USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=30 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 143:sc= 1.2 USER MOD Set 1.2: A 75 SER OG : rot -37:sc= -3.35! USER MOD Set 1.3: A 76 GLN :FLIP amide:sc= -0.108 F(o=-6.7!,f=-2.3) USER MOD Set 2.1: A 40 THR OG1 : rot 174:sc= 1.93 USER MOD Set 2.2: A 47 TYR OH : rot 134:sc= 0.629 USER MOD Set 3.1: A 25 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 29 LYS NZ :NH3+ 171:sc= -0.0079 (180deg=-0.184) USER MOD Set 4.1: A 23 ASN : amide:sc= -3.29 K(o=-3.5,f=-5.2!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 180:sc= -0.239 (180deg=-0.239) USER MOD Set 5.1: A 12 ASN :FLIP amide:sc= -3.34 F(o=-16!,f=-14) USER MOD Set 5.2: A 63 GLN :FLIP amide:sc= -3.47 F(o=-16!,f=-14) USER MOD Set 5.3: A 65 HIS :FLIP no HD1:sc= -7.17! C(o=-16!,f=-14!) USER MOD Single : A 1 LEU N :NH3+ -115:sc= 0.065 (180deg=-0.222) USER MOD Single : A 7 ASN : amide:sc= 0.245 K(o=0.24,f=-0.51) USER MOD Single : A 13 HIS : no HD1:sc= -0.688 X(o=-0.69,f=-0.91) USER MOD Single : A 16 SER OG : rot -42:sc= 0.231 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -0.0478 (180deg=-0.536) USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00503 USER MOD Single : A 22 CYS SG : rot -33:sc= -0.108 USER MOD Single : A 26 HIS : no HE2:sc= -13.7! C(o=-14!,f=-14!) USER MOD Single : A 27 CYS SG : rot -29:sc= 0.00247 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.471 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 35:sc= 1.19 USER MOD Single : A 33 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.032) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.61! USER MOD Single : A 35 GLN :FLIP amide:sc= 0.405 F(o=-3.6,f=0.4) USER MOD Single : A 37 CYS SG : rot 6:sc= -0.699! USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.434 (180deg=-0.645) 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= -0.423 K(o=-0.42,f=-2.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.65 K(o=-1.6,f=-5.5!) USER MOD Single : A 66 GLN :FLIP amide:sc= -3.4! C(o=-4.9!,f=-3.4!) USER MOD Single : A 71 LYS NZ :NH3+ -113:sc= 0.775 (180deg=-0.00371) USER MOD Single : A 72 GLN : amide:sc= -3.2 K(o=-3.2,f=-4.1!) USER MOD Single : A 74 SER OG : rot -86:sc= 1.06! USER MOD Single : A 82 THR OG1 : rot -130:sc= -4.13! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.524 -10.148 0.996 1.00 0.00 N ATOM 2 CA LEU A 1 13.580 -9.056 1.383 1.00 0.00 C ATOM 3 C LEU A 1 14.232 -7.682 1.189 1.00 0.00 C ATOM 4 O LEU A 1 15.429 -7.573 0.993 1.00 0.00 O ATOM 5 CB LEU A 1 13.243 -9.304 2.862 1.00 0.00 C ATOM 6 CG LEU A 1 14.463 -9.012 3.746 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.191 -7.811 4.656 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.829 -10.241 4.581 1.00 0.00 C ATOM 0 H1 LEU A 1 14.148 -10.655 0.170 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.450 -9.738 0.759 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.632 -10.811 1.790 1.00 0.00 H new ATOM 0 HA LEU A 1 12.682 -9.060 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.409 -8.670 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.925 -10.337 3.001 1.00 0.00 H new ATOM 0 HG LEU A 1 15.306 -8.772 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.067 -7.618 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.978 -6.933 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.334 -8.025 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.696 -10.014 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.987 -10.511 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.064 -11.074 3.919 1.00 0.00 H new ATOM 22 N ASP A 2 13.438 -6.638 1.238 1.00 0.00 N ATOM 23 CA ASP A 2 13.967 -5.249 1.049 1.00 0.00 C ATOM 24 C ASP A 2 14.930 -5.177 -0.151 1.00 0.00 C ATOM 25 O ASP A 2 16.083 -4.814 -0.002 1.00 0.00 O ATOM 26 CB ASP A 2 14.689 -4.913 2.358 1.00 0.00 C ATOM 27 CG ASP A 2 14.665 -3.399 2.585 1.00 0.00 C ATOM 28 OD1 ASP A 2 13.602 -2.880 2.889 1.00 0.00 O ATOM 29 OD2 ASP A 2 15.709 -2.783 2.453 1.00 0.00 O ATOM 0 H ASP A 2 12.433 -6.691 1.403 1.00 0.00 H new ATOM 0 HA ASP A 2 13.169 -4.539 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.207 -5.423 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.719 -5.269 2.319 1.00 0.00 H new ATOM 34 N PRO A 3 14.414 -5.514 -1.315 1.00 0.00 N ATOM 35 CA PRO A 3 15.225 -5.471 -2.550 1.00 0.00 C ATOM 36 C PRO A 3 15.208 -4.030 -3.089 1.00 0.00 C ATOM 37 O PRO A 3 16.034 -3.219 -2.715 1.00 0.00 O ATOM 38 CB PRO A 3 14.509 -6.449 -3.480 1.00 0.00 C ATOM 39 CG PRO A 3 13.087 -6.493 -2.995 1.00 0.00 C ATOM 40 CD PRO A 3 13.042 -5.954 -1.580 1.00 0.00 C ATOM 0 HA PRO A 3 16.273 -5.743 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.560 -6.115 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.968 -7.437 -3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.446 -5.899 -3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.709 -7.515 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.336 -5.129 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.727 -6.721 -0.872 1.00 0.00 H new ATOM 48 N VAL A 4 14.239 -3.687 -3.911 1.00 0.00 N ATOM 49 CA VAL A 4 14.132 -2.278 -4.401 1.00 0.00 C ATOM 50 C VAL A 4 13.682 -1.440 -3.203 1.00 0.00 C ATOM 51 O VAL A 4 14.327 -0.495 -2.792 1.00 0.00 O ATOM 52 CB VAL A 4 13.042 -2.318 -5.485 1.00 0.00 C ATOM 53 CG1 VAL A 4 12.445 -0.943 -5.805 1.00 0.00 C ATOM 54 CG2 VAL A 4 13.611 -2.886 -6.789 1.00 0.00 C ATOM 0 H VAL A 4 13.522 -4.322 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 4 15.055 -1.861 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 4 12.252 -2.950 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.683 -1.048 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.994 -0.524 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.232 -0.278 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.829 -2.909 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.432 -2.256 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.978 -3.898 -6.616 1.00 0.00 H new ATOM 64 N ASP A 5 12.593 -1.861 -2.618 1.00 0.00 N ATOM 65 CA ASP A 5 12.043 -1.220 -1.397 1.00 0.00 C ATOM 66 C ASP A 5 11.201 -2.302 -0.700 1.00 0.00 C ATOM 67 O ASP A 5 11.656 -2.879 0.267 1.00 0.00 O ATOM 68 CB ASP A 5 11.219 -0.012 -1.867 1.00 0.00 C ATOM 69 CG ASP A 5 12.116 1.227 -1.972 1.00 0.00 C ATOM 70 OD1 ASP A 5 12.782 1.545 -0.998 1.00 0.00 O ATOM 71 OD2 ASP A 5 12.123 1.838 -3.028 1.00 0.00 O ATOM 0 H ASP A 5 12.045 -2.653 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 5 12.789 -0.855 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.765 -0.225 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.404 0.177 -1.168 1.00 0.00 H new ATOM 76 N PRO A 6 10.044 -2.621 -1.256 1.00 0.00 N ATOM 77 CA PRO A 6 9.227 -3.717 -0.710 1.00 0.00 C ATOM 78 C PRO A 6 9.605 -4.992 -1.478 1.00 0.00 C ATOM 79 O PRO A 6 10.489 -4.967 -2.314 1.00 0.00 O ATOM 80 CB PRO A 6 7.803 -3.293 -1.026 1.00 0.00 C ATOM 81 CG PRO A 6 7.919 -2.380 -2.217 1.00 0.00 C ATOM 82 CD PRO A 6 9.377 -2.014 -2.413 1.00 0.00 C ATOM 0 HA PRO A 6 9.361 -3.908 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.176 -4.156 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.348 -2.780 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.530 -2.872 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.322 -1.481 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.766 -2.407 -3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.519 -0.934 -2.437 1.00 0.00 H new ATOM 90 N ASN A 7 8.959 -6.097 -1.232 1.00 0.00 N ATOM 91 CA ASN A 7 9.330 -7.338 -1.985 1.00 0.00 C ATOM 92 C ASN A 7 8.830 -7.256 -3.434 1.00 0.00 C ATOM 93 O ASN A 7 9.588 -7.453 -4.364 1.00 0.00 O ATOM 94 CB ASN A 7 8.659 -8.490 -1.234 1.00 0.00 C ATOM 95 CG ASN A 7 9.442 -8.777 0.053 1.00 0.00 C ATOM 96 OD1 ASN A 7 10.314 -9.622 0.070 1.00 0.00 O ATOM 97 ND2 ASN A 7 9.165 -8.104 1.136 1.00 0.00 N ATOM 0 H ASN A 7 8.203 -6.200 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 7 10.410 -7.476 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.627 -8.233 -0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.629 -9.381 -1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.681 -8.288 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.433 -7.394 1.122 1.00 0.00 H new ATOM 104 N ILE A 8 7.570 -6.959 -3.633 1.00 0.00 N ATOM 105 CA ILE A 8 7.032 -6.853 -5.032 1.00 0.00 C ATOM 106 C ILE A 8 6.210 -5.565 -5.208 1.00 0.00 C ATOM 107 O ILE A 8 5.443 -5.446 -6.145 1.00 0.00 O ATOM 108 CB ILE A 8 6.145 -8.105 -5.259 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.720 -7.894 -4.710 1.00 0.00 C ATOM 110 CG2 ILE A 8 6.776 -9.336 -4.595 1.00 0.00 C ATOM 111 CD1 ILE A 8 4.748 -7.540 -3.221 1.00 0.00 C ATOM 0 H ILE A 8 6.890 -6.785 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 8 7.843 -6.809 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 8 6.077 -8.268 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.227 -7.097 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.132 -8.799 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.141 -10.206 -4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.761 -9.517 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.875 -9.161 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.729 -7.397 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.219 -8.349 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.316 -6.621 -3.076 1.00 0.00 H new ATOM 123 N GLU A 9 6.362 -4.605 -4.315 1.00 0.00 N ATOM 124 CA GLU A 9 5.580 -3.329 -4.421 1.00 0.00 C ATOM 125 C GLU A 9 4.094 -3.645 -4.652 1.00 0.00 C ATOM 126 O GLU A 9 3.602 -3.514 -5.754 1.00 0.00 O ATOM 127 CB GLU A 9 6.169 -2.584 -5.627 1.00 0.00 C ATOM 128 CG GLU A 9 7.505 -1.943 -5.243 1.00 0.00 C ATOM 129 CD GLU A 9 8.035 -1.107 -6.412 1.00 0.00 C ATOM 130 OE1 GLU A 9 8.387 -1.693 -7.424 1.00 0.00 O ATOM 131 OE2 GLU A 9 8.087 0.103 -6.272 1.00 0.00 O ATOM 0 H GLU A 9 6.996 -4.654 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 9 5.645 -2.730 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.313 -3.275 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.473 -1.818 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.377 -1.313 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.227 -2.716 -4.980 1.00 0.00 H new ATOM 138 N PRO A 10 3.432 -4.085 -3.608 1.00 0.00 N ATOM 139 CA PRO A 10 2.002 -4.445 -3.711 1.00 0.00 C ATOM 140 C PRO A 10 1.066 -3.280 -3.352 1.00 0.00 C ATOM 141 O PRO A 10 -0.058 -3.496 -2.934 1.00 0.00 O ATOM 142 CB PRO A 10 1.870 -5.560 -2.690 1.00 0.00 C ATOM 143 CG PRO A 10 2.971 -5.324 -1.685 1.00 0.00 C ATOM 144 CD PRO A 10 3.941 -4.312 -2.256 1.00 0.00 C ATOM 0 HA PRO A 10 1.720 -4.723 -4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.891 -5.539 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.973 -6.537 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.554 -4.960 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.487 -6.258 -1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.954 -3.392 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.961 -4.695 -2.269 1.00 0.00 H new ATOM 152 N TRP A 11 1.487 -2.060 -3.544 1.00 0.00 N ATOM 153 CA TRP A 11 0.582 -0.908 -3.248 1.00 0.00 C ATOM 154 C TRP A 11 0.065 -0.368 -4.585 1.00 0.00 C ATOM 155 O TRP A 11 0.061 0.822 -4.835 1.00 0.00 O ATOM 156 CB TRP A 11 1.446 0.148 -2.545 1.00 0.00 C ATOM 157 CG TRP A 11 2.147 -0.423 -1.351 1.00 0.00 C ATOM 158 CD1 TRP A 11 3.219 -1.246 -1.399 1.00 0.00 C ATOM 159 CD2 TRP A 11 1.861 -0.208 0.062 1.00 0.00 C ATOM 160 NE1 TRP A 11 3.600 -1.562 -0.111 1.00 0.00 N ATOM 161 CE2 TRP A 11 2.796 -0.944 0.826 1.00 0.00 C ATOM 162 CE3 TRP A 11 0.890 0.542 0.751 1.00 0.00 C ATOM 163 CZ2 TRP A 11 2.767 -0.933 2.220 1.00 0.00 C ATOM 164 CZ3 TRP A 11 0.861 0.552 2.152 1.00 0.00 C ATOM 165 CH2 TRP A 11 1.796 -0.183 2.883 1.00 0.00 C ATOM 0 H TRP A 11 2.413 -1.809 -3.891 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.267 -1.184 -2.622 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.182 0.543 -3.246 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.820 0.985 -2.235 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.699 -1.599 -2.300 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.380 -2.177 0.121 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.162 1.114 0.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.492 -1.502 2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.111 1.132 2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.767 -0.171 3.963 1.00 0.00 H new ATOM 176 N ASN A 12 -0.343 -1.263 -5.459 1.00 0.00 N ATOM 177 CA ASN A 12 -0.834 -0.861 -6.809 1.00 0.00 C ATOM 178 C ASN A 12 -2.152 -1.581 -7.113 1.00 0.00 C ATOM 179 O ASN A 12 -2.227 -2.430 -7.984 1.00 0.00 O ATOM 180 CB ASN A 12 0.254 -1.326 -7.789 1.00 0.00 C ATOM 181 CG ASN A 12 1.655 -0.921 -7.313 1.00 0.00 C ATOM 182 OD1 ASN A 12 2.176 -1.527 -6.286 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 2.286 -0.068 -7.901 1.00 0.00 N flip ATOM 0 H ASN A 12 -0.354 -2.268 -5.286 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.016 0.211 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.206 -2.409 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.065 -0.897 -8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.876 0.406 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.227 0.175 -7.591 1.00 0.00 H new ATOM 190 N HIS A 13 -3.185 -1.254 -6.392 1.00 0.00 N ATOM 191 CA HIS A 13 -4.507 -1.918 -6.613 1.00 0.00 C ATOM 192 C HIS A 13 -5.436 -1.011 -7.436 1.00 0.00 C ATOM 193 O HIS A 13 -5.152 0.153 -7.624 1.00 0.00 O ATOM 194 CB HIS A 13 -5.085 -2.106 -5.203 1.00 0.00 C ATOM 195 CG HIS A 13 -4.316 -3.155 -4.436 1.00 0.00 C ATOM 196 ND1 HIS A 13 -4.605 -3.454 -3.112 1.00 0.00 N ATOM 197 CD2 HIS A 13 -3.274 -3.981 -4.787 1.00 0.00 C ATOM 198 CE1 HIS A 13 -3.757 -4.421 -2.718 1.00 0.00 C ATOM 199 NE2 HIS A 13 -2.924 -4.780 -3.699 1.00 0.00 N ATOM 0 H HIS A 13 -3.175 -0.551 -5.653 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.407 -2.856 -7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.052 -1.159 -4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.133 -2.397 -5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.799 -4.007 -5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.750 -4.855 -1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.190 -5.487 -3.660 1.00 0.00 H new ATOM 207 N PRO A 14 -6.535 -1.577 -7.880 1.00 0.00 N ATOM 208 CA PRO A 14 -7.540 -0.802 -8.647 1.00 0.00 C ATOM 209 C PRO A 14 -8.422 0.009 -7.685 1.00 0.00 C ATOM 210 O PRO A 14 -9.059 0.970 -8.071 1.00 0.00 O ATOM 211 CB PRO A 14 -8.385 -1.873 -9.325 1.00 0.00 C ATOM 212 CG PRO A 14 -8.243 -3.085 -8.458 1.00 0.00 C ATOM 213 CD PRO A 14 -6.928 -2.981 -7.723 1.00 0.00 C ATOM 0 HA PRO A 14 -7.087 -0.101 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.427 -1.563 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.035 -2.069 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.071 -3.147 -7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.271 -3.992 -9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.038 -3.248 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.181 -3.653 -8.147 1.00 0.00 H new ATOM 221 N GLY A 15 -8.491 -0.405 -6.443 1.00 0.00 N ATOM 222 CA GLY A 15 -9.359 0.294 -5.456 1.00 0.00 C ATOM 223 C GLY A 15 -10.799 -0.198 -5.654 1.00 0.00 C ATOM 224 O GLY A 15 -11.750 0.481 -5.317 1.00 0.00 O ATOM 0 H GLY A 15 -7.977 -1.204 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.023 0.087 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.303 1.373 -5.597 1.00 0.00 H new ATOM 228 N SER A 16 -10.952 -1.375 -6.220 1.00 0.00 N ATOM 229 CA SER A 16 -12.314 -1.935 -6.475 1.00 0.00 C ATOM 230 C SER A 16 -12.287 -3.476 -6.525 1.00 0.00 C ATOM 231 O SER A 16 -13.259 -4.099 -6.909 1.00 0.00 O ATOM 232 CB SER A 16 -12.686 -1.377 -7.847 1.00 0.00 C ATOM 233 OG SER A 16 -14.072 -1.574 -8.085 1.00 0.00 O ATOM 0 H SER A 16 -10.182 -1.974 -6.517 1.00 0.00 H new ATOM 0 HA SER A 16 -13.021 -1.667 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.446 -0.315 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.100 -1.871 -8.622 1.00 0.00 H new ATOM 0 HG SER A 16 -14.333 -2.467 -7.778 1.00 0.00 H new ATOM 239 N GLN A 17 -11.189 -4.096 -6.148 1.00 0.00 N ATOM 240 CA GLN A 17 -11.118 -5.586 -6.190 1.00 0.00 C ATOM 241 C GLN A 17 -10.370 -6.136 -4.959 1.00 0.00 C ATOM 242 O GLN A 17 -10.965 -6.812 -4.143 1.00 0.00 O ATOM 243 CB GLN A 17 -10.395 -5.921 -7.494 1.00 0.00 C ATOM 244 CG GLN A 17 -11.333 -5.655 -8.675 1.00 0.00 C ATOM 245 CD GLN A 17 -10.754 -6.266 -9.954 1.00 0.00 C ATOM 246 OE1 GLN A 17 -9.602 -6.654 -9.996 1.00 0.00 O ATOM 247 NE2 GLN A 17 -11.511 -6.360 -11.012 1.00 0.00 N ATOM 0 H GLN A 17 -10.344 -3.631 -5.815 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.106 -6.045 -6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.492 -5.317 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.081 -6.965 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.316 -6.080 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.471 -4.582 -8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.477 -6.035 -10.978 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.137 -6.758 -11.873 1.00 0.00 H new ATOM 256 N PRO A 18 -9.089 -5.821 -4.843 1.00 0.00 N ATOM 257 CA PRO A 18 -8.299 -6.297 -3.674 1.00 0.00 C ATOM 258 C PRO A 18 -8.719 -5.540 -2.402 1.00 0.00 C ATOM 259 O PRO A 18 -8.293 -5.865 -1.312 1.00 0.00 O ATOM 260 CB PRO A 18 -6.859 -5.968 -4.045 1.00 0.00 C ATOM 261 CG PRO A 18 -6.976 -4.835 -5.009 1.00 0.00 C ATOM 262 CD PRO A 18 -8.270 -5.016 -5.759 1.00 0.00 C ATOM 0 HA PRO A 18 -8.445 -7.357 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.277 -5.685 -3.168 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.359 -6.825 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.967 -3.880 -4.483 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.131 -4.827 -5.697 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.741 -4.059 -5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.114 -5.525 -6.710 1.00 0.00 H new ATOM 270 N LYS A 19 -9.553 -4.532 -2.542 1.00 0.00 N ATOM 271 CA LYS A 19 -10.021 -3.750 -1.356 1.00 0.00 C ATOM 272 C LYS A 19 -11.556 -3.640 -1.368 1.00 0.00 C ATOM 273 O LYS A 19 -12.139 -2.988 -0.523 1.00 0.00 O ATOM 274 CB LYS A 19 -9.396 -2.360 -1.504 1.00 0.00 C ATOM 275 CG LYS A 19 -7.944 -2.473 -1.985 1.00 0.00 C ATOM 276 CD LYS A 19 -7.324 -1.075 -2.081 1.00 0.00 C ATOM 277 CE LYS A 19 -7.148 -0.489 -0.676 1.00 0.00 C ATOM 278 NZ LYS A 19 -6.739 0.926 -0.915 1.00 0.00 N ATOM 0 H LYS A 19 -9.930 -4.218 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.732 -4.227 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.975 -1.768 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.429 -1.836 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.369 -3.090 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.910 -2.965 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.360 -1.129 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.962 -0.424 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.074 -0.544 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.391 -1.032 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.952 1.496 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.718 0.964 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.261 1.305 -1.731 1.00 0.00 H new ATOM 292 N THR A 20 -12.217 -4.265 -2.326 1.00 0.00 N ATOM 293 CA THR A 20 -13.709 -4.181 -2.394 1.00 0.00 C ATOM 294 C THR A 20 -14.324 -5.484 -2.934 1.00 0.00 C ATOM 295 O THR A 20 -15.372 -5.904 -2.481 1.00 0.00 O ATOM 296 CB THR A 20 -14.001 -3.025 -3.358 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.586 -1.798 -2.771 1.00 0.00 O ATOM 298 CG2 THR A 20 -15.503 -2.966 -3.655 1.00 0.00 C ATOM 0 H THR A 20 -11.783 -4.826 -3.059 1.00 0.00 H new ATOM 0 HA THR A 20 -14.140 -4.023 -1.405 1.00 0.00 H new ATOM 0 HB THR A 20 -13.455 -3.187 -4.287 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.772 -1.060 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.706 -2.143 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.821 -3.904 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.052 -2.809 -2.726 1.00 0.00 H new ATOM 306 N ALA A 21 -13.703 -6.110 -3.912 1.00 0.00 N ATOM 307 CA ALA A 21 -14.283 -7.372 -4.489 1.00 0.00 C ATOM 308 C ALA A 21 -14.155 -8.547 -3.506 1.00 0.00 C ATOM 309 O ALA A 21 -13.388 -9.465 -3.728 1.00 0.00 O ATOM 310 CB ALA A 21 -13.483 -7.651 -5.763 1.00 0.00 C ATOM 0 H ALA A 21 -12.826 -5.804 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.347 -7.257 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.856 -8.560 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.593 -6.814 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.430 -7.778 -5.511 1.00 0.00 H new ATOM 316 N CYS A 22 -14.920 -8.520 -2.430 1.00 0.00 N ATOM 317 CA CYS A 22 -14.891 -9.625 -1.406 1.00 0.00 C ATOM 318 C CYS A 22 -13.468 -10.169 -1.202 1.00 0.00 C ATOM 319 O CYS A 22 -13.242 -11.362 -1.102 1.00 0.00 O ATOM 320 CB CYS A 22 -15.842 -10.690 -1.967 1.00 0.00 C ATOM 321 SG CYS A 22 -15.017 -11.705 -3.222 1.00 0.00 S ATOM 0 H CYS A 22 -15.573 -7.766 -2.216 1.00 0.00 H new ATOM 0 HA CYS A 22 -15.201 -9.284 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -16.199 -11.326 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -16.717 -10.208 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 22 -14.151 -10.980 -3.866 1.00 0.00 H new ATOM 327 N ASN A 23 -12.512 -9.283 -1.144 1.00 0.00 N ATOM 328 CA ASN A 23 -11.094 -9.688 -0.956 1.00 0.00 C ATOM 329 C ASN A 23 -10.818 -10.050 0.509 1.00 0.00 C ATOM 330 O ASN A 23 -11.703 -10.451 1.241 1.00 0.00 O ATOM 331 CB ASN A 23 -10.297 -8.443 -1.376 1.00 0.00 C ATOM 332 CG ASN A 23 -10.400 -7.350 -0.298 1.00 0.00 C ATOM 333 OD1 ASN A 23 -9.554 -7.252 0.570 1.00 0.00 O ATOM 334 ND2 ASN A 23 -11.403 -6.516 -0.316 1.00 0.00 N ATOM 0 H ASN A 23 -12.659 -8.277 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.827 -10.572 -1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.252 -8.709 -1.534 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.677 -8.064 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.474 -5.788 0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.116 -6.592 -1.041 1.00 0.00 H new ATOM 341 N ARG A 24 -9.588 -9.900 0.926 1.00 0.00 N ATOM 342 CA ARG A 24 -9.201 -10.208 2.328 1.00 0.00 C ATOM 343 C ARG A 24 -10.098 -9.434 3.304 1.00 0.00 C ATOM 344 O ARG A 24 -11.002 -9.993 3.896 1.00 0.00 O ATOM 345 CB ARG A 24 -7.751 -9.727 2.458 1.00 0.00 C ATOM 346 CG ARG A 24 -6.852 -10.434 1.443 1.00 0.00 C ATOM 347 CD ARG A 24 -5.773 -9.454 0.978 1.00 0.00 C ATOM 348 NE ARG A 24 -6.469 -8.561 0.006 1.00 0.00 N ATOM 349 CZ ARG A 24 -6.302 -8.732 -1.279 1.00 0.00 C ATOM 350 NH1 ARG A 24 -7.024 -9.613 -1.921 1.00 0.00 N ATOM 351 NH2 ARG A 24 -5.415 -8.019 -1.920 1.00 0.00 N ATOM 0 H ARG A 24 -8.822 -9.570 0.339 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.306 -11.268 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.705 -8.649 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.388 -9.919 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.394 -11.315 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.440 -10.780 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.365 -8.887 1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.939 -9.976 0.510 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.077 -7.815 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.718 -10.167 -1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.893 -9.746 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.854 -7.331 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.283 -8.151 -2.923 1.00 0.00 H new ATOM 365 N CYS A 25 -9.846 -8.149 3.472 1.00 0.00 N ATOM 366 CA CYS A 25 -10.672 -7.314 4.401 1.00 0.00 C ATOM 367 C CYS A 25 -10.466 -7.755 5.858 1.00 0.00 C ATOM 368 O CYS A 25 -11.401 -7.842 6.633 1.00 0.00 O ATOM 369 CB CYS A 25 -12.113 -7.548 3.956 1.00 0.00 C ATOM 370 SG CYS A 25 -13.093 -6.051 4.233 1.00 0.00 S ATOM 0 H CYS A 25 -9.096 -7.645 2.999 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.399 -6.259 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -12.138 -7.819 2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -12.543 -8.383 4.510 1.00 0.00 H new ATOM 0 HG CYS A 25 -14.318 -6.257 3.850 1.00 0.00 H new ATOM 376 N HIS A 26 -9.241 -8.021 6.232 1.00 0.00 N ATOM 377 CA HIS A 26 -8.942 -8.446 7.633 1.00 0.00 C ATOM 378 C HIS A 26 -7.427 -8.337 7.886 1.00 0.00 C ATOM 379 O HIS A 26 -6.955 -7.300 8.292 1.00 0.00 O ATOM 380 CB HIS A 26 -9.464 -9.896 7.786 1.00 0.00 C ATOM 381 CG HIS A 26 -9.249 -10.725 6.536 1.00 0.00 C ATOM 382 ND1 HIS A 26 -9.897 -11.934 6.329 1.00 0.00 N ATOM 383 CD2 HIS A 26 -8.444 -10.547 5.440 1.00 0.00 C ATOM 384 CE1 HIS A 26 -9.465 -12.427 5.150 1.00 0.00 C ATOM 385 NE2 HIS A 26 -8.578 -11.623 4.575 1.00 0.00 N ATOM 0 H HIS A 26 -8.427 -7.961 5.620 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.431 -7.810 8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.960 -10.374 8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.527 -9.873 8.024 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.575 -12.370 6.954 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.801 -9.695 5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -9.800 -13.362 4.725 1.00 0.00 H new ATOM 393 N CYS A 27 -6.663 -9.375 7.631 1.00 0.00 N ATOM 394 CA CYS A 27 -5.179 -9.303 7.839 1.00 0.00 C ATOM 395 C CYS A 27 -4.571 -8.099 7.091 1.00 0.00 C ATOM 396 O CYS A 27 -3.520 -7.609 7.452 1.00 0.00 O ATOM 397 CB CYS A 27 -4.642 -10.611 7.252 1.00 0.00 C ATOM 398 SG CYS A 27 -2.898 -10.811 7.700 1.00 0.00 S ATOM 0 H CYS A 27 -7.005 -10.272 7.287 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.924 -9.176 8.891 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.223 -11.454 7.626 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.751 -10.606 6.167 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.351 -9.641 7.848 1.00 0.00 H new ATOM 404 N LYS A 28 -5.226 -7.628 6.052 1.00 0.00 N ATOM 405 CA LYS A 28 -4.699 -6.458 5.269 1.00 0.00 C ATOM 406 C LYS A 28 -4.639 -5.186 6.134 1.00 0.00 C ATOM 407 O LYS A 28 -3.770 -4.350 5.959 1.00 0.00 O ATOM 408 CB LYS A 28 -5.705 -6.278 4.134 1.00 0.00 C ATOM 409 CG LYS A 28 -5.295 -5.096 3.249 1.00 0.00 C ATOM 410 CD LYS A 28 -6.402 -4.813 2.232 1.00 0.00 C ATOM 411 CE LYS A 28 -7.564 -4.094 2.926 1.00 0.00 C ATOM 412 NZ LYS A 28 -8.607 -3.974 1.867 1.00 0.00 N ATOM 0 H LYS A 28 -6.109 -8.006 5.710 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.683 -6.632 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.758 -7.188 3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.701 -6.107 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.116 -4.213 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.361 -5.321 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.015 -4.199 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.751 -5.746 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.929 -4.662 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.261 -3.116 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.442 -3.492 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.230 -3.424 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.877 -4.922 1.537 1.00 0.00 H new ATOM 426 N LYS A 29 -5.558 -5.031 7.054 1.00 0.00 N ATOM 427 CA LYS A 29 -5.571 -3.814 7.928 1.00 0.00 C ATOM 428 C LYS A 29 -6.182 -4.143 9.304 1.00 0.00 C ATOM 429 O LYS A 29 -6.758 -3.292 9.957 1.00 0.00 O ATOM 430 CB LYS A 29 -6.434 -2.790 7.163 1.00 0.00 C ATOM 431 CG LYS A 29 -7.937 -3.035 7.399 1.00 0.00 C ATOM 432 CD LYS A 29 -8.353 -4.389 6.815 1.00 0.00 C ATOM 433 CE LYS A 29 -9.879 -4.523 6.849 1.00 0.00 C ATOM 434 NZ LYS A 29 -10.339 -3.847 5.601 1.00 0.00 N ATOM 0 H LYS A 29 -6.306 -5.699 7.240 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.569 -3.432 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.173 -1.781 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.216 -2.853 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.153 -3.010 8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.519 -2.238 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.994 -4.479 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.895 -5.197 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.186 -5.569 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.300 -4.049 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.355 -4.023 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.172 -2.823 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.811 -4.223 4.788 1.00 0.00 H new ATOM 448 N CYS A 30 -6.073 -5.378 9.732 1.00 0.00 N ATOM 449 CA CYS A 30 -6.663 -5.789 11.046 1.00 0.00 C ATOM 450 C CYS A 30 -6.175 -4.892 12.198 1.00 0.00 C ATOM 451 O CYS A 30 -6.978 -4.314 12.907 1.00 0.00 O ATOM 452 CB CYS A 30 -6.240 -7.254 11.249 1.00 0.00 C ATOM 453 SG CYS A 30 -4.459 -7.460 10.994 1.00 0.00 S ATOM 0 H CYS A 30 -5.597 -6.124 9.224 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.748 -5.684 11.043 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.506 -7.576 12.256 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.786 -7.893 10.555 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.136 -8.706 11.174 1.00 0.00 H new ATOM 459 N CYS A 31 -4.882 -4.763 12.390 1.00 0.00 N ATOM 460 CA CYS A 31 -4.362 -3.897 13.499 1.00 0.00 C ATOM 461 C CYS A 31 -2.828 -3.899 13.500 1.00 0.00 C ATOM 462 O CYS A 31 -2.198 -4.330 14.450 1.00 0.00 O ATOM 463 CB CYS A 31 -4.906 -4.517 14.795 1.00 0.00 C ATOM 464 SG CYS A 31 -5.832 -3.266 15.722 1.00 0.00 S ATOM 0 H CYS A 31 -4.165 -5.220 11.827 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.678 -2.860 13.388 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.551 -5.364 14.562 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.084 -4.899 15.401 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.294 -3.792 16.818 1.00 0.00 H new ATOM 470 N TYR A 32 -2.222 -3.417 12.446 1.00 0.00 N ATOM 471 CA TYR A 32 -0.733 -3.385 12.386 1.00 0.00 C ATOM 472 C TYR A 32 -0.285 -2.280 11.420 1.00 0.00 C ATOM 473 O TYR A 32 0.595 -2.464 10.599 1.00 0.00 O ATOM 474 CB TYR A 32 -0.315 -4.799 11.923 1.00 0.00 C ATOM 475 CG TYR A 32 -0.645 -5.064 10.465 1.00 0.00 C ATOM 476 CD1 TYR A 32 -1.942 -4.872 9.959 1.00 0.00 C ATOM 477 CD2 TYR A 32 0.366 -5.526 9.620 1.00 0.00 C ATOM 478 CE1 TYR A 32 -2.213 -5.139 8.613 1.00 0.00 C ATOM 479 CE2 TYR A 32 0.094 -5.792 8.275 1.00 0.00 C ATOM 480 CZ TYR A 32 -1.195 -5.599 7.770 1.00 0.00 C ATOM 481 OH TYR A 32 -1.462 -5.864 6.442 1.00 0.00 O ATOM 0 H TYR A 32 -2.696 -3.044 11.624 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.264 -3.152 13.342 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.757 -4.924 12.076 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.815 -5.542 12.544 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.729 -4.519 10.609 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.363 -5.678 10.007 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.209 -4.990 8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.880 -6.147 7.625 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.124 -5.224 6.107 1.00 0.00 H new ATOM 491 N HIS A 33 -0.915 -1.123 11.527 1.00 0.00 N ATOM 492 CA HIS A 33 -0.588 0.046 10.641 1.00 0.00 C ATOM 493 C HIS A 33 -0.810 -0.301 9.157 1.00 0.00 C ATOM 494 O HIS A 33 -0.419 0.445 8.280 1.00 0.00 O ATOM 495 CB HIS A 33 0.887 0.377 10.912 1.00 0.00 C ATOM 496 CG HIS A 33 1.068 0.788 12.350 1.00 0.00 C ATOM 497 ND1 HIS A 33 1.116 2.117 12.742 1.00 0.00 N ATOM 498 CD2 HIS A 33 1.219 0.054 13.501 1.00 0.00 C ATOM 499 CE1 HIS A 33 1.289 2.141 14.076 1.00 0.00 C ATOM 500 NE2 HIS A 33 1.358 0.909 14.589 1.00 0.00 N ATOM 0 H HIS A 33 -1.655 -0.941 12.205 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.235 0.897 10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.509 -0.491 10.692 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.215 1.180 10.252 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.228 -1.025 13.553 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.363 3.046 14.661 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.485 0.651 15.568 1.00 0.00 H new ATOM 508 N CYS A 34 -1.444 -1.421 8.876 1.00 0.00 N ATOM 509 CA CYS A 34 -1.711 -1.837 7.462 1.00 0.00 C ATOM 510 C CYS A 34 -0.430 -1.782 6.607 1.00 0.00 C ATOM 511 O CYS A 34 -0.207 -0.840 5.866 1.00 0.00 O ATOM 512 CB CYS A 34 -2.755 -0.855 6.931 1.00 0.00 C ATOM 513 SG CYS A 34 -4.087 -0.649 8.140 1.00 0.00 S ATOM 0 H CYS A 34 -1.792 -2.072 9.580 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.063 -2.868 7.417 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.288 0.108 6.725 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.162 -1.220 5.988 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.967 0.189 7.678 1.00 0.00 H new ATOM 519 N GLN A 35 0.403 -2.788 6.699 1.00 0.00 N ATOM 520 CA GLN A 35 1.664 -2.805 5.888 1.00 0.00 C ATOM 521 C GLN A 35 1.458 -3.579 4.579 1.00 0.00 C ATOM 522 O GLN A 35 2.100 -3.296 3.588 1.00 0.00 O ATOM 523 CB GLN A 35 2.708 -3.507 6.763 1.00 0.00 C ATOM 524 CG GLN A 35 2.898 -2.741 8.075 1.00 0.00 C ATOM 525 CD GLN A 35 3.160 -1.260 7.791 1.00 0.00 C ATOM 526 OE1 GLN A 35 2.295 -0.376 8.190 1.00 0.00 O flip ATOM 527 NE2 GLN A 35 4.161 -0.906 7.202 1.00 0.00 N flip ATOM 0 H GLN A 35 0.266 -3.600 7.301 1.00 0.00 H new ATOM 0 HA GLN A 35 1.976 -1.797 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.390 -4.528 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.657 -3.571 6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.010 -2.847 8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.732 -3.164 8.634 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.840 -1.599 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.323 0.085 7.021 1.00 0.00 H new ATOM 536 N VAL A 36 0.571 -4.553 4.568 1.00 0.00 N ATOM 537 CA VAL A 36 0.319 -5.350 3.319 1.00 0.00 C ATOM 538 C VAL A 36 1.632 -5.953 2.790 1.00 0.00 C ATOM 539 O VAL A 36 2.174 -5.492 1.801 1.00 0.00 O ATOM 540 CB VAL A 36 -0.274 -4.350 2.311 1.00 0.00 C ATOM 541 CG1 VAL A 36 -0.718 -5.038 1.015 1.00 0.00 C ATOM 542 CG2 VAL A 36 -1.456 -3.537 2.851 1.00 0.00 C ATOM 0 H VAL A 36 0.010 -4.830 5.373 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.356 -6.187 3.497 1.00 0.00 H new ATOM 0 HB VAL A 36 0.546 -3.660 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.130 -4.296 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.139 -5.524 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.479 -5.785 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.814 -2.857 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.261 -4.213 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.135 -2.962 3.720 1.00 0.00 H new ATOM 552 N CYS A 37 2.136 -6.980 3.452 1.00 0.00 N ATOM 553 CA CYS A 37 3.419 -7.651 3.030 1.00 0.00 C ATOM 554 C CYS A 37 4.392 -6.650 2.386 1.00 0.00 C ATOM 555 O CYS A 37 4.701 -6.726 1.209 1.00 0.00 O ATOM 556 CB CYS A 37 3.006 -8.754 2.039 1.00 0.00 C ATOM 557 SG CYS A 37 2.174 -8.047 0.593 1.00 0.00 S ATOM 0 H CYS A 37 1.704 -7.387 4.281 1.00 0.00 H new ATOM 0 HA CYS A 37 3.951 -8.066 3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.887 -9.310 1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.343 -9.463 2.534 1.00 0.00 H new ATOM 0 HG CYS A 37 2.224 -6.749 0.655 1.00 0.00 H new ATOM 563 N PHE A 38 4.859 -5.698 3.155 1.00 0.00 N ATOM 564 CA PHE A 38 5.791 -4.665 2.599 1.00 0.00 C ATOM 565 C PHE A 38 7.275 -5.096 2.692 1.00 0.00 C ATOM 566 O PHE A 38 7.611 -6.225 2.392 1.00 0.00 O ATOM 567 CB PHE A 38 5.492 -3.376 3.394 1.00 0.00 C ATOM 568 CG PHE A 38 5.997 -3.402 4.829 1.00 0.00 C ATOM 569 CD1 PHE A 38 6.233 -4.609 5.507 1.00 0.00 C ATOM 570 CD2 PHE A 38 6.219 -2.186 5.486 1.00 0.00 C ATOM 571 CE1 PHE A 38 6.688 -4.588 6.827 1.00 0.00 C ATOM 572 CE2 PHE A 38 6.673 -2.171 6.805 1.00 0.00 C ATOM 573 CZ PHE A 38 6.906 -3.371 7.474 1.00 0.00 C ATOM 0 H PHE A 38 4.636 -5.590 4.144 1.00 0.00 H new ATOM 0 HA PHE A 38 5.630 -4.515 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.943 -2.529 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.415 -3.208 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.063 -5.552 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.038 -1.255 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.872 -5.516 7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.844 -1.230 7.307 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.256 -3.359 8.496 1.00 0.00 H new ATOM 583 N ILE A 39 8.164 -4.191 3.044 1.00 0.00 N ATOM 584 CA ILE A 39 9.635 -4.519 3.090 1.00 0.00 C ATOM 585 C ILE A 39 9.974 -5.668 4.062 1.00 0.00 C ATOM 586 O ILE A 39 10.841 -6.474 3.777 1.00 0.00 O ATOM 587 CB ILE A 39 10.334 -3.218 3.532 1.00 0.00 C ATOM 588 CG1 ILE A 39 9.739 -2.699 4.848 1.00 0.00 C ATOM 589 CG2 ILE A 39 10.159 -2.146 2.452 1.00 0.00 C ATOM 590 CD1 ILE A 39 10.798 -1.898 5.607 1.00 0.00 C ATOM 0 H ILE A 39 7.934 -3.232 3.304 1.00 0.00 H new ATOM 0 HA ILE A 39 9.968 -4.868 2.113 1.00 0.00 H new ATOM 0 HB ILE A 39 11.392 -3.433 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.871 -2.072 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.394 -3.534 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.654 -1.228 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.601 -2.494 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.097 -1.952 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.375 -1.530 6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.653 -2.539 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.122 -1.054 4.998 1.00 0.00 H new ATOM 602 N THR A 40 9.329 -5.749 5.198 1.00 0.00 N ATOM 603 CA THR A 40 9.653 -6.845 6.167 1.00 0.00 C ATOM 604 C THR A 40 8.466 -7.804 6.307 1.00 0.00 C ATOM 605 O THR A 40 7.319 -7.405 6.235 1.00 0.00 O ATOM 606 CB THR A 40 9.929 -6.122 7.495 1.00 0.00 C ATOM 607 OG1 THR A 40 10.933 -5.133 7.294 1.00 0.00 O ATOM 608 CG2 THR A 40 10.401 -7.119 8.560 1.00 0.00 C ATOM 0 H THR A 40 8.595 -5.108 5.498 1.00 0.00 H new ATOM 0 HA THR A 40 10.502 -7.448 5.844 1.00 0.00 H new ATOM 0 HB THR A 40 9.008 -5.651 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.039 -4.603 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.592 -6.590 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.630 -7.872 8.720 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.317 -7.604 8.224 1.00 0.00 H new ATOM 616 N LYS A 41 8.737 -9.071 6.505 1.00 0.00 N ATOM 617 CA LYS A 41 7.627 -10.066 6.652 1.00 0.00 C ATOM 618 C LYS A 41 6.953 -9.951 8.024 1.00 0.00 C ATOM 619 O LYS A 41 5.936 -10.572 8.271 1.00 0.00 O ATOM 620 CB LYS A 41 8.285 -11.434 6.464 1.00 0.00 C ATOM 621 CG LYS A 41 8.770 -11.560 5.012 1.00 0.00 C ATOM 622 CD LYS A 41 7.595 -11.338 4.046 1.00 0.00 C ATOM 623 CE LYS A 41 7.503 -9.850 3.672 1.00 0.00 C ATOM 624 NZ LYS A 41 6.039 -9.575 3.557 1.00 0.00 N ATOM 0 H LYS A 41 9.678 -9.460 6.571 1.00 0.00 H new ATOM 0 HA LYS A 41 6.835 -9.898 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.123 -11.547 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.575 -12.228 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.555 -10.829 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.205 -12.546 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.732 -11.940 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.664 -11.664 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.965 -9.222 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.019 -9.645 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.871 -8.908 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.533 -10.463 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.692 -9.162 4.446 1.00 0.00 H new ATOM 638 N GLY A 42 7.491 -9.144 8.910 1.00 0.00 N ATOM 639 CA GLY A 42 6.860 -8.971 10.248 1.00 0.00 C ATOM 640 C GLY A 42 5.619 -8.070 10.123 1.00 0.00 C ATOM 641 O GLY A 42 4.914 -7.862 11.083 1.00 0.00 O ATOM 0 H GLY A 42 8.340 -8.600 8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.577 -9.942 10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.574 -8.529 10.943 1.00 0.00 H new ATOM 645 N LEU A 43 5.347 -7.539 8.944 1.00 0.00 N ATOM 646 CA LEU A 43 4.149 -6.655 8.747 1.00 0.00 C ATOM 647 C LEU A 43 4.275 -5.363 9.564 1.00 0.00 C ATOM 648 O LEU A 43 3.302 -4.845 10.080 1.00 0.00 O ATOM 649 CB LEU A 43 2.942 -7.477 9.211 1.00 0.00 C ATOM 650 CG LEU A 43 2.915 -8.828 8.494 1.00 0.00 C ATOM 651 CD1 LEU A 43 1.661 -9.486 9.073 1.00 0.00 C ATOM 652 CD2 LEU A 43 2.926 -8.624 6.977 1.00 0.00 C ATOM 0 H LEU A 43 5.911 -7.684 8.106 1.00 0.00 H new ATOM 0 HA LEU A 43 4.050 -6.350 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.990 -7.630 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.021 -6.931 9.007 1.00 0.00 H new ATOM 0 HG LEU A 43 3.783 -9.468 8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.531 -10.474 8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.767 -9.583 10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.790 -8.871 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.907 -9.594 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.050 -8.047 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.829 -8.086 6.689 1.00 0.00 H new ATOM 664 N GLY A 44 5.467 -4.835 9.672 1.00 0.00 N ATOM 665 CA GLY A 44 5.677 -3.564 10.440 1.00 0.00 C ATOM 666 C GLY A 44 5.155 -3.693 11.874 1.00 0.00 C ATOM 667 O GLY A 44 4.788 -2.715 12.494 1.00 0.00 O ATOM 0 H GLY A 44 6.312 -5.230 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.739 -3.317 10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.167 -2.743 9.937 1.00 0.00 H new ATOM 671 N ILE A 45 5.113 -4.887 12.405 1.00 0.00 N ATOM 672 CA ILE A 45 4.605 -5.061 13.803 1.00 0.00 C ATOM 673 C ILE A 45 5.572 -4.433 14.822 1.00 0.00 C ATOM 674 O ILE A 45 5.158 -3.656 15.661 1.00 0.00 O ATOM 675 CB ILE A 45 4.463 -6.576 14.028 1.00 0.00 C ATOM 676 CG1 ILE A 45 5.787 -7.292 13.717 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.336 -7.116 13.138 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.608 -8.809 13.822 1.00 0.00 C ATOM 0 H ILE A 45 5.406 -5.745 11.937 1.00 0.00 H new ATOM 0 HA ILE A 45 3.648 -4.557 13.940 1.00 0.00 H new ATOM 0 HB ILE A 45 4.216 -6.764 15.073 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.125 -7.027 12.715 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.559 -6.961 14.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.232 -8.190 13.294 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.400 -6.619 13.395 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.574 -6.923 12.092 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.554 -9.303 13.599 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.292 -9.069 14.832 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.851 -9.136 13.109 1.00 0.00 H new ATOM 690 N SER A 46 6.850 -4.754 14.758 1.00 0.00 N ATOM 691 CA SER A 46 7.822 -4.157 15.736 1.00 0.00 C ATOM 692 C SER A 46 9.278 -4.584 15.448 1.00 0.00 C ATOM 693 O SER A 46 10.105 -4.585 16.342 1.00 0.00 O ATOM 694 CB SER A 46 7.385 -4.690 17.107 1.00 0.00 C ATOM 695 OG SER A 46 7.683 -3.725 18.107 1.00 0.00 O ATOM 0 H SER A 46 7.256 -5.397 14.078 1.00 0.00 H new ATOM 0 HA SER A 46 7.810 -3.069 15.676 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.317 -4.906 17.102 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.898 -5.626 17.326 1.00 0.00 H new ATOM 0 HG SER A 46 7.403 -4.064 18.983 1.00 0.00 H new ATOM 701 N TYR A 47 9.614 -4.931 14.224 1.00 0.00 N ATOM 702 CA TYR A 47 11.029 -5.334 13.930 1.00 0.00 C ATOM 703 C TYR A 47 11.929 -4.092 13.802 1.00 0.00 C ATOM 704 O TYR A 47 13.118 -4.153 14.052 1.00 0.00 O ATOM 705 CB TYR A 47 10.976 -6.105 12.601 1.00 0.00 C ATOM 706 CG TYR A 47 10.568 -5.182 11.477 1.00 0.00 C ATOM 707 CD1 TYR A 47 11.510 -4.330 10.884 1.00 0.00 C ATOM 708 CD2 TYR A 47 9.246 -5.177 11.032 1.00 0.00 C ATOM 709 CE1 TYR A 47 11.124 -3.477 9.850 1.00 0.00 C ATOM 710 CE2 TYR A 47 8.861 -4.327 10.002 1.00 0.00 C ATOM 711 CZ TYR A 47 9.800 -3.473 9.408 1.00 0.00 C ATOM 712 OH TYR A 47 9.422 -2.627 8.388 1.00 0.00 O ATOM 0 H TYR A 47 8.978 -4.952 13.426 1.00 0.00 H new ATOM 0 HA TYR A 47 11.447 -5.945 14.730 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.951 -6.542 12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.268 -6.930 12.679 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.534 -4.334 11.227 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.521 -5.834 11.488 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.849 -2.820 9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.837 -4.325 9.659 1.00 0.00 H new ATOM 0 HH TYR A 47 8.877 -3.120 7.739 1.00 0.00 H new ATOM 722 N GLY A 48 11.369 -2.973 13.402 1.00 0.00 N ATOM 723 CA GLY A 48 12.182 -1.733 13.241 1.00 0.00 C ATOM 724 C GLY A 48 11.787 -1.040 11.938 1.00 0.00 C ATOM 725 O GLY A 48 12.595 -0.882 11.042 1.00 0.00 O ATOM 0 H GLY A 48 10.379 -2.870 13.180 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.019 -1.065 14.086 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.244 -1.979 13.229 1.00 0.00 H new ATOM 729 N ARG A 49 10.550 -0.618 11.826 1.00 0.00 N ATOM 730 CA ARG A 49 10.105 0.070 10.584 1.00 0.00 C ATOM 731 C ARG A 49 10.773 1.443 10.496 1.00 0.00 C ATOM 732 O ARG A 49 10.717 2.240 11.415 1.00 0.00 O ATOM 733 CB ARG A 49 8.591 0.200 10.709 1.00 0.00 C ATOM 734 CG ARG A 49 8.033 0.888 9.457 1.00 0.00 C ATOM 735 CD ARG A 49 6.571 1.282 9.683 1.00 0.00 C ATOM 736 NE ARG A 49 5.916 0.023 10.138 1.00 0.00 N ATOM 737 CZ ARG A 49 5.102 0.038 11.163 1.00 0.00 C ATOM 738 NH1 ARG A 49 5.450 0.645 12.272 1.00 0.00 N ATOM 739 NH2 ARG A 49 3.942 -0.556 11.084 1.00 0.00 N ATOM 0 H ARG A 49 9.833 -0.723 12.544 1.00 0.00 H new ATOM 0 HA ARG A 49 10.375 -0.477 9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.139 -0.785 10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.337 0.777 11.598 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.625 1.773 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.110 0.219 8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.482 2.069 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.115 1.659 8.768 1.00 0.00 H new ATOM 0 HE ARG A 49 6.103 -0.853 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.357 1.107 12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.814 0.655 13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.670 -1.032 10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.308 -0.544 11.883 1.00 0.00 H new ATOM 753 N LYS A 50 11.420 1.699 9.398 1.00 0.00 N ATOM 754 CA LYS A 50 12.135 3.001 9.207 1.00 0.00 C ATOM 755 C LYS A 50 11.169 4.193 9.248 1.00 0.00 C ATOM 756 O LYS A 50 11.508 5.240 9.765 1.00 0.00 O ATOM 757 CB LYS A 50 12.832 2.900 7.838 1.00 0.00 C ATOM 758 CG LYS A 50 11.889 2.320 6.763 1.00 0.00 C ATOM 759 CD LYS A 50 12.249 0.854 6.448 1.00 0.00 C ATOM 760 CE LYS A 50 13.764 0.633 6.535 1.00 0.00 C ATOM 761 NZ LYS A 50 13.987 -0.691 5.887 1.00 0.00 N ATOM 0 H LYS A 50 11.489 1.056 8.609 1.00 0.00 H new ATOM 0 HA LYS A 50 12.850 3.174 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.173 3.888 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.717 2.270 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.857 2.379 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.955 2.918 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.740 0.192 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.896 0.595 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.310 1.424 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.106 0.631 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.001 -0.919 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.458 -1.423 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.657 -0.655 4.901 1.00 0.00 H new ATOM 775 N LYS A 51 9.975 4.045 8.717 1.00 0.00 N ATOM 776 CA LYS A 51 8.990 5.181 8.730 1.00 0.00 C ATOM 777 C LYS A 51 7.701 4.786 7.980 1.00 0.00 C ATOM 778 O LYS A 51 7.022 3.855 8.366 1.00 0.00 O ATOM 779 CB LYS A 51 9.699 6.363 8.044 1.00 0.00 C ATOM 780 CG LYS A 51 10.405 5.894 6.768 1.00 0.00 C ATOM 781 CD LYS A 51 11.013 7.101 6.059 1.00 0.00 C ATOM 782 CE LYS A 51 11.330 6.725 4.611 1.00 0.00 C ATOM 783 NZ LYS A 51 12.387 7.695 4.199 1.00 0.00 N ATOM 0 H LYS A 51 9.640 3.189 8.276 1.00 0.00 H new ATOM 0 HA LYS A 51 8.688 5.444 9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.973 7.139 7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.424 6.806 8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.183 5.171 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.697 5.390 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.319 7.941 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.920 7.420 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.683 5.697 4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.447 6.806 3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.665 7.508 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.018 8.664 4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.216 7.589 4.818 1.00 0.00 H new ATOM 797 N ARG A 52 7.355 5.485 6.920 1.00 0.00 N ATOM 798 CA ARG A 52 6.110 5.146 6.163 1.00 0.00 C ATOM 799 C ARG A 52 6.349 3.998 5.192 1.00 0.00 C ATOM 800 O ARG A 52 5.421 3.311 4.809 1.00 0.00 O ATOM 801 CB ARG A 52 5.747 6.418 5.397 1.00 0.00 C ATOM 802 CG ARG A 52 4.983 7.377 6.316 1.00 0.00 C ATOM 803 CD ARG A 52 5.959 8.378 6.944 1.00 0.00 C ATOM 804 NE ARG A 52 6.506 9.144 5.784 1.00 0.00 N ATOM 805 CZ ARG A 52 7.280 10.177 5.988 1.00 0.00 C ATOM 806 NH1 ARG A 52 6.853 11.185 6.704 1.00 0.00 N ATOM 807 NH2 ARG A 52 8.481 10.201 5.472 1.00 0.00 N ATOM 0 H ARG A 52 7.883 6.275 6.549 1.00 0.00 H new ATOM 0 HA ARG A 52 5.314 4.823 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.651 6.900 5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.137 6.169 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.218 7.907 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.470 6.816 7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.453 9.036 7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.751 7.869 7.493 1.00 0.00 H new ATOM 0 HE ARG A 52 6.275 8.860 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.915 11.165 7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.458 11.991 6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.811 9.415 4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.088 11.006 5.629 1.00 0.00 H new ATOM 821 N ARG A 53 7.575 3.802 4.770 1.00 0.00 N ATOM 822 CA ARG A 53 7.886 2.714 3.796 1.00 0.00 C ATOM 823 C ARG A 53 7.214 2.991 2.438 1.00 0.00 C ATOM 824 O ARG A 53 7.410 2.250 1.497 1.00 0.00 O ATOM 825 CB ARG A 53 7.362 1.415 4.429 1.00 0.00 C ATOM 826 CG ARG A 53 7.678 0.223 3.519 1.00 0.00 C ATOM 827 CD ARG A 53 6.435 -0.146 2.701 1.00 0.00 C ATOM 828 NE ARG A 53 6.978 -0.869 1.513 1.00 0.00 N ATOM 829 CZ ARG A 53 7.178 -0.230 0.389 1.00 0.00 C ATOM 830 NH1 ARG A 53 6.165 0.268 -0.273 1.00 0.00 N ATOM 831 NH2 ARG A 53 8.391 -0.081 -0.068 1.00 0.00 N ATOM 0 H ARG A 53 8.380 4.356 5.063 1.00 0.00 H new ATOM 0 HA ARG A 53 8.956 2.645 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.819 1.267 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.286 1.487 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.504 0.471 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.997 -0.630 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.754 -0.776 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.875 0.741 2.405 1.00 0.00 H new ATOM 0 HE ARG A 53 7.194 -1.864 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.217 0.158 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.323 0.766 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.182 -0.463 0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.548 0.417 -0.944 1.00 0.00 H new ATOM 845 N GLN A 54 6.456 4.066 2.300 1.00 0.00 N ATOM 846 CA GLN A 54 5.836 4.356 0.978 1.00 0.00 C ATOM 847 C GLN A 54 6.965 4.499 -0.045 1.00 0.00 C ATOM 848 O GLN A 54 6.940 3.884 -1.092 1.00 0.00 O ATOM 849 CB GLN A 54 5.050 5.669 1.153 1.00 0.00 C ATOM 850 CG GLN A 54 5.990 6.817 1.547 1.00 0.00 C ATOM 851 CD GLN A 54 5.222 7.925 2.274 1.00 0.00 C ATOM 852 OE1 GLN A 54 4.072 7.761 2.633 1.00 0.00 O ATOM 853 NE2 GLN A 54 5.825 9.057 2.510 1.00 0.00 N ATOM 0 H GLN A 54 6.249 4.738 3.039 1.00 0.00 H new ATOM 0 HA GLN A 54 5.164 3.572 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.535 5.917 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.284 5.541 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.785 6.438 2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.467 7.224 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.790 9.193 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.332 9.806 2.996 1.00 0.00 H new ATOM 862 N ARG A 55 7.980 5.272 0.294 1.00 0.00 N ATOM 863 CA ARG A 55 9.164 5.452 -0.600 1.00 0.00 C ATOM 864 C ARG A 55 8.730 5.621 -2.070 1.00 0.00 C ATOM 865 O ARG A 55 9.437 5.256 -2.990 1.00 0.00 O ATOM 866 CB ARG A 55 9.988 4.178 -0.371 1.00 0.00 C ATOM 867 CG ARG A 55 10.068 3.888 1.146 1.00 0.00 C ATOM 868 CD ARG A 55 10.682 2.505 1.372 1.00 0.00 C ATOM 869 NE ARG A 55 11.259 2.575 2.746 1.00 0.00 N ATOM 870 CZ ARG A 55 12.323 1.876 3.044 1.00 0.00 C ATOM 871 NH1 ARG A 55 12.363 0.596 2.773 1.00 0.00 N ATOM 872 NH2 ARG A 55 13.347 2.456 3.617 1.00 0.00 N ATOM 0 H ARG A 55 8.031 5.792 1.170 1.00 0.00 H new ATOM 0 HA ARG A 55 9.738 6.352 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.530 3.336 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.990 4.300 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.670 4.650 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.073 3.932 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.930 1.719 1.296 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.449 2.285 0.630 1.00 0.00 H new ATOM 0 HE ARG A 55 10.824 3.168 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.564 0.143 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.193 0.051 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.315 3.453 3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.177 1.911 3.850 1.00 0.00 H new ATOM 886 N ARG A 56 7.562 6.189 -2.273 1.00 0.00 N ATOM 887 CA ARG A 56 7.024 6.425 -3.649 1.00 0.00 C ATOM 888 C ARG A 56 5.728 7.248 -3.541 1.00 0.00 C ATOM 889 O ARG A 56 4.783 7.047 -4.280 1.00 0.00 O ATOM 890 CB ARG A 56 6.744 5.032 -4.229 1.00 0.00 C ATOM 891 CG ARG A 56 5.488 4.437 -3.585 1.00 0.00 C ATOM 892 CD ARG A 56 5.602 2.913 -3.561 1.00 0.00 C ATOM 893 NE ARG A 56 4.941 2.477 -4.827 1.00 0.00 N ATOM 894 CZ ARG A 56 4.875 1.206 -5.133 1.00 0.00 C ATOM 895 NH1 ARG A 56 4.529 0.329 -4.225 1.00 0.00 N ATOM 896 NH2 ARG A 56 5.147 0.817 -6.351 1.00 0.00 N ATOM 0 H ARG A 56 6.947 6.505 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 56 7.716 6.977 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.612 5.099 -5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.598 4.378 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.370 4.820 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.602 4.737 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.643 2.592 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.107 2.490 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 56 4.539 3.172 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.310 0.636 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.478 -0.661 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.410 1.503 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.097 -0.172 -6.594 1.00 0.00 H new ATOM 910 N ARG A 57 5.689 8.170 -2.607 1.00 0.00 N ATOM 911 CA ARG A 57 4.474 9.020 -2.407 1.00 0.00 C ATOM 912 C ARG A 57 4.030 9.700 -3.720 1.00 0.00 C ATOM 913 O ARG A 57 2.850 9.729 -4.009 1.00 0.00 O ATOM 914 CB ARG A 57 4.899 10.053 -1.356 1.00 0.00 C ATOM 915 CG ARG A 57 3.747 11.017 -1.071 1.00 0.00 C ATOM 916 CD ARG A 57 2.840 10.422 0.008 1.00 0.00 C ATOM 917 NE ARG A 57 1.998 11.572 0.446 1.00 0.00 N ATOM 918 CZ ARG A 57 2.260 12.185 1.570 1.00 0.00 C ATOM 919 NH1 ARG A 57 1.828 11.691 2.702 1.00 0.00 N ATOM 920 NH2 ARG A 57 2.954 13.293 1.562 1.00 0.00 N ATOM 0 H ARG A 57 6.458 8.371 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 57 3.613 8.434 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.196 9.547 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.768 10.607 -1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.137 11.980 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.176 11.198 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.231 9.609 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.420 10.013 0.836 1.00 0.00 H new ATOM 0 HE ARG A 57 1.217 11.881 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.286 10.827 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.033 12.170 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.290 13.678 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.159 13.773 2.439 1.00 0.00 H new ATOM 934 N PRO A 58 4.976 10.221 -4.482 1.00 0.00 N ATOM 935 CA PRO A 58 4.624 10.885 -5.767 1.00 0.00 C ATOM 936 C PRO A 58 4.098 9.868 -6.800 1.00 0.00 C ATOM 937 O PRO A 58 3.488 10.245 -7.783 1.00 0.00 O ATOM 938 CB PRO A 58 5.941 11.504 -6.228 1.00 0.00 C ATOM 939 CG PRO A 58 6.993 10.675 -5.565 1.00 0.00 C ATOM 940 CD PRO A 58 6.428 10.245 -4.236 1.00 0.00 C ATOM 0 HA PRO A 58 3.828 11.620 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.036 11.473 -7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.014 12.550 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.247 9.809 -6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.910 11.249 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.802 9.266 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.691 10.943 -3.441 1.00 0.00 H new ATOM 948 N SER A 59 4.323 8.589 -6.588 1.00 0.00 N ATOM 949 CA SER A 59 3.828 7.565 -7.559 1.00 0.00 C ATOM 950 C SER A 59 2.379 7.178 -7.230 1.00 0.00 C ATOM 951 O SER A 59 2.094 6.651 -6.172 1.00 0.00 O ATOM 952 CB SER A 59 4.760 6.361 -7.388 1.00 0.00 C ATOM 953 OG SER A 59 6.076 6.716 -7.790 1.00 0.00 O ATOM 0 H SER A 59 4.828 8.214 -5.785 1.00 0.00 H new ATOM 0 HA SER A 59 3.833 7.936 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.762 6.035 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.400 5.522 -7.984 1.00 0.00 H new ATOM 0 HG SER A 59 6.671 5.945 -7.678 1.00 0.00 H new ATOM 959 N GLN A 60 1.466 7.439 -8.136 1.00 0.00 N ATOM 960 CA GLN A 60 0.029 7.096 -7.902 1.00 0.00 C ATOM 961 C GLN A 60 -0.651 6.716 -9.221 1.00 0.00 C ATOM 962 O GLN A 60 -1.824 6.971 -9.425 1.00 0.00 O ATOM 963 CB GLN A 60 -0.595 8.363 -7.326 1.00 0.00 C ATOM 964 CG GLN A 60 -0.470 8.320 -5.808 1.00 0.00 C ATOM 965 CD GLN A 60 -0.843 9.685 -5.220 1.00 0.00 C ATOM 966 OE1 GLN A 60 -1.985 10.094 -5.276 1.00 0.00 O ATOM 967 NE2 GLN A 60 0.081 10.412 -4.650 1.00 0.00 N ATOM 0 H GLN A 60 1.659 7.879 -9.036 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.084 6.245 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.093 9.246 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.643 8.435 -7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.123 7.548 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.549 8.057 -5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.041 10.071 -4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.158 11.321 -4.253 1.00 0.00 H new ATOM 976 N GLY A 61 0.080 6.101 -10.112 1.00 0.00 N ATOM 977 CA GLY A 61 -0.510 5.688 -11.422 1.00 0.00 C ATOM 978 C GLY A 61 -1.317 4.408 -11.210 1.00 0.00 C ATOM 979 O GLY A 61 -0.800 3.314 -11.331 1.00 0.00 O ATOM 0 H GLY A 61 1.065 5.865 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.150 6.478 -11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.278 5.521 -12.156 1.00 0.00 H new ATOM 983 N GLY A 62 -2.575 4.544 -10.865 1.00 0.00 N ATOM 984 CA GLY A 62 -3.419 3.341 -10.606 1.00 0.00 C ATOM 985 C GLY A 62 -2.821 2.577 -9.420 1.00 0.00 C ATOM 986 O GLY A 62 -2.933 1.369 -9.329 1.00 0.00 O ATOM 0 H GLY A 62 -3.052 5.439 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.445 3.637 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.452 2.704 -11.490 1.00 0.00 H new ATOM 990 N GLN A 63 -2.167 3.278 -8.520 1.00 0.00 N ATOM 991 CA GLN A 63 -1.535 2.607 -7.351 1.00 0.00 C ATOM 992 C GLN A 63 -2.553 2.315 -6.254 1.00 0.00 C ATOM 993 O GLN A 63 -2.445 1.321 -5.564 1.00 0.00 O ATOM 994 CB GLN A 63 -0.506 3.607 -6.828 1.00 0.00 C ATOM 995 CG GLN A 63 0.631 3.772 -7.835 1.00 0.00 C ATOM 996 CD GLN A 63 1.909 3.120 -7.295 1.00 0.00 C ATOM 997 OE1 GLN A 63 1.824 2.075 -6.516 1.00 0.00 O flip ATOM 998 NE2 GLN A 63 3.000 3.570 -7.586 1.00 0.00 N flip ATOM 0 H GLN A 63 -2.047 4.290 -8.551 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.098 1.651 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.984 4.570 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.108 3.264 -5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.354 3.317 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.806 4.830 -8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.069 4.386 -8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.846 3.132 -7.222 1.00 0.00 H new ATOM 1007 N THR A 64 -3.510 3.196 -6.048 1.00 0.00 N ATOM 1008 CA THR A 64 -4.490 2.981 -4.937 1.00 0.00 C ATOM 1009 C THR A 64 -3.686 2.659 -3.674 1.00 0.00 C ATOM 1010 O THR A 64 -3.855 1.635 -3.037 1.00 0.00 O ATOM 1011 CB THR A 64 -5.358 1.804 -5.365 1.00 0.00 C ATOM 1012 OG1 THR A 64 -6.129 2.176 -6.503 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.294 1.400 -4.223 1.00 0.00 C ATOM 0 H THR A 64 -3.651 4.044 -6.596 1.00 0.00 H new ATOM 0 HA THR A 64 -5.120 3.847 -4.732 1.00 0.00 H new ATOM 0 HB THR A 64 -4.717 0.958 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.197 1.414 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.910 0.558 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.704 1.112 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.935 2.242 -3.963 1.00 0.00 H new ATOM 1021 N HIS A 65 -2.781 3.536 -3.349 1.00 0.00 N ATOM 1022 CA HIS A 65 -1.899 3.330 -2.165 1.00 0.00 C ATOM 1023 C HIS A 65 -2.723 3.370 -0.868 1.00 0.00 C ATOM 1024 O HIS A 65 -3.923 3.579 -0.887 1.00 0.00 O ATOM 1025 CB HIS A 65 -0.920 4.505 -2.218 1.00 0.00 C ATOM 1026 CG HIS A 65 0.350 4.118 -2.926 1.00 0.00 C ATOM 1027 ND1 HIS A 65 1.283 3.141 -2.685 1.00 0.00 N flip ATOM 1028 CD2 HIS A 65 0.804 4.805 -4.040 1.00 0.00 C flip ATOM 1029 CE1 HIS A 65 2.300 3.220 -3.629 1.00 0.00 C flip ATOM 1030 NE2 HIS A 65 1.961 4.239 -4.421 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.611 4.402 -3.861 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.393 2.364 -2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.384 5.347 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.689 4.837 -1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.316 5.643 -4.516 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.176 2.592 -3.705 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.514 4.551 -5.220 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.090 3.141 0.252 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.829 3.135 1.544 1.00 0.00 C ATOM 1040 C GLN A 66 -2.191 4.107 2.535 1.00 0.00 C ATOM 1041 O GLN A 66 -2.846 4.979 3.069 1.00 0.00 O ATOM 1042 CB GLN A 66 -2.719 1.697 2.053 1.00 0.00 C ATOM 1043 CG GLN A 66 -3.551 0.768 1.164 1.00 0.00 C ATOM 1044 CD GLN A 66 -2.629 -0.203 0.413 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.973 0.212 -0.641 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -2.505 -1.351 0.789 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.089 2.957 0.326 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.866 3.450 1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.676 1.380 2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.068 1.638 3.084 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.263 0.210 1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.131 1.355 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.015 -1.677 1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.891 -1.990 0.284 1.00 0.00 H new ATOM 1055 N ASP A 67 -0.921 3.952 2.793 1.00 0.00 N ATOM 1056 CA ASP A 67 -0.230 4.853 3.760 1.00 0.00 C ATOM 1057 C ASP A 67 0.162 6.208 3.124 1.00 0.00 C ATOM 1058 O ASP A 67 0.028 7.233 3.766 1.00 0.00 O ATOM 1059 CB ASP A 67 1.016 4.074 4.192 1.00 0.00 C ATOM 1060 CG ASP A 67 1.880 4.936 5.117 1.00 0.00 C ATOM 1061 OD1 ASP A 67 1.469 5.159 6.245 1.00 0.00 O ATOM 1062 OD2 ASP A 67 2.938 5.357 4.680 1.00 0.00 O ATOM 0 H ASP A 67 -0.329 3.236 2.373 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.880 5.108 4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.722 3.158 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.592 3.778 3.315 1.00 0.00 H new ATOM 1067 N PRO A 68 0.663 6.183 1.901 1.00 0.00 N ATOM 1068 CA PRO A 68 1.095 7.442 1.237 1.00 0.00 C ATOM 1069 C PRO A 68 -0.081 8.302 0.726 1.00 0.00 C ATOM 1070 O PRO A 68 -0.021 9.513 0.812 1.00 0.00 O ATOM 1071 CB PRO A 68 1.964 6.964 0.079 1.00 0.00 C ATOM 1072 CG PRO A 68 1.493 5.575 -0.218 1.00 0.00 C ATOM 1073 CD PRO A 68 0.882 5.008 1.041 1.00 0.00 C ATOM 0 HA PRO A 68 1.618 8.096 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.853 7.612 -0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.020 6.972 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.761 5.586 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.325 4.954 -0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.053 4.489 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.547 4.286 1.516 1.00 0.00 H new ATOM 1081 N ILE A 69 -1.137 7.723 0.181 1.00 0.00 N ATOM 1082 CA ILE A 69 -2.258 8.591 -0.334 1.00 0.00 C ATOM 1083 C ILE A 69 -3.636 8.175 0.255 1.00 0.00 C ATOM 1084 O ILE A 69 -4.627 8.111 -0.449 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.188 8.488 -1.897 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -3.212 7.502 -2.491 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -0.783 8.052 -2.340 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -3.228 6.187 -1.713 1.00 0.00 C ATOM 0 H ILE A 69 -1.269 6.717 0.073 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.146 9.628 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.426 9.484 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.205 7.950 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.969 7.307 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.749 7.985 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.051 8.783 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.551 7.078 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.960 5.511 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.240 5.728 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.495 6.382 -0.674 1.00 0.00 H new ATOM 1100 N PRO A 70 -3.666 7.941 1.554 1.00 0.00 N ATOM 1101 CA PRO A 70 -4.937 7.550 2.237 1.00 0.00 C ATOM 1102 C PRO A 70 -5.983 8.674 2.170 1.00 0.00 C ATOM 1103 O PRO A 70 -7.144 8.467 2.470 1.00 0.00 O ATOM 1104 CB PRO A 70 -4.506 7.303 3.681 1.00 0.00 C ATOM 1105 CG PRO A 70 -3.259 8.112 3.832 1.00 0.00 C ATOM 1106 CD PRO A 70 -2.552 8.033 2.507 1.00 0.00 C ATOM 0 HA PRO A 70 -5.408 6.683 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.274 7.620 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.320 6.245 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.493 9.145 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.633 7.718 4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.934 8.912 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.896 7.164 2.449 1.00 0.00 H new ATOM 1114 N LYS A 71 -5.578 9.859 1.785 1.00 0.00 N ATOM 1115 CA LYS A 71 -6.536 11.006 1.700 1.00 0.00 C ATOM 1116 C LYS A 71 -7.660 10.719 0.689 1.00 0.00 C ATOM 1117 O LYS A 71 -8.775 11.175 0.861 1.00 0.00 O ATOM 1118 CB LYS A 71 -5.701 12.218 1.249 1.00 0.00 C ATOM 1119 CG LYS A 71 -4.810 11.858 0.048 1.00 0.00 C ATOM 1120 CD LYS A 71 -3.375 12.332 0.299 1.00 0.00 C ATOM 1121 CE LYS A 71 -2.772 11.578 1.491 1.00 0.00 C ATOM 1122 NZ LYS A 71 -1.350 12.026 1.534 1.00 0.00 N ATOM 0 H LYS A 71 -4.618 10.083 1.524 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.022 11.184 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.364 13.041 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.081 12.564 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.823 10.780 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.202 12.321 -0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.768 12.166 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.367 13.404 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.293 11.819 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.844 10.499 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.727 11.226 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.206 12.790 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.125 12.375 2.487 1.00 0.00 H new ATOM 1136 N GLN A 72 -7.382 9.982 -0.364 1.00 0.00 N ATOM 1137 CA GLN A 72 -8.448 9.691 -1.377 1.00 0.00 C ATOM 1138 C GLN A 72 -8.048 8.502 -2.260 1.00 0.00 C ATOM 1139 O GLN A 72 -6.966 7.963 -2.112 1.00 0.00 O ATOM 1140 CB GLN A 72 -8.584 10.974 -2.229 1.00 0.00 C ATOM 1141 CG GLN A 72 -7.292 11.809 -2.211 1.00 0.00 C ATOM 1142 CD GLN A 72 -6.350 11.351 -3.330 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -6.431 11.842 -4.439 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -5.451 10.430 -3.089 1.00 0.00 N ATOM 0 H GLN A 72 -6.469 9.573 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.390 9.426 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.829 10.704 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.411 11.575 -1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.531 12.865 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.798 11.707 -1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.381 10.017 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.821 10.126 -3.831 1.00 0.00 H new ATOM 1153 N PRO A 73 -8.929 8.138 -3.171 1.00 0.00 N ATOM 1154 CA PRO A 73 -8.640 7.015 -4.103 1.00 0.00 C ATOM 1155 C PRO A 73 -7.399 7.351 -4.944 1.00 0.00 C ATOM 1156 O PRO A 73 -6.683 6.470 -5.369 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.907 6.914 -4.945 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.519 8.274 -4.842 1.00 0.00 C ATOM 1159 CD PRO A 73 -10.251 8.727 -3.432 1.00 0.00 C ATOM 0 HA PRO A 73 -8.413 6.070 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.679 6.656 -5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.579 6.144 -4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.077 8.959 -5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.589 8.240 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.238 9.814 -3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.006 8.362 -2.735 1.00 0.00 H new ATOM 1167 N SER A 74 -7.131 8.633 -5.120 1.00 0.00 N ATOM 1168 CA SER A 74 -5.915 9.123 -5.854 1.00 0.00 C ATOM 1169 C SER A 74 -6.020 9.039 -7.383 1.00 0.00 C ATOM 1170 O SER A 74 -6.189 10.046 -8.041 1.00 0.00 O ATOM 1171 CB SER A 74 -4.728 8.308 -5.293 1.00 0.00 C ATOM 1172 OG SER A 74 -4.443 7.161 -6.082 1.00 0.00 O ATOM 0 H SER A 74 -7.729 9.382 -4.771 1.00 0.00 H new ATOM 0 HA SER A 74 -5.786 10.192 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.843 8.943 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.953 7.998 -4.272 1.00 0.00 H new ATOM 0 HG SER A 74 -5.009 6.415 -5.791 1.00 0.00 H new ATOM 1178 N SER A 75 -5.872 7.882 -7.960 1.00 0.00 N ATOM 1179 CA SER A 75 -5.908 7.781 -9.449 1.00 0.00 C ATOM 1180 C SER A 75 -7.304 7.395 -9.969 1.00 0.00 C ATOM 1181 O SER A 75 -7.540 7.365 -11.161 1.00 0.00 O ATOM 1182 CB SER A 75 -4.864 6.714 -9.754 1.00 0.00 C ATOM 1183 OG SER A 75 -5.412 5.423 -9.552 1.00 0.00 O ATOM 0 H SER A 75 -5.728 7.000 -7.468 1.00 0.00 H new ATOM 0 HA SER A 75 -5.696 8.730 -9.942 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.520 6.814 -10.784 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.994 6.852 -9.113 1.00 0.00 H new ATOM 0 HG SER A 75 -6.015 5.441 -8.780 1.00 0.00 H new ATOM 1189 N GLN A 76 -8.230 7.126 -9.085 1.00 0.00 N ATOM 1190 CA GLN A 76 -9.615 6.770 -9.510 1.00 0.00 C ATOM 1191 C GLN A 76 -10.391 8.049 -9.881 1.00 0.00 C ATOM 1192 O GLN A 76 -11.124 8.045 -10.839 1.00 0.00 O ATOM 1193 CB GLN A 76 -10.241 6.083 -8.296 1.00 0.00 C ATOM 1194 CG GLN A 76 -9.714 4.647 -8.189 1.00 0.00 C ATOM 1195 CD GLN A 76 -8.521 4.587 -7.228 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -7.329 4.922 -7.651 1.00 0.00 O flip ATOM 1197 NE2 GLN A 76 -8.674 4.228 -6.077 1.00 0.00 N flip ATOM 0 H GLN A 76 -8.083 7.138 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.631 6.122 -10.387 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.002 6.637 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.327 6.077 -8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.507 3.987 -7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.415 4.288 -9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.602 3.966 -5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.875 4.189 -5.445 1.00 0.00 H new ATOM 1206 N PRO A 77 -10.191 9.126 -9.134 1.00 0.00 N ATOM 1207 CA PRO A 77 -10.889 10.393 -9.466 1.00 0.00 C ATOM 1208 C PRO A 77 -10.216 11.073 -10.675 1.00 0.00 C ATOM 1209 O PRO A 77 -10.547 12.189 -11.032 1.00 0.00 O ATOM 1210 CB PRO A 77 -10.735 11.237 -8.206 1.00 0.00 C ATOM 1211 CG PRO A 77 -9.503 10.712 -7.534 1.00 0.00 C ATOM 1212 CD PRO A 77 -9.323 9.273 -7.952 1.00 0.00 C ATOM 0 HA PRO A 77 -11.933 10.247 -9.742 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.631 12.294 -8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.607 11.143 -7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.632 11.303 -7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.599 10.785 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.282 9.056 -8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.615 8.588 -7.156 1.00 0.00 H new ATOM 1220 N ARG A 78 -9.283 10.398 -11.313 1.00 0.00 N ATOM 1221 CA ARG A 78 -8.590 10.971 -12.502 1.00 0.00 C ATOM 1222 C ARG A 78 -8.831 10.052 -13.703 1.00 0.00 C ATOM 1223 O ARG A 78 -9.195 10.498 -14.775 1.00 0.00 O ATOM 1224 CB ARG A 78 -7.101 11.004 -12.139 1.00 0.00 C ATOM 1225 CG ARG A 78 -6.898 11.651 -10.764 1.00 0.00 C ATOM 1226 CD ARG A 78 -5.398 11.804 -10.492 1.00 0.00 C ATOM 1227 NE ARG A 78 -5.327 12.536 -9.192 1.00 0.00 N ATOM 1228 CZ ARG A 78 -4.164 12.800 -8.654 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -3.427 13.768 -9.134 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -3.741 12.096 -7.636 1.00 0.00 N ATOM 0 H ARG A 78 -8.973 9.462 -11.051 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.951 11.967 -12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.699 9.991 -12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.549 11.562 -12.895 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.386 12.625 -10.732 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.359 11.038 -9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.905 10.834 -10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.905 12.361 -11.289 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.184 12.830 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.759 14.317 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.520 13.974 -8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.318 11.342 -7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.834 12.301 -7.216 1.00 0.00 H new ATOM 1244 N GLY A 79 -8.657 8.765 -13.513 1.00 0.00 N ATOM 1245 CA GLY A 79 -8.903 7.796 -14.618 1.00 0.00 C ATOM 1246 C GLY A 79 -7.688 6.907 -14.894 1.00 0.00 C ATOM 1247 O GLY A 79 -7.446 6.515 -16.020 1.00 0.00 O ATOM 0 H GLY A 79 -8.353 8.346 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.758 7.170 -14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.165 8.341 -15.525 1.00 0.00 H new ATOM 1251 N ASP A 80 -6.945 6.553 -13.878 1.00 0.00 N ATOM 1252 CA ASP A 80 -5.770 5.651 -14.082 1.00 0.00 C ATOM 1253 C ASP A 80 -6.275 4.204 -14.190 1.00 0.00 C ATOM 1254 O ASP A 80 -7.462 3.974 -14.084 1.00 0.00 O ATOM 1255 CB ASP A 80 -4.913 5.843 -12.828 1.00 0.00 C ATOM 1256 CG ASP A 80 -4.102 7.136 -12.957 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -4.676 8.196 -12.760 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -2.922 7.045 -13.249 1.00 0.00 O ATOM 0 H ASP A 80 -7.100 6.849 -12.914 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.203 5.869 -14.987 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.548 5.886 -11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.244 4.993 -12.698 1.00 0.00 H new ATOM 1263 N PRO A 81 -5.377 3.266 -14.391 1.00 0.00 N ATOM 1264 CA PRO A 81 -5.796 1.842 -14.492 1.00 0.00 C ATOM 1265 C PRO A 81 -6.319 1.341 -13.132 1.00 0.00 C ATOM 1266 O PRO A 81 -5.643 0.616 -12.422 1.00 0.00 O ATOM 1267 CB PRO A 81 -4.515 1.119 -14.906 1.00 0.00 C ATOM 1268 CG PRO A 81 -3.415 2.010 -14.422 1.00 0.00 C ATOM 1269 CD PRO A 81 -3.921 3.424 -14.550 1.00 0.00 C ATOM 0 HA PRO A 81 -6.609 1.677 -15.200 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.453 0.129 -14.454 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.468 0.980 -15.986 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.158 1.782 -13.387 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.511 1.867 -15.014 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.499 4.075 -13.785 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.665 3.859 -15.516 1.00 0.00 H new ATOM 1277 N THR A 82 -7.521 1.733 -12.765 1.00 0.00 N ATOM 1278 CA THR A 82 -8.102 1.296 -11.456 1.00 0.00 C ATOM 1279 C THR A 82 -9.513 0.716 -11.662 1.00 0.00 C ATOM 1280 O THR A 82 -9.805 0.115 -12.680 1.00 0.00 O ATOM 1281 CB THR A 82 -8.140 2.557 -10.577 1.00 0.00 C ATOM 1282 OG1 THR A 82 -8.999 3.526 -11.152 1.00 0.00 O ATOM 1283 CG2 THR A 82 -6.733 3.135 -10.442 1.00 0.00 C ATOM 0 H THR A 82 -8.124 2.339 -13.321 1.00 0.00 H new ATOM 0 HA THR A 82 -7.510 0.509 -10.989 1.00 0.00 H new ATOM 0 HB THR A 82 -8.517 2.288 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.536 4.389 -11.196 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.765 4.028 -9.818 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.078 2.395 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.350 3.395 -11.429 1.00 0.00 H new ATOM 1291 N GLY A 83 -10.390 0.905 -10.706 1.00 0.00 N ATOM 1292 CA GLY A 83 -11.789 0.390 -10.827 1.00 0.00 C ATOM 1293 C GLY A 83 -12.690 1.585 -11.140 1.00 0.00 C ATOM 1294 O GLY A 83 -13.198 1.703 -12.239 1.00 0.00 O ATOM 0 H GLY A 83 -10.193 1.400 -9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.856 -0.358 -11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.101 -0.094 -9.902 1.00 0.00 H new ATOM 1298 N PRO A 84 -12.820 2.463 -10.169 1.00 0.00 N ATOM 1299 CA PRO A 84 -13.609 3.686 -10.347 1.00 0.00 C ATOM 1300 C PRO A 84 -12.651 4.745 -10.879 1.00 0.00 C ATOM 1301 O PRO A 84 -12.465 5.789 -10.287 1.00 0.00 O ATOM 1302 CB PRO A 84 -14.064 4.034 -8.939 1.00 0.00 C ATOM 1303 CG PRO A 84 -13.020 3.435 -8.045 1.00 0.00 C ATOM 1304 CD PRO A 84 -12.247 2.399 -8.829 1.00 0.00 C ATOM 0 HA PRO A 84 -14.455 3.598 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.133 5.113 -8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.051 3.622 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.347 4.210 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -13.487 2.978 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.180 2.623 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.359 1.406 -8.395 1.00 0.00 H new ATOM 1312 N LYS A 85 -12.022 4.454 -11.984 1.00 0.00 N ATOM 1313 CA LYS A 85 -11.036 5.415 -12.575 1.00 0.00 C ATOM 1314 C LYS A 85 -11.792 6.512 -13.313 1.00 0.00 C ATOM 1315 O LYS A 85 -11.599 6.768 -14.487 1.00 0.00 O ATOM 1316 CB LYS A 85 -10.133 4.608 -13.530 1.00 0.00 C ATOM 1317 CG LYS A 85 -10.881 3.432 -14.167 1.00 0.00 C ATOM 1318 CD LYS A 85 -10.197 3.032 -15.476 1.00 0.00 C ATOM 1319 CE LYS A 85 -11.265 2.636 -16.500 1.00 0.00 C ATOM 1320 NZ LYS A 85 -10.489 2.246 -17.713 1.00 0.00 N ATOM 0 H LYS A 85 -12.146 3.588 -12.509 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.423 5.894 -11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.755 5.265 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.268 4.234 -12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.898 2.585 -13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.918 3.709 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.600 3.861 -15.857 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.514 2.200 -15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.877 1.810 -16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.941 3.465 -16.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.145 1.959 -18.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.921 3.055 -18.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.859 1.451 -17.482 1.00 0.00 H new ATOM 1334 N GLU A 86 -12.655 7.159 -12.586 1.00 0.00 N ATOM 1335 CA GLU A 86 -13.469 8.265 -13.136 1.00 0.00 C ATOM 1336 C GLU A 86 -12.692 9.591 -13.065 1.00 0.00 C ATOM 1337 O GLU A 86 -11.863 9.808 -13.932 1.00 0.00 O ATOM 1338 CB GLU A 86 -14.749 8.288 -12.273 1.00 0.00 C ATOM 1339 CG GLU A 86 -14.404 8.148 -10.777 1.00 0.00 C ATOM 1340 CD GLU A 86 -15.352 9.015 -9.946 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -16.410 8.526 -9.586 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -15.002 10.155 -9.682 1.00 0.00 O ATOM 1343 OXT GLU A 86 -12.935 10.365 -12.150 1.00 0.00 O ATOM 0 H GLU A 86 -12.832 6.957 -11.602 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.713 8.126 -14.189 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.289 9.220 -12.440 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.411 7.477 -12.575 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.487 7.105 -10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.372 8.450 -10.602 1.00 0.00 H new