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 64 THR OG1 : rot 108:sc= 1.2 USER MOD Set 1.2: A 75 SER OG : rot -36:sc= -2.85! USER MOD Set 1.3: A 76 GLN :FLIP amide:sc= -0.0331 F(o=-6.8!,f=-1.7) USER MOD Set 2.1: A 40 THR OG1 : rot 164:sc= 1.98 USER MOD Set 2.2: A 47 TYR OH : rot 135:sc= 0.414 USER MOD Set 3.1: A 23 ASN : amide:sc= -3.22 K(o=-3.5,f=-4.7!) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 179:sc= -0.283 (180deg=-0.283) USER MOD Set 4.1: A 12 ASN :FLIP amide:sc= -3 F(o=-16!,f=-14) USER MOD Set 4.2: A 63 GLN :FLIP amide:sc= -3.3! C(o=-16!,f=-14!) USER MOD Set 4.3: A 65 HIS :FLIP no HD1:sc= -7.34! C(o=-15!,f=-14!) USER MOD Single : A 1 LEU N :NH3+ 132:sc= 0.0703 (180deg=-0.211) USER MOD Single : A 7 ASN : amide:sc= 0.408 X(o=0.41,f=-0.014) USER MOD Single : A 13 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 16 SER OG : rot -39:sc= 0.208 USER MOD Single : A 17 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.4!) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.0809 (180deg=-1.06) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -34:sc= 0.728 USER MOD Single : A 26 HIS : no HE2:sc= -12.5! C(o=-13!,f=-14!) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.494 (180deg=-1.07) USER MOD Single : A 30 SER OG : rot 114:sc= 0.172 USER MOD Single : A 32 TYR OH : rot 38:sc= 1.39 USER MOD Single : A 33 HIS : no HD1:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 34 SER OG : rot 170:sc= -0.654 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.604 F(o=-3,f=0.6) USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= -0.512 (180deg=-0.833) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.2!) USER MOD Single : A 66 GLN :FLIP amide:sc= -3.06! C(o=-4.6!,f=-3.1!) USER MOD Single : A 71 LYS NZ :NH3+ -109:sc= 0.688 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -2.88 K(o=-2.9,f=-3.7!) USER MOD Single : A 74 SER OG : rot -82:sc= 0.737! USER MOD Single : A 82 THR OG1 : rot -125:sc= -3.98! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -24.414 20.867 9.133 1.00 0.00 N ATOM 2 CA LEU A 1 -23.940 19.502 8.745 1.00 0.00 C ATOM 3 C LEU A 1 -24.931 18.432 9.217 1.00 0.00 C ATOM 4 O LEU A 1 -25.837 18.705 9.983 1.00 0.00 O ATOM 5 CB LEU A 1 -22.575 19.328 9.428 1.00 0.00 C ATOM 6 CG LEU A 1 -22.747 19.234 10.949 1.00 0.00 C ATOM 7 CD1 LEU A 1 -22.274 17.864 11.442 1.00 0.00 C ATOM 8 CD2 LEU A 1 -21.974 20.357 11.647 1.00 0.00 C ATOM 0 H1 LEU A 1 -23.633 21.393 9.574 1.00 0.00 H new ATOM 0 H2 LEU A 1 -24.739 21.375 8.286 1.00 0.00 H new ATOM 0 H3 LEU A 1 -25.200 20.782 9.809 1.00 0.00 H new ATOM 0 HA LEU A 1 -23.860 19.394 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -22.086 18.428 9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -21.927 20.169 9.180 1.00 0.00 H new ATOM 0 HG LEU A 1 -23.803 19.349 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -22.399 17.803 12.523 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -22.864 17.082 10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -21.222 17.730 11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -22.107 20.275 12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -20.914 20.274 11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -22.349 21.322 11.308 1.00 0.00 H new ATOM 22 N ASP A 2 -24.759 17.217 8.750 1.00 0.00 N ATOM 23 CA ASP A 2 -25.674 16.097 9.136 1.00 0.00 C ATOM 24 C ASP A 2 -27.151 16.530 9.057 1.00 0.00 C ATOM 25 O ASP A 2 -27.865 16.482 10.042 1.00 0.00 O ATOM 26 CB ASP A 2 -25.282 15.733 10.572 1.00 0.00 C ATOM 27 CG ASP A 2 -25.508 14.236 10.799 1.00 0.00 C ATOM 28 OD1 ASP A 2 -26.628 13.866 11.117 1.00 0.00 O ATOM 29 OD2 ASP A 2 -24.558 13.483 10.651 1.00 0.00 O ATOM 0 H ASP A 2 -24.012 16.952 8.108 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.576 15.247 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -24.237 15.985 10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -25.874 16.313 11.280 1.00 0.00 H new ATOM 34 N PRO A 3 -27.567 16.924 7.873 1.00 0.00 N ATOM 35 CA PRO A 3 -28.968 17.343 7.657 1.00 0.00 C ATOM 36 C PRO A 3 -29.813 16.083 7.399 1.00 0.00 C ATOM 37 O PRO A 3 -30.321 15.476 8.323 1.00 0.00 O ATOM 38 CB PRO A 3 -28.882 18.247 6.428 1.00 0.00 C ATOM 39 CG PRO A 3 -27.649 17.802 5.690 1.00 0.00 C ATOM 40 CD PRO A 3 -26.779 17.006 6.641 1.00 0.00 C ATOM 0 HA PRO A 3 -29.431 17.862 8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -29.770 18.148 5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -28.810 19.296 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -27.923 17.193 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -27.103 18.665 5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -26.559 16.015 6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -25.823 17.500 6.813 1.00 0.00 H new ATOM 48 N VAL A 4 -29.907 15.647 6.163 1.00 0.00 N ATOM 49 CA VAL A 4 -30.648 14.385 5.863 1.00 0.00 C ATOM 50 C VAL A 4 -29.784 13.239 6.396 1.00 0.00 C ATOM 51 O VAL A 4 -30.196 12.446 7.222 1.00 0.00 O ATOM 52 CB VAL A 4 -30.739 14.338 4.330 1.00 0.00 C ATOM 53 CG1 VAL A 4 -31.019 12.943 3.759 1.00 0.00 C ATOM 54 CG2 VAL A 4 -31.878 15.261 3.881 1.00 0.00 C ATOM 0 H VAL A 4 -29.501 16.113 5.351 1.00 0.00 H new ATOM 0 HA VAL A 4 -31.641 14.320 6.308 1.00 0.00 H new ATOM 0 HB VAL A 4 -29.764 14.650 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -31.068 12.998 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -30.220 12.263 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -31.969 12.575 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -31.957 15.240 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -32.816 14.921 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -31.672 16.280 4.210 1.00 0.00 H new ATOM 64 N ASP A 5 -28.558 13.217 5.949 1.00 0.00 N ATOM 65 CA ASP A 5 -27.558 12.217 6.408 1.00 0.00 C ATOM 66 C ASP A 5 -26.179 12.853 6.166 1.00 0.00 C ATOM 67 O ASP A 5 -25.566 13.322 7.104 1.00 0.00 O ATOM 68 CB ASP A 5 -27.797 10.945 5.578 1.00 0.00 C ATOM 69 CG ASP A 5 -28.847 10.062 6.263 1.00 0.00 C ATOM 70 OD1 ASP A 5 -28.592 9.610 7.366 1.00 0.00 O ATOM 71 OD2 ASP A 5 -29.892 9.852 5.667 1.00 0.00 O ATOM 0 H ASP A 5 -28.198 13.877 5.259 1.00 0.00 H new ATOM 0 HA ASP A 5 -27.630 11.946 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -28.132 11.212 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -26.864 10.394 5.465 1.00 0.00 H new ATOM 76 N PRO A 6 -25.766 12.939 4.912 1.00 0.00 N ATOM 77 CA PRO A 6 -24.506 13.623 4.583 1.00 0.00 C ATOM 78 C PRO A 6 -24.851 15.079 4.244 1.00 0.00 C ATOM 79 O PRO A 6 -25.991 15.485 4.367 1.00 0.00 O ATOM 80 CB PRO A 6 -24.008 12.881 3.352 1.00 0.00 C ATOM 81 CG PRO A 6 -25.243 12.300 2.718 1.00 0.00 C ATOM 82 CD PRO A 6 -26.398 12.421 3.693 1.00 0.00 C ATOM 0 HA PRO A 6 -23.762 13.627 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.493 13.555 2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.299 12.099 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -25.475 12.826 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -25.077 11.255 2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -27.167 13.098 3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.878 11.458 3.868 1.00 0.00 H new ATOM 90 N ASN A 7 -23.912 15.869 3.808 1.00 0.00 N ATOM 91 CA ASN A 7 -24.252 17.286 3.472 1.00 0.00 C ATOM 92 C ASN A 7 -25.024 17.351 2.146 1.00 0.00 C ATOM 93 O ASN A 7 -26.075 17.959 2.068 1.00 0.00 O ATOM 94 CB ASN A 7 -22.911 18.019 3.368 1.00 0.00 C ATOM 95 CG ASN A 7 -22.372 18.288 4.777 1.00 0.00 C ATOM 96 OD1 ASN A 7 -22.543 19.366 5.309 1.00 0.00 O ATOM 97 ND2 ASN A 7 -21.725 17.345 5.408 1.00 0.00 N ATOM 0 H ASN A 7 -22.937 15.604 3.670 1.00 0.00 H new ATOM 0 HA ASN A 7 -24.893 17.742 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -22.198 17.419 2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -23.037 18.958 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -21.364 17.515 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -21.581 16.439 4.962 1.00 0.00 H new ATOM 104 N ILE A 8 -24.522 16.722 1.113 1.00 0.00 N ATOM 105 CA ILE A 8 -25.242 16.741 -0.206 1.00 0.00 C ATOM 106 C ILE A 8 -25.295 15.332 -0.818 1.00 0.00 C ATOM 107 O ILE A 8 -25.536 15.181 -2.002 1.00 0.00 O ATOM 108 CB ILE A 8 -24.454 17.711 -1.123 1.00 0.00 C ATOM 109 CG1 ILE A 8 -23.258 17.006 -1.793 1.00 0.00 C ATOM 110 CG2 ILE A 8 -23.956 18.921 -0.321 1.00 0.00 C ATOM 111 CD1 ILE A 8 -22.317 16.404 -0.748 1.00 0.00 C ATOM 0 H ILE A 8 -23.648 16.197 1.121 1.00 0.00 H new ATOM 0 HA ILE A 8 -26.274 17.070 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 8 -25.135 18.050 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -23.620 16.220 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -22.712 17.718 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -23.405 19.592 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -24.808 19.450 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -23.301 18.581 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.483 15.913 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -21.937 17.195 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -22.860 15.674 -0.147 1.00 0.00 H new ATOM 123 N GLU A 9 -25.068 14.301 -0.026 1.00 0.00 N ATOM 124 CA GLU A 9 -25.091 12.899 -0.562 1.00 0.00 C ATOM 125 C GLU A 9 -24.261 12.818 -1.852 1.00 0.00 C ATOM 126 O GLU A 9 -24.812 12.744 -2.932 1.00 0.00 O ATOM 127 CB GLU A 9 -26.567 12.590 -0.845 1.00 0.00 C ATOM 128 CG GLU A 9 -27.296 12.280 0.465 1.00 0.00 C ATOM 129 CD GLU A 9 -28.760 11.939 0.179 1.00 0.00 C ATOM 130 OE1 GLU A 9 -29.480 12.820 -0.265 1.00 0.00 O ATOM 131 OE2 GLU A 9 -29.139 10.803 0.414 1.00 0.00 O ATOM 0 H GLU A 9 -24.867 14.374 0.971 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.663 12.183 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.037 13.440 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.646 11.741 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.812 11.445 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.238 13.137 1.135 1.00 0.00 H new ATOM 138 N PRO A 10 -22.957 12.866 -1.702 1.00 0.00 N ATOM 139 CA PRO A 10 -22.056 12.818 -2.872 1.00 0.00 C ATOM 140 C PRO A 10 -21.600 11.390 -3.210 1.00 0.00 C ATOM 141 O PRO A 10 -20.536 11.197 -3.772 1.00 0.00 O ATOM 142 CB PRO A 10 -20.875 13.654 -2.413 1.00 0.00 C ATOM 143 CG PRO A 10 -20.876 13.566 -0.906 1.00 0.00 C ATOM 144 CD PRO A 10 -22.202 12.990 -0.454 1.00 0.00 C ATOM 0 HA PRO A 10 -22.539 13.178 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.941 13.274 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.974 14.687 -2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.054 12.937 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.725 14.553 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -22.075 12.025 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -22.704 13.646 0.257 1.00 0.00 H new ATOM 152 N TRP A 11 -22.395 10.397 -2.919 1.00 0.00 N ATOM 153 CA TRP A 11 -22.002 9.002 -3.277 1.00 0.00 C ATOM 154 C TRP A 11 -22.822 8.591 -4.505 1.00 0.00 C ATOM 155 O TRP A 11 -23.396 7.520 -4.560 1.00 0.00 O ATOM 156 CB TRP A 11 -22.370 8.128 -2.069 1.00 0.00 C ATOM 157 CG TRP A 11 -21.747 8.644 -0.808 1.00 0.00 C ATOM 158 CD1 TRP A 11 -22.150 9.746 -0.137 1.00 0.00 C ATOM 159 CD2 TRP A 11 -20.636 8.085 -0.043 1.00 0.00 C ATOM 160 NE1 TRP A 11 -21.350 9.910 0.978 1.00 0.00 N ATOM 161 CE2 TRP A 11 -20.405 8.910 1.081 1.00 0.00 C ATOM 162 CE3 TRP A 11 -19.811 6.957 -0.216 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -19.396 8.625 1.999 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -18.796 6.672 0.709 1.00 0.00 C ATOM 165 CH2 TRP A 11 -18.590 7.502 1.811 1.00 0.00 C ATOM 0 H TRP A 11 -23.296 10.489 -2.451 1.00 0.00 H new ATOM 0 HA TRP A 11 -20.941 8.903 -3.507 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -23.454 8.100 -1.956 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -22.041 7.104 -2.246 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -22.965 10.393 -0.425 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -21.446 10.677 1.644 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -19.961 6.308 -1.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -19.239 9.270 2.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -18.170 5.804 0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -17.806 7.275 2.519 1.00 0.00 H new ATOM 176 N ASN A 12 -22.896 9.471 -5.481 1.00 0.00 N ATOM 177 CA ASN A 12 -23.695 9.198 -6.711 1.00 0.00 C ATOM 178 C ASN A 12 -22.872 9.558 -7.954 1.00 0.00 C ATOM 179 O ASN A 12 -23.175 10.499 -8.666 1.00 0.00 O ATOM 180 CB ASN A 12 -24.921 10.117 -6.610 1.00 0.00 C ATOM 181 CG ASN A 12 -25.563 10.051 -5.219 1.00 0.00 C ATOM 182 OD1 ASN A 12 -24.948 10.597 -4.210 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 -26.645 9.525 -5.061 1.00 0.00 N flip ATOM 0 H ASN A 12 -22.428 10.377 -5.471 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.978 8.149 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -24.626 11.144 -6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -25.654 9.830 -7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -27.125 9.098 -5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -27.075 9.510 -4.136 1.00 0.00 H new ATOM 190 N HIS A 13 -21.830 8.821 -8.208 1.00 0.00 N ATOM 191 CA HIS A 13 -20.964 9.110 -9.393 1.00 0.00 C ATOM 192 C HIS A 13 -21.286 8.138 -10.541 1.00 0.00 C ATOM 193 O HIS A 13 -22.005 7.180 -10.354 1.00 0.00 O ATOM 194 CB HIS A 13 -19.533 8.867 -8.892 1.00 0.00 C ATOM 195 CG HIS A 13 -19.099 9.960 -7.946 1.00 0.00 C ATOM 196 ND1 HIS A 13 -17.854 9.946 -7.333 1.00 0.00 N ATOM 197 CD2 HIS A 13 -19.721 11.103 -7.502 1.00 0.00 C ATOM 198 CE1 HIS A 13 -17.766 11.046 -6.563 1.00 0.00 C ATOM 199 NE2 HIS A 13 -18.876 11.786 -6.629 1.00 0.00 N ATOM 0 H HIS A 13 -21.535 8.024 -7.644 1.00 0.00 H new ATOM 0 HA HIS A 13 -21.112 10.120 -9.775 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.479 7.902 -8.388 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -18.850 8.822 -9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -20.713 11.423 -7.786 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.903 11.300 -5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -19.065 12.663 -6.144 1.00 0.00 H new ATOM 207 N PRO A 14 -20.716 8.411 -11.691 1.00 0.00 N ATOM 208 CA PRO A 14 -20.906 7.530 -12.867 1.00 0.00 C ATOM 209 C PRO A 14 -19.918 6.354 -12.811 1.00 0.00 C ATOM 210 O PRO A 14 -20.098 5.348 -13.468 1.00 0.00 O ATOM 211 CB PRO A 14 -20.559 8.426 -14.049 1.00 0.00 C ATOM 212 CG PRO A 14 -19.634 9.467 -13.494 1.00 0.00 C ATOM 213 CD PRO A 14 -19.867 9.564 -12.003 1.00 0.00 C ATOM 0 HA PRO A 14 -21.910 7.110 -12.921 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.080 7.858 -14.846 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -21.454 8.881 -14.475 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.597 9.202 -13.700 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.817 10.430 -13.970 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.928 9.527 -11.451 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -20.356 10.501 -11.737 1.00 0.00 H new ATOM 221 N GLY A 15 -18.852 6.503 -12.062 1.00 0.00 N ATOM 222 CA GLY A 15 -17.819 5.433 -11.990 1.00 0.00 C ATOM 223 C GLY A 15 -16.938 5.535 -13.242 1.00 0.00 C ATOM 224 O GLY A 15 -16.323 4.573 -13.660 1.00 0.00 O ATOM 0 H GLY A 15 -18.656 7.328 -11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.215 5.547 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.291 4.452 -11.936 1.00 0.00 H new ATOM 228 N SER A 16 -16.896 6.702 -13.846 1.00 0.00 N ATOM 229 CA SER A 16 -16.084 6.900 -15.084 1.00 0.00 C ATOM 230 C SER A 16 -15.655 8.371 -15.245 1.00 0.00 C ATOM 231 O SER A 16 -15.144 8.757 -16.282 1.00 0.00 O ATOM 232 CB SER A 16 -17.037 6.509 -16.211 1.00 0.00 C ATOM 233 OG SER A 16 -16.313 6.362 -17.425 1.00 0.00 O ATOM 0 H SER A 16 -17.396 7.532 -13.527 1.00 0.00 H new ATOM 0 HA SER A 16 -15.165 6.315 -15.070 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.544 5.576 -15.964 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.809 7.270 -16.327 1.00 0.00 H new ATOM 0 HG SER A 16 -15.629 7.061 -17.485 1.00 0.00 H new ATOM 239 N GLN A 17 -15.857 9.197 -14.241 1.00 0.00 N ATOM 240 CA GLN A 17 -15.461 10.632 -14.360 1.00 0.00 C ATOM 241 C GLN A 17 -14.848 11.144 -13.042 1.00 0.00 C ATOM 242 O GLN A 17 -13.679 11.475 -13.010 1.00 0.00 O ATOM 243 CB GLN A 17 -16.745 11.379 -14.719 1.00 0.00 C ATOM 244 CG GLN A 17 -17.081 11.134 -16.192 1.00 0.00 C ATOM 245 CD GLN A 17 -18.110 12.160 -16.676 1.00 0.00 C ATOM 246 OE1 GLN A 17 -18.606 12.960 -15.906 1.00 0.00 O ATOM 247 NE2 GLN A 17 -18.456 12.171 -17.933 1.00 0.00 N ATOM 0 H GLN A 17 -16.278 8.936 -13.349 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.694 10.784 -15.119 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -17.565 11.040 -14.086 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -16.621 12.446 -14.535 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.176 11.203 -16.796 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -17.474 10.125 -16.320 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -18.042 11.502 -18.582 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -19.141 12.849 -18.268 1.00 0.00 H new ATOM 256 N PRO A 18 -15.641 11.186 -11.983 1.00 0.00 N ATOM 257 CA PRO A 18 -15.122 11.652 -10.669 1.00 0.00 C ATOM 258 C PRO A 18 -14.173 10.603 -10.066 1.00 0.00 C ATOM 259 O PRO A 18 -13.523 10.848 -9.068 1.00 0.00 O ATOM 260 CB PRO A 18 -16.372 11.807 -9.813 1.00 0.00 C ATOM 261 CG PRO A 18 -17.360 10.872 -10.430 1.00 0.00 C ATOM 262 CD PRO A 18 -17.060 10.814 -11.905 1.00 0.00 C ATOM 0 HA PRO A 18 -14.550 12.577 -10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.176 11.549 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.736 12.834 -9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.283 9.881 -9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.378 11.221 -10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.236 9.818 -12.311 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.687 11.504 -12.469 1.00 0.00 H new ATOM 270 N LYS A 19 -14.092 9.438 -10.670 1.00 0.00 N ATOM 271 CA LYS A 19 -13.186 8.367 -10.158 1.00 0.00 C ATOM 272 C LYS A 19 -12.304 7.831 -11.301 1.00 0.00 C ATOM 273 O LYS A 19 -11.553 6.890 -11.119 1.00 0.00 O ATOM 274 CB LYS A 19 -14.106 7.255 -9.641 1.00 0.00 C ATOM 275 CG LYS A 19 -15.318 7.849 -8.916 1.00 0.00 C ATOM 276 CD LYS A 19 -16.225 6.721 -8.418 1.00 0.00 C ATOM 277 CE LYS A 19 -15.625 6.098 -7.152 1.00 0.00 C ATOM 278 NZ LYS A 19 -16.480 4.905 -6.885 1.00 0.00 N ATOM 0 H LYS A 19 -14.622 9.185 -11.504 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.523 8.739 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.441 6.637 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.553 6.604 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.988 8.461 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.872 8.504 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.222 7.109 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.336 5.961 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.583 5.815 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.646 6.797 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.938 4.205 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.318 5.193 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.780 4.484 -7.787 1.00 0.00 H new ATOM 292 N THR A 20 -12.394 8.414 -12.482 1.00 0.00 N ATOM 293 CA THR A 20 -11.569 7.926 -13.632 1.00 0.00 C ATOM 294 C THR A 20 -11.183 9.074 -14.580 1.00 0.00 C ATOM 295 O THR A 20 -10.088 9.093 -15.109 1.00 0.00 O ATOM 296 CB THR A 20 -12.467 6.918 -14.362 1.00 0.00 C ATOM 297 OG1 THR A 20 -12.597 5.741 -13.574 1.00 0.00 O ATOM 298 CG2 THR A 20 -11.850 6.558 -15.718 1.00 0.00 C ATOM 0 H THR A 20 -13.003 9.204 -12.693 1.00 0.00 H new ATOM 0 HA THR A 20 -10.632 7.486 -13.289 1.00 0.00 H new ATOM 0 HB THR A 20 -13.449 7.363 -14.521 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.172 5.098 -14.039 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.492 5.842 -16.231 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.753 7.459 -16.324 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.865 6.117 -15.564 1.00 0.00 H new ATOM 306 N ALA A 21 -12.074 10.011 -14.825 1.00 0.00 N ATOM 307 CA ALA A 21 -11.750 11.135 -15.769 1.00 0.00 C ATOM 308 C ALA A 21 -10.747 12.121 -15.151 1.00 0.00 C ATOM 309 O ALA A 21 -11.084 13.256 -14.864 1.00 0.00 O ATOM 310 CB ALA A 21 -13.082 11.832 -16.054 1.00 0.00 C ATOM 0 H ALA A 21 -13.007 10.046 -14.414 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.283 10.758 -16.679 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.918 12.664 -16.738 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.775 11.122 -16.506 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.503 12.207 -15.121 1.00 0.00 H new ATOM 316 N SER A 22 -9.511 11.696 -14.967 1.00 0.00 N ATOM 317 CA SER A 22 -8.450 12.592 -14.388 1.00 0.00 C ATOM 318 C SER A 22 -9.009 13.431 -13.228 1.00 0.00 C ATOM 319 O SER A 22 -8.730 14.608 -13.095 1.00 0.00 O ATOM 320 CB SER A 22 -8.011 13.466 -15.566 1.00 0.00 C ATOM 321 OG SER A 22 -8.894 14.568 -15.729 1.00 0.00 O ATOM 0 H SER A 22 -9.191 10.755 -15.197 1.00 0.00 H new ATOM 0 HA SER A 22 -7.615 12.036 -13.962 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.996 13.828 -15.399 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.991 12.871 -16.479 1.00 0.00 H new ATOM 0 HG SER A 22 -9.805 14.296 -15.491 1.00 0.00 H new ATOM 327 N ASN A 23 -9.805 12.814 -12.399 1.00 0.00 N ATOM 328 CA ASN A 23 -10.416 13.525 -11.243 1.00 0.00 C ATOM 329 C ASN A 23 -9.399 13.717 -10.111 1.00 0.00 C ATOM 330 O ASN A 23 -8.202 13.752 -10.328 1.00 0.00 O ATOM 331 CB ASN A 23 -11.560 12.599 -10.803 1.00 0.00 C ATOM 332 CG ASN A 23 -10.999 11.365 -10.075 1.00 0.00 C ATOM 333 OD1 ASN A 23 -10.906 11.348 -8.865 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.626 10.323 -10.766 1.00 0.00 N ATOM 0 H ASN A 23 -10.062 11.830 -12.476 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.761 14.526 -11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.241 13.139 -10.145 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.138 12.285 -11.672 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.259 9.500 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.702 10.332 -11.783 1.00 0.00 H new ATOM 341 N ARG A 24 -9.887 13.832 -8.903 1.00 0.00 N ATOM 342 CA ARG A 24 -9.003 14.011 -7.716 1.00 0.00 C ATOM 343 C ARG A 24 -7.977 12.871 -7.646 1.00 0.00 C ATOM 344 O ARG A 24 -6.821 13.053 -7.981 1.00 0.00 O ATOM 345 CB ARG A 24 -9.951 13.946 -6.513 1.00 0.00 C ATOM 346 CG ARG A 24 -10.982 15.073 -6.584 1.00 0.00 C ATOM 347 CD ARG A 24 -12.309 14.572 -6.004 1.00 0.00 C ATOM 348 NE ARG A 24 -12.848 13.648 -7.046 1.00 0.00 N ATOM 349 CZ ARG A 24 -13.831 14.029 -7.819 1.00 0.00 C ATOM 350 NH1 ARG A 24 -13.589 14.758 -8.879 1.00 0.00 N ATOM 351 NH2 ARG A 24 -15.058 13.677 -7.533 1.00 0.00 N ATOM 0 H ARG A 24 -10.884 13.809 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.442 14.945 -7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.458 12.981 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.380 14.025 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.631 15.941 -6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.119 15.393 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.158 14.056 -5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.995 15.397 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.448 12.716 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.632 15.030 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.358 15.054 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.246 13.107 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.827 13.973 -8.134 1.00 0.00 H new ATOM 365 N ALA A 25 -8.400 11.700 -7.214 1.00 0.00 N ATOM 366 CA ALA A 25 -7.473 10.526 -7.120 1.00 0.00 C ATOM 367 C ALA A 25 -6.402 10.752 -6.044 1.00 0.00 C ATOM 368 O ALA A 25 -5.234 10.479 -6.250 1.00 0.00 O ATOM 369 CB ALA A 25 -6.839 10.419 -8.503 1.00 0.00 C ATOM 0 H ALA A 25 -9.358 11.510 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.998 9.614 -6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.143 9.580 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.618 10.260 -9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.302 11.340 -8.729 1.00 0.00 H new ATOM 375 N HIS A 26 -6.799 11.234 -4.895 1.00 0.00 N ATOM 376 CA HIS A 26 -5.821 11.472 -3.788 1.00 0.00 C ATOM 377 C HIS A 26 -6.579 11.708 -2.470 1.00 0.00 C ATOM 378 O HIS A 26 -6.905 10.767 -1.781 1.00 0.00 O ATOM 379 CB HIS A 26 -4.963 12.693 -4.201 1.00 0.00 C ATOM 380 CG HIS A 26 -5.770 13.745 -4.932 1.00 0.00 C ATOM 381 ND1 HIS A 26 -5.173 14.758 -5.670 1.00 0.00 N ATOM 382 CD2 HIS A 26 -7.120 13.966 -5.031 1.00 0.00 C ATOM 383 CE1 HIS A 26 -6.158 15.531 -6.167 1.00 0.00 C ATOM 384 NE2 HIS A 26 -7.359 15.094 -5.803 1.00 0.00 N ATOM 0 H HIS A 26 -7.765 11.475 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.171 10.613 -3.623 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.515 13.136 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.144 12.359 -4.838 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.172 14.892 -5.810 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.884 13.353 -4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -5.992 16.400 -6.786 1.00 0.00 H new ATOM 392 N ALA A 27 -6.877 12.940 -2.120 1.00 0.00 N ATOM 393 CA ALA A 27 -7.629 13.211 -0.850 1.00 0.00 C ATOM 394 C ALA A 27 -8.962 12.437 -0.814 1.00 0.00 C ATOM 395 O ALA A 27 -9.517 12.206 0.242 1.00 0.00 O ATOM 396 CB ALA A 27 -7.896 14.716 -0.872 1.00 0.00 C ATOM 0 H ALA A 27 -6.631 13.770 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.065 12.895 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.445 15.001 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.948 15.253 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.486 14.968 -1.753 1.00 0.00 H new ATOM 402 N LYS A 28 -9.473 12.042 -1.959 1.00 0.00 N ATOM 403 CA LYS A 28 -10.769 11.284 -2.003 1.00 0.00 C ATOM 404 C LYS A 28 -10.640 9.928 -1.288 1.00 0.00 C ATOM 405 O LYS A 28 -11.584 9.438 -0.697 1.00 0.00 O ATOM 406 CB LYS A 28 -11.036 11.077 -3.493 1.00 0.00 C ATOM 407 CG LYS A 28 -12.255 10.171 -3.693 1.00 0.00 C ATOM 408 CD LYS A 28 -12.401 9.836 -5.180 1.00 0.00 C ATOM 409 CE LYS A 28 -11.449 8.690 -5.542 1.00 0.00 C ATOM 410 NZ LYS A 28 -11.579 8.556 -7.022 1.00 0.00 N ATOM 0 H LYS A 28 -9.046 12.213 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.575 11.819 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.206 12.039 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.162 10.632 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.141 9.256 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.155 10.668 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.430 9.551 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.177 10.714 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.423 8.918 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.726 7.767 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.947 7.802 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.562 8.317 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.319 9.455 -7.476 1.00 0.00 H new ATOM 424 N LYS A 29 -9.482 9.321 -1.349 1.00 0.00 N ATOM 425 CA LYS A 29 -9.279 7.995 -0.686 1.00 0.00 C ATOM 426 C LYS A 29 -7.820 7.843 -0.219 1.00 0.00 C ATOM 427 O LYS A 29 -7.309 6.746 -0.093 1.00 0.00 O ATOM 428 CB LYS A 29 -9.633 6.959 -1.771 1.00 0.00 C ATOM 429 CG LYS A 29 -8.439 6.707 -2.710 1.00 0.00 C ATOM 430 CD LYS A 29 -8.077 7.988 -3.469 1.00 0.00 C ATOM 431 CE LYS A 29 -7.066 7.671 -4.578 1.00 0.00 C ATOM 432 NZ LYS A 29 -7.910 7.302 -5.753 1.00 0.00 N ATOM 0 H LYS A 29 -8.663 9.689 -1.833 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.894 7.873 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.933 6.023 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.486 7.312 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.580 6.364 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.685 5.915 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.975 8.432 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.657 8.722 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.433 8.531 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.404 6.854 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.342 7.366 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.259 6.329 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.718 7.954 -5.818 1.00 0.00 H new ATOM 446 N SER A 30 -7.149 8.945 0.025 1.00 0.00 N ATOM 447 CA SER A 30 -5.717 8.900 0.463 1.00 0.00 C ATOM 448 C SER A 30 -5.522 7.946 1.652 1.00 0.00 C ATOM 449 O SER A 30 -4.960 6.877 1.503 1.00 0.00 O ATOM 450 CB SER A 30 -5.380 10.347 0.851 1.00 0.00 C ATOM 451 OG SER A 30 -6.326 10.831 1.795 1.00 0.00 O ATOM 0 H SER A 30 -7.538 9.884 -0.062 1.00 0.00 H new ATOM 0 HA SER A 30 -5.064 8.523 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.376 10.394 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.383 10.980 -0.036 1.00 0.00 H new ATOM 0 HG SER A 30 -5.880 10.989 2.653 1.00 0.00 H new ATOM 457 N ALA A 31 -5.972 8.319 2.825 1.00 0.00 N ATOM 458 CA ALA A 31 -5.802 7.427 4.012 1.00 0.00 C ATOM 459 C ALA A 31 -6.731 7.874 5.147 1.00 0.00 C ATOM 460 O ALA A 31 -6.286 8.284 6.203 1.00 0.00 O ATOM 461 CB ALA A 31 -4.332 7.578 4.417 1.00 0.00 C ATOM 0 H ALA A 31 -6.449 9.201 3.011 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.054 6.390 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.128 6.951 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.693 7.271 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.128 8.620 4.665 1.00 0.00 H new ATOM 467 N TYR A 32 -8.020 7.794 4.934 1.00 0.00 N ATOM 468 CA TYR A 32 -8.986 8.208 5.993 1.00 0.00 C ATOM 469 C TYR A 32 -10.314 7.466 5.789 1.00 0.00 C ATOM 470 O TYR A 32 -11.387 8.038 5.884 1.00 0.00 O ATOM 471 CB TYR A 32 -9.122 9.738 5.841 1.00 0.00 C ATOM 472 CG TYR A 32 -9.886 10.136 4.593 1.00 0.00 C ATOM 473 CD1 TYR A 32 -9.498 9.683 3.321 1.00 0.00 C ATOM 474 CD2 TYR A 32 -10.988 10.984 4.722 1.00 0.00 C ATOM 475 CE1 TYR A 32 -10.220 10.079 2.189 1.00 0.00 C ATOM 476 CE2 TYR A 32 -11.709 11.378 3.590 1.00 0.00 C ATOM 477 CZ TYR A 32 -11.325 10.926 2.325 1.00 0.00 C ATOM 478 OH TYR A 32 -12.038 11.318 1.210 1.00 0.00 O ATOM 0 H TYR A 32 -8.445 7.459 4.069 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.658 7.961 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.629 10.142 6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.129 10.186 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.644 9.030 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.284 11.337 5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.924 9.731 1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.562 12.032 3.694 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.099 10.569 0.581 1.00 0.00 H new ATOM 488 N HIS A 33 -10.226 6.180 5.500 1.00 0.00 N ATOM 489 CA HIS A 33 -11.444 5.332 5.269 1.00 0.00 C ATOM 490 C HIS A 33 -12.267 5.847 4.072 1.00 0.00 C ATOM 491 O HIS A 33 -13.379 5.408 3.852 1.00 0.00 O ATOM 492 CB HIS A 33 -12.252 5.404 6.571 1.00 0.00 C ATOM 493 CG HIS A 33 -11.508 4.689 7.668 1.00 0.00 C ATOM 494 ND1 HIS A 33 -11.767 3.370 8.003 1.00 0.00 N ATOM 495 CD2 HIS A 33 -10.505 5.099 8.512 1.00 0.00 C ATOM 496 CE1 HIS A 33 -10.937 3.036 9.009 1.00 0.00 C ATOM 497 NE2 HIS A 33 -10.146 4.054 9.357 1.00 0.00 N ATOM 0 H HIS A 33 -9.343 5.677 5.414 1.00 0.00 H new ATOM 0 HA HIS A 33 -11.173 4.305 5.024 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -12.419 6.444 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -13.233 4.951 6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.062 6.084 8.519 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.914 2.063 9.478 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.432 4.063 10.086 1.00 0.00 H new ATOM 505 N SER A 34 -11.719 6.761 3.295 1.00 0.00 N ATOM 506 CA SER A 34 -12.438 7.314 2.102 1.00 0.00 C ATOM 507 C SER A 34 -13.869 7.767 2.449 1.00 0.00 C ATOM 508 O SER A 34 -14.824 7.030 2.280 1.00 0.00 O ATOM 509 CB SER A 34 -12.464 6.173 1.083 1.00 0.00 C ATOM 510 OG SER A 34 -11.138 5.846 0.695 1.00 0.00 O ATOM 0 H SER A 34 -10.788 7.151 3.444 1.00 0.00 H new ATOM 0 HA SER A 34 -11.934 8.201 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.953 5.299 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.047 6.466 0.210 1.00 0.00 H new ATOM 0 HG SER A 34 -11.145 5.017 0.172 1.00 0.00 H new ATOM 516 N GLN A 35 -14.020 8.980 2.922 1.00 0.00 N ATOM 517 CA GLN A 35 -15.385 9.497 3.272 1.00 0.00 C ATOM 518 C GLN A 35 -15.934 10.375 2.138 1.00 0.00 C ATOM 519 O GLN A 35 -17.126 10.408 1.901 1.00 0.00 O ATOM 520 CB GLN A 35 -15.193 10.329 4.544 1.00 0.00 C ATOM 521 CG GLN A 35 -14.647 9.450 5.675 1.00 0.00 C ATOM 522 CD GLN A 35 -15.459 8.156 5.784 1.00 0.00 C ATOM 523 OE1 GLN A 35 -14.854 7.013 5.639 1.00 0.00 O flip ATOM 524 NE2 GLN A 35 -16.653 8.186 6.001 1.00 0.00 N flip ATOM 0 H GLN A 35 -13.257 9.637 3.082 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.098 8.686 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.505 11.152 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.143 10.772 4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.599 9.215 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.688 9.993 6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.128 9.081 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.181 7.316 6.070 1.00 0.00 H new ATOM 533 N VAL A 36 -15.074 11.083 1.439 1.00 0.00 N ATOM 534 CA VAL A 36 -15.527 11.964 0.311 1.00 0.00 C ATOM 535 C VAL A 36 -16.529 13.018 0.812 1.00 0.00 C ATOM 536 O VAL A 36 -17.670 13.056 0.384 1.00 0.00 O ATOM 537 CB VAL A 36 -16.180 11.018 -0.712 1.00 0.00 C ATOM 538 CG1 VAL A 36 -16.537 11.751 -2.012 1.00 0.00 C ATOM 539 CG2 VAL A 36 -15.343 9.785 -1.068 1.00 0.00 C ATOM 0 H VAL A 36 -14.067 11.088 1.604 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.698 12.517 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.080 10.667 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.996 11.051 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.237 12.558 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.632 12.166 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.882 9.177 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.391 10.102 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.159 9.198 -0.168 1.00 0.00 H new ATOM 549 N ALA A 37 -16.101 13.878 1.714 1.00 0.00 N ATOM 550 CA ALA A 37 -17.007 14.946 2.258 1.00 0.00 C ATOM 551 C ALA A 37 -18.363 14.351 2.662 1.00 0.00 C ATOM 552 O ALA A 37 -19.388 14.644 2.071 1.00 0.00 O ATOM 553 CB ALA A 37 -17.169 15.953 1.115 1.00 0.00 C ATOM 0 H ALA A 37 -15.156 13.884 2.098 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.598 15.414 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.820 16.766 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.193 16.355 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.610 15.455 0.251 1.00 0.00 H new ATOM 559 N PHE A 38 -18.368 13.497 3.654 1.00 0.00 N ATOM 560 CA PHE A 38 -19.648 12.854 4.088 1.00 0.00 C ATOM 561 C PHE A 38 -20.367 13.664 5.196 1.00 0.00 C ATOM 562 O PHE A 38 -20.449 14.875 5.120 1.00 0.00 O ATOM 563 CB PHE A 38 -19.253 11.428 4.529 1.00 0.00 C ATOM 564 CG PHE A 38 -18.550 11.367 5.873 1.00 0.00 C ATOM 565 CD1 PHE A 38 -17.826 12.457 6.378 1.00 0.00 C ATOM 566 CD2 PHE A 38 -18.619 10.181 6.613 1.00 0.00 C ATOM 567 CE1 PHE A 38 -17.181 12.354 7.613 1.00 0.00 C ATOM 568 CE2 PHE A 38 -17.974 10.081 7.845 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.255 11.166 8.343 1.00 0.00 C ATOM 0 H PHE A 38 -17.542 13.217 4.183 1.00 0.00 H new ATOM 0 HA PHE A 38 -20.381 12.821 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -20.151 10.811 4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -18.603 10.992 3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.767 13.375 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -19.175 9.339 6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.625 13.194 8.003 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.031 9.164 8.413 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.754 11.088 9.296 1.00 0.00 H new ATOM 579 N ILE A 39 -20.940 13.006 6.184 1.00 0.00 N ATOM 580 CA ILE A 39 -21.714 13.735 7.254 1.00 0.00 C ATOM 581 C ILE A 39 -20.867 14.753 8.045 1.00 0.00 C ATOM 582 O ILE A 39 -21.349 15.818 8.382 1.00 0.00 O ATOM 583 CB ILE A 39 -22.254 12.641 8.198 1.00 0.00 C ATOM 584 CG1 ILE A 39 -21.117 11.741 8.701 1.00 0.00 C ATOM 585 CG2 ILE A 39 -23.277 11.779 7.457 1.00 0.00 C ATOM 586 CD1 ILE A 39 -21.433 11.273 10.123 1.00 0.00 C ATOM 0 H ILE A 39 -20.906 11.993 6.297 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.505 14.326 6.793 1.00 0.00 H new ATOM 0 HB ILE A 39 -22.723 13.131 9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -20.999 10.882 8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.173 12.286 8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -23.656 11.007 8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.103 12.404 7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -22.802 11.310 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.627 10.633 10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -21.529 12.139 10.778 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -22.368 10.713 10.122 1.00 0.00 H new ATOM 598 N THR A 40 -19.633 14.447 8.360 1.00 0.00 N ATOM 599 CA THR A 40 -18.799 15.412 9.145 1.00 0.00 C ATOM 600 C THR A 40 -17.660 15.963 8.281 1.00 0.00 C ATOM 601 O THR A 40 -17.135 15.280 7.421 1.00 0.00 O ATOM 602 CB THR A 40 -18.247 14.586 10.316 1.00 0.00 C ATOM 603 OG1 THR A 40 -19.325 13.961 11.003 1.00 0.00 O ATOM 604 CG2 THR A 40 -17.476 15.484 11.291 1.00 0.00 C ATOM 0 H THR A 40 -19.167 13.575 8.109 1.00 0.00 H new ATOM 0 HA THR A 40 -19.371 16.274 9.486 1.00 0.00 H new ATOM 0 HB THR A 40 -17.568 13.830 9.922 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.978 13.243 11.572 1.00 0.00 H new ATOM 0 HG21 THR A 40 -17.092 14.882 12.114 1.00 0.00 H new ATOM 0 HG22 THR A 40 -16.644 15.958 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.143 16.252 11.683 1.00 0.00 H new ATOM 612 N LYS A 41 -17.276 17.196 8.501 1.00 0.00 N ATOM 613 CA LYS A 41 -16.169 17.796 7.692 1.00 0.00 C ATOM 614 C LYS A 41 -14.804 17.245 8.119 1.00 0.00 C ATOM 615 O LYS A 41 -13.803 17.500 7.477 1.00 0.00 O ATOM 616 CB LYS A 41 -16.269 19.303 7.926 1.00 0.00 C ATOM 617 CG LYS A 41 -17.560 19.822 7.281 1.00 0.00 C ATOM 618 CD LYS A 41 -17.591 19.448 5.790 1.00 0.00 C ATOM 619 CE LYS A 41 -18.288 18.090 5.606 1.00 0.00 C ATOM 620 NZ LYS A 41 -17.530 17.418 4.509 1.00 0.00 N ATOM 0 H LYS A 41 -17.681 17.813 9.205 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.262 17.550 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.268 19.519 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.404 19.809 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.426 19.397 7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.623 20.904 7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.118 20.217 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.576 19.402 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.259 17.503 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.338 18.217 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.198 17.023 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.913 18.111 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.950 16.652 4.907 1.00 0.00 H new ATOM 634 N GLY A 42 -14.755 16.467 9.176 1.00 0.00 N ATOM 635 CA GLY A 42 -13.461 15.877 9.611 1.00 0.00 C ATOM 636 C GLY A 42 -13.101 14.700 8.690 1.00 0.00 C ATOM 637 O GLY A 42 -12.043 14.130 8.810 1.00 0.00 O ATOM 0 H GLY A 42 -15.559 16.219 9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.675 16.632 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.533 15.536 10.644 1.00 0.00 H new ATOM 641 N LEU A 43 -13.972 14.336 7.766 1.00 0.00 N ATOM 642 CA LEU A 43 -13.682 13.202 6.827 1.00 0.00 C ATOM 643 C LEU A 43 -13.545 11.876 7.590 1.00 0.00 C ATOM 644 O LEU A 43 -12.742 11.030 7.245 1.00 0.00 O ATOM 645 CB LEU A 43 -12.367 13.564 6.130 1.00 0.00 C ATOM 646 CG LEU A 43 -12.456 14.966 5.523 1.00 0.00 C ATOM 647 CD1 LEU A 43 -11.093 15.146 4.855 1.00 0.00 C ATOM 648 CD2 LEU A 43 -13.656 15.113 4.584 1.00 0.00 C ATOM 0 H LEU A 43 -14.878 14.783 7.625 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.492 13.064 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.545 13.521 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.149 12.835 5.349 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.642 15.752 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.046 16.127 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.307 15.066 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.953 14.373 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.678 16.124 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.570 14.395 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.576 14.924 5.137 1.00 0.00 H new ATOM 660 N GLY A 44 -14.335 11.691 8.616 1.00 0.00 N ATOM 661 CA GLY A 44 -14.277 10.420 9.408 1.00 0.00 C ATOM 662 C GLY A 44 -12.867 10.179 9.954 1.00 0.00 C ATOM 663 O GLY A 44 -12.457 9.052 10.152 1.00 0.00 O ATOM 0 H GLY A 44 -15.023 12.369 8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.987 10.469 10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.576 9.581 8.779 1.00 0.00 H new ATOM 667 N ILE A 45 -12.121 11.225 10.197 1.00 0.00 N ATOM 668 CA ILE A 45 -10.733 11.041 10.728 1.00 0.00 C ATOM 669 C ILE A 45 -10.764 10.576 12.194 1.00 0.00 C ATOM 670 O ILE A 45 -10.106 9.615 12.545 1.00 0.00 O ATOM 671 CB ILE A 45 -10.028 12.402 10.593 1.00 0.00 C ATOM 672 CG1 ILE A 45 -10.854 13.506 11.272 1.00 0.00 C ATOM 673 CG2 ILE A 45 -9.820 12.719 9.106 1.00 0.00 C ATOM 674 CD1 ILE A 45 -10.205 14.873 11.036 1.00 0.00 C ATOM 0 H ILE A 45 -12.408 12.193 10.053 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.199 10.271 10.171 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.058 12.356 11.089 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.870 13.505 10.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.927 13.310 12.342 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.321 13.683 9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.205 11.943 8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.786 12.757 8.603 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.799 15.647 11.522 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.198 14.874 11.452 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.155 15.072 9.966 1.00 0.00 H new ATOM 686 N SER A 46 -11.514 11.238 13.054 1.00 0.00 N ATOM 687 CA SER A 46 -11.559 10.805 14.492 1.00 0.00 C ATOM 688 C SER A 46 -12.560 11.633 15.328 1.00 0.00 C ATOM 689 O SER A 46 -12.431 11.708 16.538 1.00 0.00 O ATOM 690 CB SER A 46 -10.135 11.025 15.014 1.00 0.00 C ATOM 691 OG SER A 46 -9.672 9.841 15.648 1.00 0.00 O ATOM 0 H SER A 46 -12.089 12.049 12.824 1.00 0.00 H new ATOM 0 HA SER A 46 -11.892 9.770 14.573 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.472 11.292 14.191 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.119 11.857 15.718 1.00 0.00 H new ATOM 0 HG SER A 46 -8.761 9.982 15.980 1.00 0.00 H new ATOM 697 N TYR A 47 -13.555 12.244 14.723 1.00 0.00 N ATOM 698 CA TYR A 47 -14.538 13.042 15.531 1.00 0.00 C ATOM 699 C TYR A 47 -15.559 12.114 16.214 1.00 0.00 C ATOM 700 O TYR A 47 -16.070 12.423 17.274 1.00 0.00 O ATOM 701 CB TYR A 47 -15.235 13.981 14.534 1.00 0.00 C ATOM 702 CG TYR A 47 -16.080 13.186 13.566 1.00 0.00 C ATOM 703 CD1 TYR A 47 -17.368 12.772 13.928 1.00 0.00 C ATOM 704 CD2 TYR A 47 -15.569 12.862 12.309 1.00 0.00 C ATOM 705 CE1 TYR A 47 -18.140 12.033 13.030 1.00 0.00 C ATOM 706 CE2 TYR A 47 -16.338 12.128 11.413 1.00 0.00 C ATOM 707 CZ TYR A 47 -17.626 11.710 11.772 1.00 0.00 C ATOM 708 OH TYR A 47 -18.391 10.981 10.888 1.00 0.00 O ATOM 0 H TYR A 47 -13.728 12.226 13.718 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.044 13.601 16.325 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -15.860 14.694 15.072 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.490 14.559 13.987 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -17.763 13.024 14.901 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -14.575 13.182 12.032 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -19.133 11.712 13.307 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -15.942 11.880 10.439 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.334 11.384 9.996 1.00 0.00 H new ATOM 718 N GLY A 48 -15.866 10.990 15.608 1.00 0.00 N ATOM 719 CA GLY A 48 -16.859 10.051 16.210 1.00 0.00 C ATOM 720 C GLY A 48 -17.787 9.529 15.114 1.00 0.00 C ATOM 721 O GLY A 48 -18.977 9.779 15.129 1.00 0.00 O ATOM 0 H GLY A 48 -15.468 10.685 14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -16.345 9.220 16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.438 10.560 16.981 1.00 0.00 H new ATOM 725 N ARG A 49 -17.252 8.801 14.165 1.00 0.00 N ATOM 726 CA ARG A 49 -18.101 8.256 13.071 1.00 0.00 C ATOM 727 C ARG A 49 -19.021 7.168 13.628 1.00 0.00 C ATOM 728 O ARG A 49 -18.584 6.223 14.258 1.00 0.00 O ATOM 729 CB ARG A 49 -17.122 7.682 12.051 1.00 0.00 C ATOM 730 CG ARG A 49 -17.900 7.076 10.879 1.00 0.00 C ATOM 731 CD ARG A 49 -16.948 6.287 9.977 1.00 0.00 C ATOM 732 NE ARG A 49 -15.861 7.255 9.654 1.00 0.00 N ATOM 733 CZ ARG A 49 -14.607 6.893 9.752 1.00 0.00 C ATOM 734 NH1 ARG A 49 -14.173 6.312 10.843 1.00 0.00 N ATOM 735 NH2 ARG A 49 -13.785 7.115 8.762 1.00 0.00 N ATOM 0 H ARG A 49 -16.262 8.563 14.104 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.742 9.013 12.619 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.454 8.465 11.692 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.498 6.921 12.519 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.687 6.421 11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.387 7.866 10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.558 5.405 10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.451 5.938 9.075 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.095 8.202 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.813 6.141 11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.195 6.031 10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.120 7.570 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.808 6.833 8.838 1.00 0.00 H new ATOM 749 N LYS A 50 -20.293 7.322 13.406 1.00 0.00 N ATOM 750 CA LYS A 50 -21.296 6.335 13.920 1.00 0.00 C ATOM 751 C LYS A 50 -21.035 4.922 13.375 1.00 0.00 C ATOM 752 O LYS A 50 -21.201 3.950 14.087 1.00 0.00 O ATOM 753 CB LYS A 50 -22.671 6.860 13.469 1.00 0.00 C ATOM 754 CG LYS A 50 -22.646 7.329 11.999 1.00 0.00 C ATOM 755 CD LYS A 50 -22.627 8.869 11.912 1.00 0.00 C ATOM 756 CE LYS A 50 -23.440 9.490 13.054 1.00 0.00 C ATOM 757 NZ LYS A 50 -23.591 10.924 12.666 1.00 0.00 N ATOM 0 H LYS A 50 -20.693 8.101 12.882 1.00 0.00 H new ATOM 0 HA LYS A 50 -21.237 6.247 15.005 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -23.418 6.075 13.588 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -22.973 7.688 14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -21.768 6.922 11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.520 6.942 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.598 9.227 11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -23.036 9.188 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -24.409 9.003 13.162 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.925 9.389 14.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -24.137 11.425 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.651 11.360 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -24.090 10.987 11.756 1.00 0.00 H new ATOM 771 N LYS A 51 -20.628 4.796 12.131 1.00 0.00 N ATOM 772 CA LYS A 51 -20.359 3.435 11.551 1.00 0.00 C ATOM 773 C LYS A 51 -19.968 3.547 10.063 1.00 0.00 C ATOM 774 O LYS A 51 -18.908 4.049 9.740 1.00 0.00 O ATOM 775 CB LYS A 51 -21.663 2.633 11.726 1.00 0.00 C ATOM 776 CG LYS A 51 -22.880 3.511 11.418 1.00 0.00 C ATOM 777 CD LYS A 51 -24.132 2.640 11.377 1.00 0.00 C ATOM 778 CE LYS A 51 -25.201 3.337 10.533 1.00 0.00 C ATOM 779 NZ LYS A 51 -26.494 2.889 11.127 1.00 0.00 N ATOM 0 H LYS A 51 -20.470 5.575 11.492 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.527 2.942 12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.655 1.767 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.730 2.254 12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.986 4.285 12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.745 4.018 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.897 1.663 10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.504 2.468 12.387 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.098 4.421 10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.126 3.053 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.284 3.322 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.564 1.853 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.537 3.179 12.125 1.00 0.00 H new ATOM 793 N ARG A 52 -20.802 3.082 9.157 1.00 0.00 N ATOM 794 CA ARG A 52 -20.464 3.162 7.704 1.00 0.00 C ATOM 795 C ARG A 52 -20.928 4.482 7.102 1.00 0.00 C ATOM 796 O ARG A 52 -20.416 4.910 6.084 1.00 0.00 O ATOM 797 CB ARG A 52 -21.210 1.998 7.051 1.00 0.00 C ATOM 798 CG ARG A 52 -20.376 0.718 7.157 1.00 0.00 C ATOM 799 CD ARG A 52 -20.828 -0.095 8.375 1.00 0.00 C ATOM 800 NE ARG A 52 -22.252 -0.442 8.089 1.00 0.00 N ATOM 801 CZ ARG A 52 -22.911 -1.224 8.900 1.00 0.00 C ATOM 802 NH1 ARG A 52 -22.551 -2.475 9.041 1.00 0.00 N ATOM 803 NH2 ARG A 52 -23.930 -0.756 9.573 1.00 0.00 N ATOM 0 H ARG A 52 -21.702 2.651 9.367 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.387 3.107 7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -22.175 1.855 7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -21.411 2.225 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.487 0.124 6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.319 0.968 7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.220 -0.990 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.738 0.484 9.294 1.00 0.00 H new ATOM 0 HE ARG A 52 -22.710 -0.067 7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -21.755 -2.839 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -23.066 -3.086 9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -24.209 0.219 9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -24.446 -1.366 10.207 1.00 0.00 H new ATOM 817 N ARG A 53 -21.911 5.112 7.702 1.00 0.00 N ATOM 818 CA ARG A 53 -22.445 6.397 7.160 1.00 0.00 C ATOM 819 C ARG A 53 -23.134 6.171 5.802 1.00 0.00 C ATOM 820 O ARG A 53 -23.727 7.083 5.261 1.00 0.00 O ATOM 821 CB ARG A 53 -21.238 7.339 7.029 1.00 0.00 C ATOM 822 CG ARG A 53 -21.697 8.706 6.512 1.00 0.00 C ATOM 823 CD ARG A 53 -21.436 8.803 5.004 1.00 0.00 C ATOM 824 NE ARG A 53 -22.372 9.868 4.537 1.00 0.00 N ATOM 825 CZ ARG A 53 -23.533 9.543 4.027 1.00 0.00 C ATOM 826 NH1 ARG A 53 -23.595 8.874 2.905 1.00 0.00 N ATOM 827 NH2 ARG A 53 -24.633 9.882 4.647 1.00 0.00 N ATOM 0 H ARG A 53 -22.369 4.785 8.553 1.00 0.00 H new ATOM 0 HA ARG A 53 -23.201 6.826 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -20.747 7.452 7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -20.504 6.910 6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -22.759 8.845 6.717 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -21.165 9.501 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -20.399 9.065 4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -21.631 7.854 4.504 1.00 0.00 H new ATOM 0 HE ARG A 53 -22.107 10.850 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -22.737 8.604 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -24.501 8.622 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -24.585 10.398 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -25.539 9.630 4.252 1.00 0.00 H new ATOM 841 N GLN A 54 -23.106 4.968 5.252 1.00 0.00 N ATOM 842 CA GLN A 54 -23.803 4.744 3.957 1.00 0.00 C ATOM 843 C GLN A 54 -25.278 5.089 4.157 1.00 0.00 C ATOM 844 O GLN A 54 -25.843 5.864 3.412 1.00 0.00 O ATOM 845 CB GLN A 54 -23.605 3.255 3.608 1.00 0.00 C ATOM 846 CG GLN A 54 -24.148 2.353 4.726 1.00 0.00 C ATOM 847 CD GLN A 54 -23.511 0.962 4.655 1.00 0.00 C ATOM 848 OE1 GLN A 54 -22.498 0.768 4.008 1.00 0.00 O ATOM 849 NE2 GLN A 54 -24.067 -0.024 5.304 1.00 0.00 N ATOM 0 H GLN A 54 -22.636 4.153 5.645 1.00 0.00 H new ATOM 0 HA GLN A 54 -23.417 5.361 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -24.114 3.026 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -22.545 3.051 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -23.942 2.804 5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -25.231 2.268 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -24.916 0.137 5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -23.653 -0.956 5.269 1.00 0.00 H new ATOM 858 N ARG A 55 -25.881 4.552 5.201 1.00 0.00 N ATOM 859 CA ARG A 55 -27.308 4.859 5.519 1.00 0.00 C ATOM 860 C ARG A 55 -28.172 4.840 4.241 1.00 0.00 C ATOM 861 O ARG A 55 -29.162 5.537 4.130 1.00 0.00 O ATOM 862 CB ARG A 55 -27.248 6.250 6.168 1.00 0.00 C ATOM 863 CG ARG A 55 -26.104 6.285 7.208 1.00 0.00 C ATOM 864 CD ARG A 55 -25.820 7.736 7.605 1.00 0.00 C ATOM 865 NE ARG A 55 -25.209 7.638 8.963 1.00 0.00 N ATOM 866 CZ ARG A 55 -25.510 8.519 9.881 1.00 0.00 C ATOM 867 NH1 ARG A 55 -25.308 9.793 9.657 1.00 0.00 N ATOM 868 NH2 ARG A 55 -26.013 8.127 11.023 1.00 0.00 N ATOM 0 H ARG A 55 -25.432 3.906 5.850 1.00 0.00 H new ATOM 0 HA ARG A 55 -27.771 4.125 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -27.084 7.012 5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -28.199 6.480 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -26.380 5.703 8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -25.206 5.828 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -25.143 8.216 6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -26.734 8.329 7.623 1.00 0.00 H new ATOM 0 HE ARG A 55 -24.556 6.883 9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -24.916 10.098 8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -25.543 10.480 10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -26.170 7.134 11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -26.248 8.814 11.739 1.00 0.00 H new ATOM 882 N ARG A 56 -27.782 4.026 3.285 1.00 0.00 N ATOM 883 CA ARG A 56 -28.528 3.900 1.992 1.00 0.00 C ATOM 884 C ARG A 56 -27.909 2.756 1.168 1.00 0.00 C ATOM 885 O ARG A 56 -27.808 2.826 -0.042 1.00 0.00 O ATOM 886 CB ARG A 56 -28.346 5.246 1.277 1.00 0.00 C ATOM 887 CG ARG A 56 -26.914 5.369 0.746 1.00 0.00 C ATOM 888 CD ARG A 56 -26.512 6.842 0.699 1.00 0.00 C ATOM 889 NE ARG A 56 -26.776 7.251 -0.713 1.00 0.00 N ATOM 890 CZ ARG A 56 -26.591 8.492 -1.083 1.00 0.00 C ATOM 891 NH1 ARG A 56 -25.456 9.092 -0.826 1.00 0.00 N ATOM 892 NH2 ARG A 56 -27.541 9.129 -1.718 1.00 0.00 N ATOM 0 H ARG A 56 -26.957 3.430 3.351 1.00 0.00 H new ATOM 0 HA ARG A 56 -29.585 3.674 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -29.056 5.329 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -28.559 6.064 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -26.228 4.814 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -26.845 4.930 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -27.096 7.437 1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -25.463 6.977 0.963 1.00 0.00 H new ATOM 0 HE ARG A 56 -27.101 6.561 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -24.714 8.592 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -25.314 10.060 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -28.422 8.658 -1.923 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -27.401 10.097 -2.008 1.00 0.00 H new ATOM 906 N ARG A 57 -27.486 1.708 1.836 1.00 0.00 N ATOM 907 CA ARG A 57 -26.854 0.546 1.137 1.00 0.00 C ATOM 908 C ARG A 57 -27.734 0.018 -0.019 1.00 0.00 C ATOM 909 O ARG A 57 -27.216 -0.276 -1.078 1.00 0.00 O ATOM 910 CB ARG A 57 -26.677 -0.508 2.237 1.00 0.00 C ATOM 911 CG ARG A 57 -26.114 -1.802 1.644 1.00 0.00 C ATOM 912 CD ARG A 57 -24.594 -1.687 1.519 1.00 0.00 C ATOM 913 NE ARG A 57 -24.140 -3.095 1.355 1.00 0.00 N ATOM 914 CZ ARG A 57 -23.633 -3.743 2.370 1.00 0.00 C ATOM 915 NH1 ARG A 57 -22.405 -3.506 2.752 1.00 0.00 N ATOM 916 NH2 ARG A 57 -24.357 -4.629 3.005 1.00 0.00 N ATOM 0 H ARG A 57 -27.554 1.609 2.849 1.00 0.00 H new ATOM 0 HA ARG A 57 -25.909 0.818 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -26.005 -0.130 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -27.635 -0.706 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -26.374 -2.649 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -26.557 -1.989 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.309 -1.073 0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -24.154 -1.226 2.403 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.225 -3.555 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.842 -2.814 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.011 -4.013 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.315 -4.813 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -23.963 -5.136 3.798 1.00 0.00 H new ATOM 930 N PRO A 58 -29.032 -0.087 0.205 1.00 0.00 N ATOM 931 CA PRO A 58 -29.940 -0.584 -0.866 1.00 0.00 C ATOM 932 C PRO A 58 -30.027 0.407 -2.043 1.00 0.00 C ATOM 933 O PRO A 58 -30.423 0.038 -3.133 1.00 0.00 O ATOM 934 CB PRO A 58 -31.289 -0.721 -0.163 1.00 0.00 C ATOM 935 CG PRO A 58 -31.207 0.235 0.983 1.00 0.00 C ATOM 936 CD PRO A 58 -29.772 0.237 1.438 1.00 0.00 C ATOM 0 HA PRO A 58 -29.592 -1.519 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.113 -0.471 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -31.456 -1.742 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -31.518 1.234 0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -31.870 -0.072 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -29.478 1.206 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -29.596 -0.501 2.220 1.00 0.00 H new ATOM 944 N SER A 59 -29.666 1.655 -1.839 1.00 0.00 N ATOM 945 CA SER A 59 -29.735 2.650 -2.956 1.00 0.00 C ATOM 946 C SER A 59 -28.501 2.526 -3.862 1.00 0.00 C ATOM 947 O SER A 59 -27.380 2.685 -3.420 1.00 0.00 O ATOM 948 CB SER A 59 -29.765 4.021 -2.274 1.00 0.00 C ATOM 949 OG SER A 59 -30.925 4.126 -1.460 1.00 0.00 O ATOM 0 H SER A 59 -29.328 2.024 -0.950 1.00 0.00 H new ATOM 0 HA SER A 59 -30.608 2.492 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 59 -28.870 4.156 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 59 -29.763 4.811 -3.025 1.00 0.00 H new ATOM 0 HG SER A 59 -30.940 5.003 -1.024 1.00 0.00 H new ATOM 955 N GLN A 60 -28.710 2.249 -5.130 1.00 0.00 N ATOM 956 CA GLN A 60 -27.568 2.114 -6.088 1.00 0.00 C ATOM 957 C GLN A 60 -27.999 2.538 -7.496 1.00 0.00 C ATOM 958 O GLN A 60 -27.517 2.021 -8.487 1.00 0.00 O ATOM 959 CB GLN A 60 -27.197 0.634 -6.072 1.00 0.00 C ATOM 960 CG GLN A 60 -26.067 0.422 -5.074 1.00 0.00 C ATOM 961 CD GLN A 60 -25.947 -1.068 -4.741 1.00 0.00 C ATOM 962 OE1 GLN A 60 -25.442 -1.842 -5.530 1.00 0.00 O ATOM 963 NE2 GLN A 60 -26.394 -1.508 -3.594 1.00 0.00 N ATOM 0 H GLN A 60 -29.632 2.110 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 60 -26.727 2.747 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -28.062 0.031 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.888 0.312 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -25.128 0.789 -5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.259 0.993 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -26.818 -0.861 -2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -26.318 -2.499 -3.363 1.00 0.00 H new ATOM 972 N GLY A 61 -28.897 3.481 -7.586 1.00 0.00 N ATOM 973 CA GLY A 61 -29.365 3.957 -8.923 1.00 0.00 C ATOM 974 C GLY A 61 -28.305 4.887 -9.507 1.00 0.00 C ATOM 975 O GLY A 61 -28.364 6.092 -9.339 1.00 0.00 O ATOM 0 H GLY A 61 -29.330 3.946 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.533 3.110 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.316 4.481 -8.827 1.00 0.00 H new ATOM 979 N GLY A 62 -27.319 4.330 -10.167 1.00 0.00 N ATOM 980 CA GLY A 62 -26.224 5.167 -10.737 1.00 0.00 C ATOM 981 C GLY A 62 -25.488 5.850 -9.578 1.00 0.00 C ATOM 982 O GLY A 62 -24.958 6.935 -9.722 1.00 0.00 O ATOM 0 H GLY A 62 -27.228 3.328 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -25.535 4.550 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -26.632 5.912 -11.420 1.00 0.00 H new ATOM 986 N GLN A 63 -25.472 5.222 -8.421 1.00 0.00 N ATOM 987 CA GLN A 63 -24.797 5.828 -7.241 1.00 0.00 C ATOM 988 C GLN A 63 -23.288 5.623 -7.294 1.00 0.00 C ATOM 989 O GLN A 63 -22.535 6.461 -6.838 1.00 0.00 O ATOM 990 CB GLN A 63 -25.360 5.084 -6.031 1.00 0.00 C ATOM 991 CG GLN A 63 -26.841 5.408 -5.844 1.00 0.00 C ATOM 992 CD GLN A 63 -27.034 6.301 -4.613 1.00 0.00 C ATOM 993 OE1 GLN A 63 -26.085 7.123 -4.251 1.00 0.00 O flip ATOM 994 NE2 GLN A 63 -28.063 6.248 -3.969 1.00 0.00 N flip ATOM 0 H GLN A 63 -25.901 4.313 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 63 -24.973 6.903 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.231 4.010 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -24.805 5.362 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.226 5.911 -6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -27.411 4.486 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.807 5.608 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -28.183 6.844 -3.150 1.00 0.00 H new ATOM 1003 N THR A 64 -22.836 4.492 -7.796 1.00 0.00 N ATOM 1004 CA THR A 64 -21.365 4.219 -7.806 1.00 0.00 C ATOM 1005 C THR A 64 -20.836 4.510 -6.398 1.00 0.00 C ATOM 1006 O THR A 64 -19.935 5.304 -6.190 1.00 0.00 O ATOM 1007 CB THR A 64 -20.771 5.171 -8.838 1.00 0.00 C ATOM 1008 OG1 THR A 64 -21.224 4.800 -10.136 1.00 0.00 O ATOM 1009 CG2 THR A 64 -19.242 5.110 -8.796 1.00 0.00 C ATOM 0 H THR A 64 -23.419 3.756 -8.194 1.00 0.00 H new ATOM 0 HA THR A 64 -21.109 3.191 -8.063 1.00 0.00 H new ATOM 0 HB THR A 64 -21.091 6.188 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.875 5.459 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 64 -18.830 5.794 -9.538 1.00 0.00 H new ATOM 0 HG22 THR A 64 -18.894 5.397 -7.804 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.912 4.095 -9.016 1.00 0.00 H new ATOM 1017 N HIS A 65 -21.440 3.883 -5.429 1.00 0.00 N ATOM 1018 CA HIS A 65 -21.052 4.103 -4.006 1.00 0.00 C ATOM 1019 C HIS A 65 -19.622 3.601 -3.755 1.00 0.00 C ATOM 1020 O HIS A 65 -18.974 3.067 -4.637 1.00 0.00 O ATOM 1021 CB HIS A 65 -22.062 3.274 -3.209 1.00 0.00 C ATOM 1022 CG HIS A 65 -23.232 4.117 -2.774 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -23.318 5.263 -2.025 1.00 0.00 N flip ATOM 1024 CD2 HIS A 65 -24.535 3.781 -3.100 1.00 0.00 C flip ATOM 1025 CE1 HIS A 65 -24.651 5.633 -1.886 1.00 0.00 C flip ATOM 1026 NE2 HIS A 65 -25.341 4.706 -2.552 1.00 0.00 N flip ATOM 0 H HIS A 65 -22.199 3.216 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 65 -21.063 5.156 -3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -22.416 2.442 -3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -21.574 2.844 -2.334 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -24.847 2.930 -3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -25.043 6.487 -1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -26.358 4.700 -2.635 1.00 0.00 H new ATOM 1034 N GLN A 66 -19.117 3.798 -2.565 1.00 0.00 N ATOM 1035 CA GLN A 66 -17.726 3.362 -2.257 1.00 0.00 C ATOM 1036 C GLN A 66 -17.703 2.467 -1.018 1.00 0.00 C ATOM 1037 O GLN A 66 -17.192 1.366 -1.048 1.00 0.00 O ATOM 1038 CB GLN A 66 -16.956 4.658 -1.997 1.00 0.00 C ATOM 1039 CG GLN A 66 -16.829 5.456 -3.298 1.00 0.00 C ATOM 1040 CD GLN A 66 -17.621 6.767 -3.187 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -18.917 6.756 -3.360 1.00 0.00 O flip ATOM 1042 NE2 GLN A 66 -17.053 7.812 -2.939 1.00 0.00 N flip ATOM 0 H GLN A 66 -19.611 4.244 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.290 2.780 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -17.472 5.253 -1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -15.966 4.431 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -15.780 5.671 -3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -17.202 4.865 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -16.042 7.823 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -17.587 8.678 -2.866 1.00 0.00 H new ATOM 1051 N ASP A 67 -18.244 2.941 0.071 1.00 0.00 N ATOM 1052 CA ASP A 67 -18.252 2.134 1.327 1.00 0.00 C ATOM 1053 C ASP A 67 -19.374 1.069 1.326 1.00 0.00 C ATOM 1054 O ASP A 67 -19.143 -0.046 1.753 1.00 0.00 O ATOM 1055 CB ASP A 67 -18.476 3.162 2.444 1.00 0.00 C ATOM 1056 CG ASP A 67 -18.715 2.451 3.781 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -17.742 2.134 4.445 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -19.869 2.240 4.118 1.00 0.00 O ATOM 0 H ASP A 67 -18.684 3.858 0.146 1.00 0.00 H new ATOM 0 HA ASP A 67 -17.324 1.575 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.609 3.818 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -19.332 3.792 2.201 1.00 0.00 H new ATOM 1063 N PRO A 68 -20.561 1.442 0.882 1.00 0.00 N ATOM 1064 CA PRO A 68 -21.701 0.487 0.883 1.00 0.00 C ATOM 1065 C PRO A 68 -21.627 -0.569 -0.243 1.00 0.00 C ATOM 1066 O PRO A 68 -21.991 -1.706 -0.022 1.00 0.00 O ATOM 1067 CB PRO A 68 -22.924 1.382 0.715 1.00 0.00 C ATOM 1068 CG PRO A 68 -22.420 2.615 0.036 1.00 0.00 C ATOM 1069 CD PRO A 68 -20.952 2.761 0.358 1.00 0.00 C ATOM 0 HA PRO A 68 -21.714 -0.107 1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -23.692 0.890 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -23.373 1.620 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.568 2.544 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.973 3.490 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.375 3.024 -0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -20.782 3.547 1.094 1.00 0.00 H new ATOM 1077 N ILE A 69 -21.189 -0.230 -1.442 1.00 0.00 N ATOM 1078 CA ILE A 69 -21.156 -1.279 -2.527 1.00 0.00 C ATOM 1079 C ILE A 69 -19.758 -1.384 -3.201 1.00 0.00 C ATOM 1080 O ILE A 69 -19.651 -1.486 -4.408 1.00 0.00 O ATOM 1081 CB ILE A 69 -22.304 -0.893 -3.521 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -21.800 -0.144 -4.771 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -23.349 -0.015 -2.817 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -20.802 0.950 -4.397 1.00 0.00 C ATOM 0 H ILE A 69 -20.862 0.698 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.321 -2.280 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.744 -1.835 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -21.330 -0.850 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -22.645 0.297 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -24.140 0.245 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -23.777 -0.561 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.873 0.896 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -20.465 1.460 -5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -21.282 1.668 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.946 0.504 -3.891 1.00 0.00 H new ATOM 1096 N PRO A 70 -18.719 -1.401 -2.388 1.00 0.00 N ATOM 1097 CA PRO A 70 -17.326 -1.517 -2.919 1.00 0.00 C ATOM 1098 C PRO A 70 -17.098 -2.867 -3.620 1.00 0.00 C ATOM 1099 O PRO A 70 -16.106 -3.058 -4.297 1.00 0.00 O ATOM 1100 CB PRO A 70 -16.456 -1.408 -1.669 1.00 0.00 C ATOM 1101 CG PRO A 70 -17.358 -1.836 -0.557 1.00 0.00 C ATOM 1102 CD PRO A 70 -18.729 -1.333 -0.919 1.00 0.00 C ATOM 0 HA PRO A 70 -17.103 -0.757 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.577 -2.049 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.097 -0.390 -1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.356 -2.921 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.028 -1.420 0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.515 -1.954 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -18.895 -0.317 -0.561 1.00 0.00 H new ATOM 1110 N LYS A 71 -18.004 -3.797 -3.457 1.00 0.00 N ATOM 1111 CA LYS A 71 -17.851 -5.138 -4.104 1.00 0.00 C ATOM 1112 C LYS A 71 -17.812 -5.018 -5.636 1.00 0.00 C ATOM 1113 O LYS A 71 -17.170 -5.810 -6.302 1.00 0.00 O ATOM 1114 CB LYS A 71 -19.073 -5.962 -3.656 1.00 0.00 C ATOM 1115 CG LYS A 71 -20.372 -5.161 -3.839 1.00 0.00 C ATOM 1116 CD LYS A 71 -21.215 -5.227 -2.560 1.00 0.00 C ATOM 1117 CE LYS A 71 -20.450 -4.596 -1.390 1.00 0.00 C ATOM 1118 NZ LYS A 71 -21.426 -4.608 -0.262 1.00 0.00 N ATOM 0 H LYS A 71 -18.851 -3.685 -2.899 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.914 -5.611 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.126 -6.885 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.961 -6.247 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.138 -4.123 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.940 -5.561 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -22.160 -4.704 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -21.458 -6.264 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.554 -5.167 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.128 -3.582 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.739 -3.636 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -22.248 -5.191 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.972 -5.005 0.585 1.00 0.00 H new ATOM 1132 N GLN A 72 -18.497 -4.050 -6.207 1.00 0.00 N ATOM 1133 CA GLN A 72 -18.495 -3.911 -7.700 1.00 0.00 C ATOM 1134 C GLN A 72 -18.992 -2.520 -8.115 1.00 0.00 C ATOM 1135 O GLN A 72 -19.366 -1.725 -7.273 1.00 0.00 O ATOM 1136 CB GLN A 72 -19.447 -5.007 -8.230 1.00 0.00 C ATOM 1137 CG GLN A 72 -20.481 -5.426 -7.171 1.00 0.00 C ATOM 1138 CD GLN A 72 -21.719 -4.528 -7.257 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -22.641 -4.822 -7.993 1.00 0.00 O ATOM 1140 NE2 GLN A 72 -21.788 -3.440 -6.530 1.00 0.00 N ATOM 0 H GLN A 72 -19.053 -3.356 -5.707 1.00 0.00 H new ATOM 0 HA GLN A 72 -17.490 -4.023 -8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -19.963 -4.642 -9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -18.866 -5.877 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -20.766 -6.467 -7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -20.041 -5.358 -6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -21.016 -3.190 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -22.613 -2.843 -6.583 1.00 0.00 H new ATOM 1149 N PRO A 73 -19.006 -2.276 -9.411 1.00 0.00 N ATOM 1150 CA PRO A 73 -19.495 -0.972 -9.935 1.00 0.00 C ATOM 1151 C PRO A 73 -20.968 -0.778 -9.540 1.00 0.00 C ATOM 1152 O PRO A 73 -21.429 0.334 -9.392 1.00 0.00 O ATOM 1153 CB PRO A 73 -19.308 -1.100 -11.443 1.00 0.00 C ATOM 1154 CG PRO A 73 -19.302 -2.574 -11.683 1.00 0.00 C ATOM 1155 CD PRO A 73 -18.585 -3.169 -10.501 1.00 0.00 C ATOM 0 HA PRO A 73 -18.967 -0.104 -9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.115 -0.610 -11.988 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.376 -0.639 -11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.317 -2.963 -11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.792 -2.818 -12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.882 -4.202 -10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.503 -3.167 -10.636 1.00 0.00 H new ATOM 1163 N SER A 74 -21.671 -1.875 -9.320 1.00 0.00 N ATOM 1164 CA SER A 74 -23.101 -1.850 -8.859 1.00 0.00 C ATOM 1165 C SER A 74 -24.115 -1.509 -9.962 1.00 0.00 C ATOM 1166 O SER A 74 -24.835 -2.374 -10.423 1.00 0.00 O ATOM 1167 CB SER A 74 -23.145 -0.850 -7.682 1.00 0.00 C ATOM 1168 OG SER A 74 -23.513 0.457 -8.101 1.00 0.00 O ATOM 0 H SER A 74 -21.296 -2.815 -9.447 1.00 0.00 H new ATOM 0 HA SER A 74 -23.409 -2.849 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.855 -1.203 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.167 -0.814 -7.202 1.00 0.00 H new ATOM 0 HG SER A 74 -22.726 0.921 -8.455 1.00 0.00 H new ATOM 1174 N SER A 75 -24.226 -0.274 -10.352 1.00 0.00 N ATOM 1175 CA SER A 75 -25.245 0.097 -11.375 1.00 0.00 C ATOM 1176 C SER A 75 -24.648 0.161 -12.792 1.00 0.00 C ATOM 1177 O SER A 75 -25.363 0.335 -13.761 1.00 0.00 O ATOM 1178 CB SER A 75 -25.741 1.456 -10.893 1.00 0.00 C ATOM 1179 OG SER A 75 -24.809 2.468 -11.230 1.00 0.00 O ATOM 0 H SER A 75 -23.656 0.498 -10.008 1.00 0.00 H new ATOM 0 HA SER A 75 -26.046 -0.637 -11.463 1.00 0.00 H new ATOM 0 HB2 SER A 75 -26.708 1.678 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 75 -25.890 1.434 -9.813 1.00 0.00 H new ATOM 0 HG SER A 75 -23.898 2.116 -11.143 1.00 0.00 H new ATOM 1185 N GLN A 76 -23.357 -0.004 -12.921 1.00 0.00 N ATOM 1186 CA GLN A 76 -22.715 0.017 -14.268 1.00 0.00 C ATOM 1187 C GLN A 76 -22.899 -1.349 -14.959 1.00 0.00 C ATOM 1188 O GLN A 76 -23.116 -1.390 -16.146 1.00 0.00 O ATOM 1189 CB GLN A 76 -21.235 0.297 -14.003 1.00 0.00 C ATOM 1190 CG GLN A 76 -21.044 1.782 -13.670 1.00 0.00 C ATOM 1191 CD GLN A 76 -21.029 1.986 -12.151 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -22.158 2.071 -11.499 1.00 0.00 O flip ATOM 1193 NE2 GLN A 76 -19.977 2.073 -11.551 1.00 0.00 N flip ATOM 0 H GLN A 76 -22.715 -0.154 -12.143 1.00 0.00 H new ATOM 0 HA GLN A 76 -23.153 0.768 -14.926 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -20.880 -0.320 -13.177 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -20.642 0.031 -14.878 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -20.110 2.142 -14.102 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -21.848 2.368 -14.115 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -19.094 2.007 -12.057 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -19.976 2.212 -10.541 1.00 0.00 H new ATOM 1202 N PRO A 77 -22.836 -2.440 -14.204 1.00 0.00 N ATOM 1203 CA PRO A 77 -23.033 -3.777 -14.820 1.00 0.00 C ATOM 1204 C PRO A 77 -24.527 -4.016 -15.119 1.00 0.00 C ATOM 1205 O PRO A 77 -24.923 -5.097 -15.512 1.00 0.00 O ATOM 1206 CB PRO A 77 -22.529 -4.750 -13.760 1.00 0.00 C ATOM 1207 CG PRO A 77 -22.681 -4.018 -12.464 1.00 0.00 C ATOM 1208 CD PRO A 77 -22.589 -2.539 -12.754 1.00 0.00 C ATOM 0 HA PRO A 77 -22.509 -3.888 -15.769 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -23.109 -5.673 -13.763 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -21.490 -5.026 -13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -23.638 -4.257 -12.000 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -21.903 -4.319 -11.762 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -23.327 -1.975 -12.185 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -21.610 -2.141 -12.489 1.00 0.00 H new ATOM 1216 N ARG A 78 -25.350 -3.006 -14.943 1.00 0.00 N ATOM 1217 CA ARG A 78 -26.809 -3.141 -15.219 1.00 0.00 C ATOM 1218 C ARG A 78 -27.208 -2.101 -16.270 1.00 0.00 C ATOM 1219 O ARG A 78 -27.858 -2.413 -17.250 1.00 0.00 O ATOM 1220 CB ARG A 78 -27.507 -2.856 -13.885 1.00 0.00 C ATOM 1221 CG ARG A 78 -26.821 -3.621 -12.748 1.00 0.00 C ATOM 1222 CD ARG A 78 -27.598 -3.405 -11.446 1.00 0.00 C ATOM 1223 NE ARG A 78 -26.974 -4.354 -10.478 1.00 0.00 N ATOM 1224 CZ ARG A 78 -27.316 -4.318 -9.217 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -28.375 -4.969 -8.809 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -26.598 -3.634 -8.364 1.00 0.00 N ATOM 0 H ARG A 78 -25.063 -2.084 -14.615 1.00 0.00 H new ATOM 0 HA ARG A 78 -27.080 -4.126 -15.600 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -27.485 -1.786 -13.677 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -28.556 -3.147 -13.947 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -26.777 -4.684 -12.985 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -25.793 -3.277 -12.632 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -27.516 -2.374 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -28.660 -3.613 -11.578 1.00 0.00 H new ATOM 0 HE ARG A 78 -26.281 -5.030 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -28.933 -5.504 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -28.643 -4.942 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -25.771 -3.129 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -26.865 -3.606 -7.380 1.00 0.00 H new ATOM 1240 N GLY A 79 -26.792 -0.871 -16.079 1.00 0.00 N ATOM 1241 CA GLY A 79 -27.105 0.196 -17.070 1.00 0.00 C ATOM 1242 C GLY A 79 -27.771 1.411 -16.417 1.00 0.00 C ATOM 1243 O GLY A 79 -28.614 2.055 -17.014 1.00 0.00 O ATOM 0 H GLY A 79 -26.247 -0.564 -15.274 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -26.187 0.510 -17.567 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -27.762 -0.207 -17.840 1.00 0.00 H new ATOM 1247 N ASP A 80 -27.378 1.751 -15.217 1.00 0.00 N ATOM 1248 CA ASP A 80 -27.962 2.952 -14.545 1.00 0.00 C ATOM 1249 C ASP A 80 -27.289 4.211 -15.107 1.00 0.00 C ATOM 1250 O ASP A 80 -26.424 4.104 -15.953 1.00 0.00 O ATOM 1251 CB ASP A 80 -27.625 2.771 -13.065 1.00 0.00 C ATOM 1252 CG ASP A 80 -28.673 1.866 -12.412 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -28.517 0.658 -12.492 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -29.613 2.395 -11.845 1.00 0.00 O ATOM 0 H ASP A 80 -26.677 1.249 -14.672 1.00 0.00 H new ATOM 0 HA ASP A 80 -29.036 3.055 -14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -26.633 2.333 -12.958 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -27.602 3.739 -12.565 1.00 0.00 H new ATOM 1259 N PRO A 81 -27.688 5.367 -14.627 1.00 0.00 N ATOM 1260 CA PRO A 81 -27.070 6.630 -15.109 1.00 0.00 C ATOM 1261 C PRO A 81 -25.599 6.712 -14.655 1.00 0.00 C ATOM 1262 O PRO A 81 -25.254 7.453 -13.753 1.00 0.00 O ATOM 1263 CB PRO A 81 -27.922 7.721 -14.458 1.00 0.00 C ATOM 1264 CG PRO A 81 -28.506 7.059 -13.249 1.00 0.00 C ATOM 1265 CD PRO A 81 -28.733 5.616 -13.619 1.00 0.00 C ATOM 0 HA PRO A 81 -27.051 6.717 -16.195 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -27.319 8.587 -14.185 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.701 8.074 -15.134 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -27.830 7.139 -12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.442 7.537 -12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.629 4.957 -12.757 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -29.732 5.455 -14.024 1.00 0.00 H new ATOM 1273 N THR A 82 -24.734 5.941 -15.279 1.00 0.00 N ATOM 1274 CA THR A 82 -23.287 5.953 -14.899 1.00 0.00 C ATOM 1275 C THR A 82 -22.409 6.164 -16.148 1.00 0.00 C ATOM 1276 O THR A 82 -22.784 6.869 -17.067 1.00 0.00 O ATOM 1277 CB THR A 82 -23.021 4.586 -14.247 1.00 0.00 C ATOM 1278 OG1 THR A 82 -23.339 3.546 -15.153 1.00 0.00 O ATOM 1279 CG2 THR A 82 -23.872 4.445 -12.985 1.00 0.00 C ATOM 0 H THR A 82 -24.973 5.303 -16.038 1.00 0.00 H new ATOM 0 HA THR A 82 -23.047 6.766 -14.214 1.00 0.00 H new ATOM 0 HB THR A 82 -21.966 4.517 -13.983 1.00 0.00 H new ATOM 0 HG1 THR A 82 -23.980 2.933 -14.736 1.00 0.00 H new ATOM 0 HG21 THR A 82 -23.682 3.476 -12.524 1.00 0.00 H new ATOM 0 HG22 THR A 82 -23.615 5.237 -12.282 1.00 0.00 H new ATOM 0 HG23 THR A 82 -24.927 4.521 -13.247 1.00 0.00 H new ATOM 1287 N GLY A 83 -21.255 5.545 -16.190 1.00 0.00 N ATOM 1288 CA GLY A 83 -20.349 5.681 -17.371 1.00 0.00 C ATOM 1289 C GLY A 83 -20.391 4.357 -18.135 1.00 0.00 C ATOM 1290 O GLY A 83 -20.935 4.286 -19.220 1.00 0.00 O ATOM 0 H GLY A 83 -20.899 4.944 -15.447 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.672 6.503 -18.010 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.332 5.907 -17.050 1.00 0.00 H new ATOM 1294 N PRO A 84 -19.852 3.331 -17.512 1.00 0.00 N ATOM 1295 CA PRO A 84 -19.873 1.987 -18.100 1.00 0.00 C ATOM 1296 C PRO A 84 -21.170 1.334 -17.640 1.00 0.00 C ATOM 1297 O PRO A 84 -21.172 0.297 -17.008 1.00 0.00 O ATOM 1298 CB PRO A 84 -18.671 1.295 -17.474 1.00 0.00 C ATOM 1299 CG PRO A 84 -18.472 1.996 -16.165 1.00 0.00 C ATOM 1300 CD PRO A 84 -19.183 3.329 -16.216 1.00 0.00 C ATOM 0 HA PRO A 84 -19.827 1.955 -19.189 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -18.857 0.231 -17.330 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.789 1.381 -18.108 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -18.864 1.390 -15.348 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.409 2.142 -15.972 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -19.898 3.430 -15.399 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.481 4.158 -16.130 1.00 0.00 H new ATOM 1308 N LYS A 85 -22.273 1.964 -17.938 1.00 0.00 N ATOM 1309 CA LYS A 85 -23.602 1.422 -17.509 1.00 0.00 C ATOM 1310 C LYS A 85 -24.002 0.299 -18.457 1.00 0.00 C ATOM 1311 O LYS A 85 -25.038 0.314 -19.097 1.00 0.00 O ATOM 1312 CB LYS A 85 -24.608 2.593 -17.551 1.00 0.00 C ATOM 1313 CG LYS A 85 -24.244 3.626 -18.623 1.00 0.00 C ATOM 1314 CD LYS A 85 -25.489 4.425 -19.014 1.00 0.00 C ATOM 1315 CE LYS A 85 -25.522 4.597 -20.535 1.00 0.00 C ATOM 1316 NZ LYS A 85 -26.729 5.437 -20.788 1.00 0.00 N ATOM 0 H LYS A 85 -22.315 2.837 -18.464 1.00 0.00 H new ATOM 0 HA LYS A 85 -23.573 1.010 -16.500 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -25.608 2.205 -17.746 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -24.640 3.079 -16.576 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -23.472 4.298 -18.247 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -23.832 3.125 -19.499 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -26.388 3.909 -18.675 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -25.478 5.400 -18.526 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -24.617 5.082 -20.900 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -25.594 3.635 -21.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -26.828 5.604 -21.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -27.574 4.945 -20.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -26.627 6.348 -20.296 1.00 0.00 H new ATOM 1330 N GLU A 86 -23.146 -0.677 -18.529 1.00 0.00 N ATOM 1331 CA GLU A 86 -23.373 -1.855 -19.395 1.00 0.00 C ATOM 1332 C GLU A 86 -24.241 -2.898 -18.673 1.00 0.00 C ATOM 1333 O GLU A 86 -23.691 -3.733 -17.972 1.00 0.00 O ATOM 1334 CB GLU A 86 -21.961 -2.395 -19.722 1.00 0.00 C ATOM 1335 CG GLU A 86 -21.062 -2.391 -18.468 1.00 0.00 C ATOM 1336 CD GLU A 86 -20.150 -3.619 -18.479 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -20.630 -4.695 -18.159 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -18.983 -3.462 -18.803 1.00 0.00 O ATOM 1339 OXT GLU A 86 -25.448 -2.842 -18.837 1.00 0.00 O ATOM 0 H GLU A 86 -22.271 -0.704 -18.005 1.00 0.00 H new ATOM 0 HA GLU A 86 -23.915 -1.605 -20.307 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.038 -3.409 -20.115 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.506 -1.784 -20.502 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.462 -1.481 -18.443 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.677 -2.392 -17.568 1.00 0.00 H new