53 -18.777 8.176 9.058 1.00 0.00 N ATOM 827 NH2 ARG A 53 -18.925 6.948 7.162 1.00 0.00 N ATOM 0 H ARG A 53 -23.484 6.694 9.678 1.00 0.00 H new ATOM 0 HA ARG A 53 -25.892 8.238 9.994 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -24.321 10.042 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -23.436 8.895 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -23.419 8.319 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -22.576 9.779 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -21.477 8.235 9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -21.996 6.911 8.731 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.826 8.854 6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.189 8.837 9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.842 7.805 9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.452 6.650 6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.990 6.578 7.330 1.00 0.00 H new ATOM 841 N GLN A 54 -25.399 7.215 6.983 1.00 0.00 N ATOM 842 CA GLN A 54 -26.005 7.241 5.613 1.00 0.00 C ATOM 843 C GLN A 54 -27.452 6.737 5.672 1.00 0.00 C ATOM 844 O GLN A 54 -28.295 7.174 4.913 1.00 0.00 O ATOM 845 CB GLN A 54 -25.153 6.292 4.756 1.00 0.00 C ATOM 846 CG GLN A 54 -23.670 6.670 4.855 1.00 0.00 C ATOM 847 CD GLN A 54 -22.807 5.552 4.265 1.00 0.00 C ATOM 848 OE1 GLN A 54 -22.938 5.216 3.104 1.00 0.00 O ATOM 849 NE2 GLN A 54 -21.921 4.960 5.019 1.00 0.00 N ATOM 0 H GLN A 54 -24.718 6.472 7.141 1.00 0.00 H new ATOM 0 HA GLN A 54 -26.021 8.249 5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -25.296 5.264 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -25.478 6.339 3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -23.487 7.603 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -23.398 6.840 5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.811 5.241 5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.339 4.216 4.634 1.00 0.00 H new ATOM 858 N ARG A 55 -27.734 5.810 6.567 1.00 0.00 N ATOM 859 CA ARG A 55 -29.121 5.243 6.698 1.00 0.00 C ATOM 860 C ARG A 55 -29.550 4.496 5.418 1.00 0.00 C ATOM 861 O ARG A 55 -30.688 4.086 5.290 1.00 0.00 O ATOM 862 CB ARG A 55 -30.041 6.441 6.970 1.00 0.00 C ATOM 863 CG ARG A 55 -29.849 6.914 8.414 1.00 0.00 C ATOM 864 CD ARG A 55 -31.150 7.541 8.926 1.00 0.00 C ATOM 865 NE ARG A 55 -30.705 8.564 9.920 1.00 0.00 N ATOM 866 CZ ARG A 55 -31.589 9.205 10.637 1.00 0.00 C ATOM 867 NH1 ARG A 55 -32.195 10.254 10.145 1.00 0.00 N ATOM 868 NH2 ARG A 55 -31.862 8.796 11.849 1.00 0.00 N ATOM 0 H ARG A 55 -27.054 5.419 7.219 1.00 0.00 H new ATOM 0 HA ARG A 55 -29.170 4.510 7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -29.815 7.252 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -31.081 6.160 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -29.564 6.074 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -29.038 7.641 8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -31.718 7.996 8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -31.796 6.794 9.387 1.00 0.00 H new ATOM 0 HE ARG A 55 -29.711 8.762 10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -31.978 10.572 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -32.885 10.754 10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -31.385 7.979 12.231 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -32.552 9.294 12.412 1.00 0.00 H new ATOM 882 N ARG A 56 -28.646 4.298 4.482 1.00 0.00 N ATOM 883 CA ARG A 56 -28.991 3.561 3.229 1.00 0.00 C ATOM 884 C ARG A 56 -27.912 2.513 2.947 1.00 0.00 C ATOM 885 O ARG A 56 -27.523 2.292 1.814 1.00 0.00 O ATOM 886 CB ARG A 56 -29.003 4.609 2.115 1.00 0.00 C ATOM 887 CG ARG A 56 -29.994 5.722 2.443 1.00 0.00 C ATOM 888 CD ARG A 56 -29.385 7.053 2.011 1.00 0.00 C ATOM 889 NE ARG A 56 -30.485 8.043 2.196 1.00 0.00 N ATOM 890 CZ ARG A 56 -30.376 8.990 3.094 1.00 0.00 C ATOM 891 NH1 ARG A 56 -29.244 9.630 3.242 1.00 0.00 N ATOM 892 NH2 ARG A 56 -31.405 9.300 3.840 1.00 0.00 N ATOM 0 H ARG A 56 -27.679 4.619 4.537 1.00 0.00 H new ATOM 0 HA ARG A 56 -29.951 3.050 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -28.004 5.028 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -29.273 4.140 1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -30.939 5.552 1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -30.211 5.733 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -28.516 7.307 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -29.051 7.019 0.974 1.00 0.00 H new ATOM 0 HE ARG A 56 -31.325 7.982 1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -28.443 9.392 2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -29.163 10.367 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -32.289 8.805 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -31.324 10.037 4.540 1.00 0.00 H new ATOM 906 N ARG A 57 -27.420 1.877 3.980 1.00 0.00 N ATOM 907 CA ARG A 57 -26.356 0.846 3.801 1.00 0.00 C ATOM 908 C ARG A 57 -26.800 -0.270 2.832 1.00 0.00 C ATOM 909 O ARG A 57 -26.009 -0.716 2.023 1.00 0.00 O ATOM 910 CB ARG A 57 -26.113 0.282 5.205 1.00 0.00 C ATOM 911 CG ARG A 57 -24.724 -0.361 5.272 1.00 0.00 C ATOM 912 CD ARG A 57 -23.653 0.705 5.022 1.00 0.00 C ATOM 913 NE ARG A 57 -22.421 -0.074 4.711 1.00 0.00 N ATOM 914 CZ ARG A 57 -21.249 0.395 5.048 1.00 0.00 C ATOM 915 NH1 ARG A 57 -20.787 1.476 4.472 1.00 0.00 N ATOM 916 NH2 ARG A 57 -20.540 -0.215 5.961 1.00 0.00 N ATOM 0 H ARG A 57 -27.712 2.030 4.945 1.00 0.00 H new ATOM 0 HA ARG A 57 -25.454 1.275 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -26.192 1.078 5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -26.878 -0.456 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -24.572 -0.822 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -24.643 -1.154 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -23.929 1.359 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -23.512 1.339 5.897 1.00 0.00 H new ATOM 0 HE ARG A 57 -22.493 -0.973 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.342 1.952 3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.872 1.843 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.902 -1.057 6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.625 0.150 6.225 1.00 0.00 H new ATOM 930 N PRO A 58 -28.048 -0.697 2.939 1.00 0.00 N ATOM 931 CA PRO A 58 -28.549 -1.771 2.048 1.00 0.00 C ATOM 932 C PRO A 58 -28.891 -1.228 0.648 1.00 0.00 C ATOM 933 O PRO A 58 -28.902 -1.970 -0.317 1.00 0.00 O ATOM 934 CB PRO A 58 -29.801 -2.278 2.756 1.00 0.00 C ATOM 935 CG PRO A 58 -30.271 -1.128 3.594 1.00 0.00 C ATOM 936 CD PRO A 58 -29.087 -0.232 3.874 1.00 0.00 C ATOM 0 HA PRO A 58 -27.808 -2.553 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -30.564 -2.580 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -29.579 -3.150 3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -31.053 -0.574 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -30.703 -1.489 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -29.333 0.816 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -28.758 -0.320 4.909 1.00 0.00 H new ATOM 944 N SER A 59 -29.165 0.052 0.524 1.00 0.00 N ATOM 945 CA SER A 59 -29.499 0.618 -0.820 1.00 0.00 C ATOM 946 C SER A 59 -28.214 0.845 -1.621 1.00 0.00 C ATOM 947 O SER A 59 -27.389 1.658 -1.260 1.00 0.00 O ATOM 948 CB SER A 59 -30.205 1.947 -0.535 1.00 0.00 C ATOM 949 OG SER A 59 -30.644 2.523 -1.757 1.00 0.00 O ATOM 0 H SER A 59 -29.171 0.723 1.292 1.00 0.00 H new ATOM 0 HA SER A 59 -30.129 -0.050 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 59 -31.054 1.785 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 59 -29.526 2.629 -0.023 1.00 0.00 H new ATOM 0 HG SER A 59 -31.097 3.372 -1.574 1.00 0.00 H new ATOM 955 N GLN A 60 -28.037 0.123 -2.702 1.00 0.00 N ATOM 956 CA GLN A 60 -26.803 0.285 -3.529 1.00 0.00 C ATOM 957 C GLN A 60 -27.128 0.170 -5.023 1.00 0.00 C ATOM 958 O GLN A 60 -26.290 -0.209 -5.820 1.00 0.00 O ATOM 959 CB GLN A 60 -25.874 -0.847 -3.087 1.00 0.00 C ATOM 960 CG GLN A 60 -25.520 -0.655 -1.612 1.00 0.00 C ATOM 961 CD GLN A 60 -24.851 -1.915 -1.047 1.00 0.00 C ATOM 962 OE1 GLN A 60 -23.940 -1.823 -0.249 1.00 0.00 O ATOM 963 NE2 GLN A 60 -25.268 -3.098 -1.420 1.00 0.00 N ATOM 0 H GLN A 60 -28.698 -0.574 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 60 -26.346 1.265 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -26.360 -1.812 -3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -24.969 -0.849 -3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -24.851 0.199 -1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.422 -0.429 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -26.033 -3.181 -2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.828 -3.937 -1.041 1.00 0.00 H new ATOM 972 N GLY A 61 -28.335 0.506 -5.408 1.00 0.00 N ATOM 973 CA GLY A 61 -28.718 0.431 -6.850 1.00 0.00 C ATOM 974 C GLY A 61 -28.098 1.624 -7.579 1.00 0.00 C ATOM 975 O GLY A 61 -28.702 2.674 -7.695 1.00 0.00 O ATOM 0 H GLY A 61 -29.073 0.830 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -28.367 -0.504 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -29.803 0.445 -6.955 1.00 0.00 H new ATOM 979 N GLY A 62 -26.882 1.476 -8.046 1.00 0.00 N ATOM 980 CA GLY A 62 -26.195 2.606 -8.741 1.00 0.00 C ATOM 981 C GLY A 62 -25.729 3.623 -7.697 1.00 0.00 C ATOM 982 O GLY A 62 -25.511 4.782 -7.998 1.00 0.00 O ATOM 0 H GLY A 62 -26.335 0.618 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -25.344 2.235 -9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -26.873 3.079 -9.451 1.00 0.00 H new ATOM 986 N GLN A 63 -25.590 3.194 -6.464 1.00 0.00 N ATOM 987 CA GLN A 63 -25.158 4.117 -5.383 1.00 0.00 C ATOM 988 C GLN A 63 -23.657 4.381 -5.415 1.00 0.00 C ATOM 989 O GLN A 63 -23.207 5.332 -4.824 1.00 0.00 O ATOM 990 CB GLN A 63 -25.521 3.397 -4.092 1.00 0.00 C ATOM 991 CG GLN A 63 -27.021 3.536 -3.838 1.00 0.00 C ATOM 992 CD GLN A 63 -27.425 5.017 -3.801 1.00 0.00 C ATOM 993 OE1 GLN A 63 -26.652 5.889 -3.206 1.00 0.00 O flip ATOM 994 NE2 GLN A 63 -28.457 5.386 -4.326 1.00 0.00 N flip ATOM 0 H GLN A 63 -25.761 2.234 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 63 -25.639 5.090 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.249 2.344 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -24.959 3.817 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.578 3.021 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -27.282 3.058 -2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.063 4.710 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -28.717 6.372 -4.302 1.00 0.00 H new ATOM 1003 N THR A 64 -22.878 3.542 -6.067 1.00 0.00 N ATOM 1004 CA THR A 64 -21.392 3.751 -6.084 1.00 0.00 C ATOM 1005 C THR A 64 -20.936 4.145 -4.674 1.00 0.00 C ATOM 1006 O THR A 64 -20.272 5.143 -4.469 1.00 0.00 O ATOM 1007 CB THR A 64 -21.158 4.892 -7.070 1.00 0.00 C ATOM 1008 OG1 THR A 64 -21.724 4.564 -8.332 1.00 0.00 O ATOM 1009 CG2 THR A 64 -19.657 5.132 -7.221 1.00 0.00 C ATOM 0 H THR A 64 -23.207 2.727 -6.585 1.00 0.00 H new ATOM 0 HA THR A 64 -20.837 2.860 -6.377 1.00 0.00 H new ATOM 0 HB THR A 64 -21.634 5.798 -6.694 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.113 3.975 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.488 5.947 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.231 5.395 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.179 4.226 -7.593 1.00 0.00 H new ATOM 1017 N HIS A 65 -21.350 3.380 -3.699 1.00 0.00 N ATOM 1018 CA HIS A 65 -21.023 3.703 -2.278 1.00 0.00 C ATOM 1019 C HIS A 65 -19.537 3.489 -1.927 1.00 0.00 C ATOM 1020 O HIS A 65 -19.107 3.893 -0.864 1.00 0.00 O ATOM 1021 CB HIS A 65 -21.927 2.790 -1.464 1.00 0.00 C ATOM 1022 CG HIS A 65 -23.243 3.481 -1.231 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -23.600 4.808 -1.259 1.00 0.00 N flip ATOM 1024 CD2 HIS A 65 -24.403 2.784 -0.940 1.00 0.00 C flip ATOM 1025 CE1 HIS A 65 -24.958 4.933 -0.993 1.00 0.00 C flip ATOM 1026 NE2 HIS A 65 -25.394 3.686 -0.810 1.00 0.00 N flip ATOM 0 H HIS A 65 -21.907 2.535 -3.828 1.00 0.00 H new ATOM 0 HA HIS A 65 -21.189 4.760 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -22.084 1.849 -1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -21.456 2.547 -0.512 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -24.496 1.713 -0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -25.536 5.844 -0.945 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -26.362 3.445 -0.597 1.00 0.00 H new ATOM 1034 N GLN A 66 -18.750 2.925 -2.818 1.00 0.00 N ATOM 1035 CA GLN A 66 -17.271 2.752 -2.567 1.00 0.00 C ATOM 1036 C GLN A 66 -16.945 1.797 -1.404 1.00 0.00 C ATOM 1037 O GLN A 66 -16.331 0.770 -1.603 1.00 0.00 O ATOM 1038 CB GLN A 66 -16.735 4.154 -2.238 1.00 0.00 C ATOM 1039 CG GLN A 66 -17.214 5.186 -3.263 1.00 0.00 C ATOM 1040 CD GLN A 66 -17.818 6.381 -2.515 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -19.097 6.393 -2.249 1.00 0.00 O flip ATOM 1042 NE2 GLN A 66 -17.118 7.312 -2.172 1.00 0.00 N flip ATOM 0 H GLN A 66 -19.070 2.572 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 66 -16.811 2.306 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -17.065 4.447 -1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -15.645 4.134 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -16.382 5.513 -3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -17.956 4.742 -3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -16.119 7.303 -2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -17.529 8.103 -1.676 1.00 0.00 H new ATOM 1051 N ASP A 67 -17.299 2.152 -0.193 1.00 0.00 N ATOM 1052 CA ASP A 67 -16.955 1.292 0.983 1.00 0.00 C ATOM 1053 C ASP A 67 -17.846 0.039 1.059 1.00 0.00 C ATOM 1054 O ASP A 67 -17.331 -1.055 1.181 1.00 0.00 O ATOM 1055 CB ASP A 67 -17.157 2.201 2.203 1.00 0.00 C ATOM 1056 CG ASP A 67 -16.951 1.406 3.497 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -17.911 0.821 3.971 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -15.837 1.401 3.996 1.00 0.00 O ATOM 0 H ASP A 67 -17.813 3.003 0.033 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.936 0.910 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.456 3.034 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.160 2.627 2.186 1.00 0.00 H new ATOM 1063 N PRO A 68 -19.148 0.221 0.990 1.00 0.00 N ATOM 1064 CA PRO A 68 -20.069 -0.939 1.048 1.00 0.00 C ATOM 1065 C PRO A 68 -20.113 -1.687 -0.301 1.00 0.00 C ATOM 1066 O PRO A 68 -20.364 -2.877 -0.329 1.00 0.00 O ATOM 1067 CB PRO A 68 -21.420 -0.316 1.369 1.00 0.00 C ATOM 1068 CG PRO A 68 -21.324 1.084 0.859 1.00 0.00 C ATOM 1069 CD PRO A 68 -19.873 1.490 0.874 1.00 0.00 C ATOM 0 HA PRO A 68 -19.760 -1.681 1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.231 -0.859 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.620 -0.334 2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -21.727 1.149 -0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.914 1.757 1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.599 2.024 -0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.653 2.153 1.711 1.00 0.00 H new ATOM 1077 N ILE A 69 -19.877 -1.018 -1.421 1.00 0.00 N ATOM 1078 CA ILE A 69 -19.920 -1.737 -2.737 1.00 0.00 C ATOM 1079 C ILE A 69 -18.591 -1.561 -3.518 1.00 0.00 C ATOM 1080 O ILE A 69 -18.600 -1.280 -4.704 1.00 0.00 O ATOM 1081 CB ILE A 69 -21.117 -1.126 -3.495 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -20.733 0.204 -4.147 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -22.283 -0.888 -2.533 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -21.108 0.158 -5.628 1.00 0.00 C ATOM 0 H ILE A 69 -19.661 -0.023 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 69 -20.039 -2.813 -2.609 1.00 0.00 H new ATOM 0 HB ILE A 69 -21.414 -1.830 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -21.248 1.028 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.664 0.384 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -23.122 -0.457 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.587 -1.836 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -21.971 -0.202 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -20.838 1.102 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -20.572 -0.658 -6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -22.181 -0.003 -5.727 1.00 0.00 H new ATOM 1096 N PRO A 70 -17.482 -1.761 -2.832 1.00 0.00 N ATOM 1097 CA PRO A 70 -16.142 -1.639 -3.479 1.00 0.00 C ATOM 1098 C PRO A 70 -15.899 -2.765 -4.500 1.00 0.00 C ATOM 1099 O PRO A 70 -14.841 -2.847 -5.096 1.00 0.00 O ATOM 1100 CB PRO A 70 -15.167 -1.771 -2.310 1.00 0.00 C ATOM 1101 CG PRO A 70 -15.929 -2.535 -1.278 1.00 0.00 C ATOM 1102 CD PRO A 70 -17.368 -2.120 -1.415 1.00 0.00 C ATOM 0 HA PRO A 70 -16.037 -0.707 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.260 -2.298 -2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.860 -0.794 -1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.819 -3.609 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.555 -2.315 -0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.047 -2.930 -1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.607 -1.278 -0.766 1.00 0.00 H new ATOM 1110 N LYS A 71 -16.860 -3.631 -4.699 1.00 0.00 N ATOM 1111 CA LYS A 71 -16.681 -4.750 -5.669 1.00 0.00 C ATOM 1112 C LYS A 71 -16.884 -4.265 -7.112 1.00 0.00 C ATOM 1113 O LYS A 71 -16.294 -4.804 -8.030 1.00 0.00 O ATOM 1114 CB LYS A 71 -17.747 -5.793 -5.287 1.00 0.00 C ATOM 1115 CG LYS A 71 -19.148 -5.160 -5.316 1.00 0.00 C ATOM 1116 CD LYS A 71 -19.912 -5.442 -4.017 1.00 0.00 C ATOM 1117 CE LYS A 71 -19.040 -5.111 -2.797 1.00 0.00 C ATOM 1118 NZ LYS A 71 -19.921 -5.395 -1.628 1.00 0.00 N ATOM 0 H LYS A 71 -17.765 -3.610 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.674 -5.164 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.706 -6.634 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.539 -6.188 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.060 -4.083 -5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -19.710 -5.553 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.826 -4.849 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -20.211 -6.490 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.139 -5.723 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.718 -4.070 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.115 -4.511 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.817 -5.806 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.447 -6.067 -0.991 1.00 0.00 H new ATOM 1132 N GLN A 72 -17.719 -3.269 -7.331 1.00 0.00 N ATOM 1133 CA GLN A 72 -17.951 -2.790 -8.731 1.00 0.00 C ATOM 1134 C GLN A 72 -18.758 -1.491 -8.732 1.00 0.00 C ATOM 1135 O GLN A 72 -19.245 -1.063 -7.703 1.00 0.00 O ATOM 1136 CB GLN A 72 -18.766 -3.903 -9.428 1.00 0.00 C ATOM 1137 CG GLN A 72 -19.563 -4.740 -8.413 1.00 0.00 C ATOM 1138 CD GLN A 72 -20.894 -4.060 -8.060 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -20.969 -3.232 -7.041 1.00 0.00 O flip ATOM 1140 NE2 GLN A 72 -21.887 -4.289 -8.722 1.00 0.00 N flip ATOM 0 H GLN A 72 -18.242 -2.775 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 72 -17.007 -2.590 -9.238 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -19.450 -3.456 -10.150 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -18.092 -4.552 -9.987 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -19.755 -5.731 -8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -18.971 -4.880 -7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -21.836 -4.930 -9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -22.772 -3.840 -8.486 1.00 0.00 H new ATOM 1149 N PRO A 73 -18.908 -0.920 -9.905 1.00 0.00 N ATOM 1150 CA PRO A 73 -19.709 0.319 -10.046 1.00 0.00 C ATOM 1151 C PRO A 73 -21.168 -0.008 -9.709 1.00 0.00 C ATOM 1152 O PRO A 73 -21.817 0.712 -8.974 1.00 0.00 O ATOM 1153 CB PRO A 73 -19.536 0.695 -11.516 1.00 0.00 C ATOM 1154 CG PRO A 73 -19.201 -0.602 -12.179 1.00 0.00 C ATOM 1155 CD PRO A 73 -18.359 -1.364 -11.195 1.00 0.00 C ATOM 0 HA PRO A 73 -19.406 1.134 -9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.446 1.131 -11.927 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.742 1.430 -11.650 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.105 -1.157 -12.431 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.659 -0.436 -13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.453 -2.442 -11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.301 -1.122 -11.292 1.00 0.00 H new ATOM 1163 N SER A 74 -21.663 -1.122 -10.223 1.00 0.00 N ATOM 1164 CA SER A 74 -23.063 -1.567 -9.932 1.00 0.00 C ATOM 1165 C SER A 74 -24.090 -0.585 -10.490 1.00 0.00 C ATOM 1166 O SER A 74 -24.122 0.568 -10.115 1.00 0.00 O ATOM 1167 CB SER A 74 -23.146 -1.642 -8.404 1.00 0.00 C ATOM 1168 OG SER A 74 -24.007 -2.706 -8.024 1.00 0.00 O ATOM 0 H SER A 74 -21.142 -1.745 -10.840 1.00 0.00 H new ATOM 0 HA SER A 74 -23.286 -2.525 -10.402 1.00 0.00 H new ATOM 0 HB2 SER A 74 -22.153 -1.797 -7.983 1.00 0.00 H new ATOM 0 HB3 SER A 74 -23.518 -0.699 -8.003 1.00 0.00 H new ATOM 0 HG SER A 74 -24.057 -2.753 -7.046 1.00 0.00 H new ATOM 1174 N SER A 75 -24.937 -1.052 -11.388 1.00 0.00 N ATOM 1175 CA SER A 75 -25.996 -0.178 -12.000 1.00 0.00 C ATOM 1176 C SER A 75 -25.415 0.759 -13.074 1.00 0.00 C ATOM 1177 O SER A 75 -26.123 1.201 -13.955 1.00 0.00 O ATOM 1178 CB SER A 75 -26.596 0.617 -10.840 1.00 0.00 C ATOM 1179 OG SER A 75 -27.994 0.766 -11.034 1.00 0.00 O ATOM 0 H SER A 75 -24.937 -2.015 -11.725 1.00 0.00 H new ATOM 0 HA SER A 75 -26.750 -0.776 -12.512 1.00 0.00 H new ATOM 0 HB2 SER A 75 -26.403 0.105 -9.897 1.00 0.00 H new ATOM 0 HB3 SER A 75 -26.122 1.596 -10.774 1.00 0.00 H new ATOM 0 HG SER A 75 -28.375 1.274 -10.288 1.00 0.00 H new ATOM 1185 N GLN A 76 -24.139 1.059 -13.025 1.00 0.00 N ATOM 1186 CA GLN A 76 -23.536 1.951 -14.065 1.00 0.00 C ATOM 1187 C GLN A 76 -23.320 1.177 -15.378 1.00 0.00 C ATOM 1188 O GLN A 76 -23.647 1.676 -16.438 1.00 0.00 O ATOM 1189 CB GLN A 76 -22.192 2.404 -13.490 1.00 0.00 C ATOM 1190 CG GLN A 76 -22.391 3.660 -12.641 1.00 0.00 C ATOM 1191 CD GLN A 76 -22.354 3.282 -11.160 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -21.295 3.098 -10.596 1.00 0.00 O ATOM 1193 NE2 GLN A 76 -23.474 3.156 -10.504 1.00 0.00 N ATOM 0 H GLN A 76 -23.491 0.726 -12.312 1.00 0.00 H new ATOM 0 HA GLN A 76 -24.185 2.797 -14.294 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -21.758 1.609 -12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -21.490 2.607 -14.298 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -21.611 4.389 -12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -23.344 4.130 -12.884 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -24.363 3.311 -10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -23.461 2.903 -9.516 1.00 0.00 H new ATOM 1202 N PRO A 77 -22.774 -0.022 -15.270 1.00 0.00 N ATOM 1203 CA PRO A 77 -22.523 -0.850 -16.478 1.00 0.00 C ATOM 1204 C PRO A 77 -23.824 -1.461 -17.024 1.00 0.00 C ATOM 1205 O PRO A 77 -23.836 -2.025 -18.103 1.00 0.00 O ATOM 1206 CB PRO A 77 -21.578 -1.941 -15.980 1.00 0.00 C ATOM 1207 CG PRO A 77 -21.848 -2.048 -14.512 1.00 0.00 C ATOM 1208 CD PRO A 77 -22.346 -0.707 -14.038 1.00 0.00 C ATOM 0 HA PRO A 77 -22.107 -0.268 -17.301 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -21.767 -2.888 -16.486 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -20.537 -1.679 -16.172 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -22.589 -2.822 -14.315 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -20.942 -2.330 -13.976 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -23.172 -0.815 -13.335 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -21.562 -0.150 -13.525 1.00 0.00 H new ATOM 1216 N ARG A 78 -24.915 -1.362 -16.298 1.00 0.00 N ATOM 1217 CA ARG A 78 -26.197 -1.952 -16.795 1.00 0.00 C ATOM 1218 C ARG A 78 -27.413 -1.175 -16.260 1.00 0.00 C ATOM 1219 O ARG A 78 -28.446 -1.753 -15.973 1.00 0.00 O ATOM 1220 CB ARG A 78 -26.197 -3.391 -16.262 1.00 0.00 C ATOM 1221 CG ARG A 78 -26.171 -3.379 -14.728 1.00 0.00 C ATOM 1222 CD ARG A 78 -26.042 -4.813 -14.205 1.00 0.00 C ATOM 1223 NE ARG A 78 -24.587 -4.976 -13.914 1.00 0.00 N ATOM 1224 CZ ARG A 78 -24.160 -6.053 -13.310 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -23.953 -7.148 -13.996 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -23.941 -6.034 -12.021 1.00 0.00 N ATOM 0 H ARG A 78 -24.971 -0.901 -15.390 1.00 0.00 H new ATOM 0 HA ARG A 78 -26.268 -1.911 -17.882 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -27.083 -3.919 -16.615 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -25.330 -3.930 -16.645 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -25.336 -2.775 -14.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -27.082 -2.921 -14.342 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.645 -4.965 -13.310 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -26.382 -5.537 -14.945 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.927 -4.248 -14.186 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -24.125 -7.160 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -23.620 -7.989 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.104 -5.179 -11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.608 -6.874 -11.548 1.00 0.00 H new ATOM 1240 N GLY A 79 -27.304 0.124 -16.125 1.00 0.00 N ATOM 1241 CA GLY A 79 -28.459 0.920 -15.608 1.00 0.00 C ATOM 1242 C GLY A 79 -28.386 2.352 -16.140 1.00 0.00 C ATOM 1243 O GLY A 79 -28.748 2.622 -17.270 1.00 0.00 O ATOM 0 H GLY A 79 -26.469 0.665 -16.349 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -29.397 0.457 -15.914 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -28.448 0.927 -14.518 1.00 0.00 H new ATOM 1247 N ASP A 80 -27.924 3.272 -15.330 1.00 0.00 N ATOM 1248 CA ASP A 80 -27.827 4.693 -15.780 1.00 0.00 C ATOM 1249 C ASP A 80 -26.628 4.873 -16.722 1.00 0.00 C ATOM 1250 O ASP A 80 -25.555 4.365 -16.455 1.00 0.00 O ATOM 1251 CB ASP A 80 -27.629 5.509 -14.496 1.00 0.00 C ATOM 1252 CG ASP A 80 -27.338 6.972 -14.846 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -28.286 7.713 -15.044 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -26.171 7.325 -14.911 1.00 0.00 O ATOM 0 H ASP A 80 -27.610 3.099 -14.375 1.00 0.00 H new ATOM 0 HA ASP A 80 -28.713 5.010 -16.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -28.522 5.446 -13.874 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -26.805 5.094 -13.915 1.00 0.00 H new ATOM 1259 N PRO A 81 -26.852 5.603 -17.792 1.00 0.00 N ATOM 1260 CA PRO A 81 -25.770 5.862 -18.773 1.00 0.00 C ATOM 1261 C PRO A 81 -24.748 6.839 -18.176 1.00 0.00 C ATOM 1262 O PRO A 81 -24.817 8.035 -18.386 1.00 0.00 O ATOM 1263 CB PRO A 81 -26.500 6.483 -19.963 1.00 0.00 C ATOM 1264 CG PRO A 81 -27.735 7.088 -19.372 1.00 0.00 C ATOM 1265 CD PRO A 81 -28.118 6.243 -18.183 1.00 0.00 C ATOM 0 HA PRO A 81 -25.213 4.968 -19.053 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -25.886 7.237 -20.456 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.746 5.732 -20.713 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -27.552 8.119 -19.069 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -28.542 7.110 -20.105 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.527 6.850 -17.375 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -28.877 5.505 -18.443 1.00 0.00 H new ATOM 1273 N THR A 82 -23.806 6.330 -17.421 1.00 0.00 N ATOM 1274 CA THR A 82 -22.778 7.217 -16.793 1.00 0.00 C ATOM 1275 C THR A 82 -21.817 7.757 -17.855 1.00 0.00 C ATOM 1276 O THR A 82 -21.597 8.950 -17.952 1.00 0.00 O ATOM 1277 CB THR A 82 -22.025 6.332 -15.792 1.00 0.00 C ATOM 1278 OG1 THR A 82 -21.573 5.150 -16.440 1.00 0.00 O ATOM 1279 CG2 THR A 82 -22.954 5.958 -14.636 1.00 0.00 C ATOM 0 H THR A 82 -23.704 5.337 -17.212 1.00 0.00 H new ATOM 0 HA THR A 82 -23.234 8.079 -16.307 1.00 0.00 H new ATOM 0 HB THR A 82 -21.167 6.881 -15.404 1.00 0.00 H new ATOM 0 HG1 THR A 82 -22.014 4.370 -16.042 1.00 0.00 H new ATOM 0 HG21 THR A 82 -22.417 5.329 -13.926 1.00 0.00 H new ATOM 0 HG22 THR A 82 -23.293 6.864 -14.134 1.00 0.00 H new ATOM 0 HG23 THR A 82 -23.815 5.414 -15.023 1.00 0.00 H new ATOM 1287 N GLY A 83 -21.244 6.889 -18.647 1.00 0.00 N ATOM 1288 CA GLY A 83 -20.297 7.348 -19.699 1.00 0.00 C ATOM 1289 C GLY A 83 -19.433 6.171 -20.162 1.00 0.00 C ATOM 1290 O GLY A 83 -19.805 5.455 -21.073 1.00 0.00 O ATOM 0 H GLY A 83 -21.393 5.881 -18.609 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.848 7.762 -20.543 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.664 8.146 -19.310 1.00 0.00 H new ATOM 1294 N PRO A 84 -18.296 6.019 -19.526 1.00 0.00 N ATOM 1295 CA PRO A 84 -17.352 4.942 -19.871 1.00 0.00 C ATOM 1296 C PRO A 84 -17.523 3.705 -18.968 1.00 0.00 C ATOM 1297 O PRO A 84 -16.855 2.706 -19.160 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.002 5.613 -19.629 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.273 6.713 -18.625 1.00 0.00 C ATOM 1300 CD PRO A 84 -17.767 6.828 -18.434 1.00 0.00 C ATOM 0 HA PRO A 84 -17.489 4.562 -20.883 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.273 4.900 -19.244 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.593 6.018 -20.555 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.786 6.489 -17.676 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.862 7.659 -18.979 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -18.081 6.449 -17.461 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.104 7.863 -18.497 1.00 0.00 H new ATOM 1308 N LYS A 85 -18.406 3.750 -17.996 1.00 0.00 N ATOM 1309 CA LYS A 85 -18.598 2.558 -17.107 1.00 0.00 C ATOM 1310 C LYS A 85 -19.670 1.626 -17.689 1.00 0.00 C ATOM 1311 O LYS A 85 -20.088 0.681 -17.049 1.00 0.00 O ATOM 1312 CB LYS A 85 -19.059 3.111 -15.749 1.00 0.00 C ATOM 1313 CG LYS A 85 -18.189 4.300 -15.318 1.00 0.00 C ATOM 1314 CD LYS A 85 -16.709 3.969 -15.512 1.00 0.00 C ATOM 1315 CE LYS A 85 -15.866 5.194 -15.153 1.00 0.00 C ATOM 1316 NZ LYS A 85 -14.456 4.722 -15.279 1.00 0.00 N ATOM 0 H LYS A 85 -18.997 4.553 -17.781 1.00 0.00 H new ATOM 0 HA LYS A 85 -17.679 1.980 -17.013 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -20.102 3.423 -15.814 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.007 2.325 -14.995 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.451 5.182 -15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.381 4.541 -14.272 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.428 3.123 -14.884 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.523 3.675 -16.545 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.068 6.027 -15.826 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.080 5.542 -14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.831 5.345 -14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.382 3.750 -14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.172 4.741 -16.279 1.00 0.00 H new ATOM 1330 N GLU A 86 -20.118 1.889 -18.895 1.00 0.00 N ATOM 1331 CA GLU A 86 -21.164 1.027 -19.523 1.00 0.00 C ATOM 1332 C GLU A 86 -20.550 -0.293 -20.007 1.00 0.00 C ATOM 1333 O GLU A 86 -19.774 -0.259 -20.950 1.00 0.00 O ATOM 1334 CB GLU A 86 -21.696 1.853 -20.701 1.00 0.00 C ATOM 1335 CG GLU A 86 -22.330 3.146 -20.174 1.00 0.00 C ATOM 1336 CD GLU A 86 -22.951 3.939 -21.330 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -22.241 4.222 -22.283 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -24.125 4.255 -21.239 1.00 0.00 O ATOM 1339 OXT GLU A 86 -20.864 -1.316 -19.422 1.00 0.00 O ATOM 0 H GLU A 86 -19.801 2.668 -19.472 1.00 0.00 H new ATOM 0 HA GLU A 86 -21.957 0.759 -18.825 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -20.885 2.088 -21.390 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -22.432 1.276 -21.260 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -23.094 2.910 -19.433 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.576 3.751 -19.672 1.00 0.00 H new