USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 674 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 72 GLN : amide:sc= -0.537 K(o=-0.34,f=-2.3) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0.199 USER MOD Set 2.1: A 65 HIS : no HD1:sc= -6.88! C(o=-6.1!,f=-8.1!) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.296 K(o=-6.1,f=-18!) USER MOD Set 2.3: A 75 SER OG : rot 173:sc= 0.154 USER MOD Set 2.4: A 82 THR OG1 : rot 143:sc= 0.315 USER MOD Set 3.1: A 25 CYS SG : rot 180:sc= -0.298 USER MOD Set 3.2: A 27 CYS SG : rot 26:sc= 0.146 USER MOD Set 3.3: A 37 CYS SG : rot 68:sc= -0.0196 USER MOD Set 4.1: A 31 CYS SG : rot -158:sc= 0.187 USER MOD Set 4.2: A 60 GLN : amide:sc= 0.182 X(o=0.37,f=0) USER MOD Set 5.1: A 7 ASN : amide:sc= -7.81! C(o=-9.7!,f=-12!) USER MOD Set 5.2: A 13 HIS : no HE2:sc= -1.86! C(o=-9.7!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.4 (180deg=-0.00561) USER MOD Single : A 12 ASN : amide:sc= -0.77 K(o=-0.77,f=-2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.642 K(o=-0.64,f=-4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0389 USER MOD Single : A 23 ASN : amide:sc= 0.616 K(o=0.62,f=-4.8!) USER MOD Single : A 26 HIS : no HD1:sc=-0.00109 X(o=-0.0011,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 1.65 (180deg=0.946) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= -0.155 USER MOD Single : A 33 HIS : no HE2:sc= -15.1! C(o=-15!,f=-16!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : A 41 LYS NZ :NH3+ 141:sc= 0.943 (180deg=-0.126) USER MOD Single : A 46 SER OG : rot 54:sc= 0.288 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.642 USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= 2.49 (180deg=1.6) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 0.335 (180deg=-0.207) USER MOD Single : A 54 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.1!) USER MOD Single : A 64 THR OG1 : rot 7:sc= 0.26 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 0.644 (180deg=-0.0463) USER MOD Single : A 76 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.018) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.699 2.330 13.260 1.00 0.00 N ATOM 2 CA MET A 1 -13.323 2.700 13.747 1.00 0.00 C ATOM 3 C MET A 1 -12.392 1.462 13.810 1.00 0.00 C ATOM 4 O MET A 1 -11.213 1.592 13.540 1.00 0.00 O ATOM 5 CB MET A 1 -13.400 3.424 15.123 1.00 0.00 C ATOM 6 CG MET A 1 -13.808 2.478 16.273 1.00 0.00 C ATOM 7 SD MET A 1 -15.601 2.542 16.508 1.00 0.00 S ATOM 8 CE MET A 1 -15.717 1.250 17.770 1.00 0.00 C ATOM 0 H1 MET A 1 -15.056 3.076 12.630 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.653 1.430 12.740 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.339 2.228 14.073 1.00 0.00 H new ATOM 0 HA MET A 1 -12.889 3.394 13.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.431 3.868 15.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.118 4.242 15.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.498 1.458 16.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.300 2.768 17.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.758 1.122 18.065 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.337 0.312 17.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.126 1.537 18.640 1.00 0.00 H new ATOM 20 N ASP A 2 -12.922 0.277 14.146 1.00 0.00 N ATOM 21 CA ASP A 2 -12.107 -0.994 14.219 1.00 0.00 C ATOM 22 C ASP A 2 -11.075 -0.968 15.381 1.00 0.00 C ATOM 23 O ASP A 2 -10.653 0.093 15.817 1.00 0.00 O ATOM 24 CB ASP A 2 -11.400 -1.243 12.870 1.00 0.00 C ATOM 25 CG ASP A 2 -12.334 -2.011 11.943 1.00 0.00 C ATOM 26 OD1 ASP A 2 -13.268 -1.406 11.432 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.104 -3.191 11.754 1.00 0.00 O ATOM 0 H ASP A 2 -13.908 0.149 14.375 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.794 -1.815 14.425 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.117 -0.294 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.481 -1.807 13.027 1.00 0.00 H new ATOM 32 N PRO A 3 -10.695 -2.155 15.856 1.00 0.00 N ATOM 33 CA PRO A 3 -9.713 -2.299 16.958 1.00 0.00 C ATOM 34 C PRO A 3 -8.265 -2.175 16.414 1.00 0.00 C ATOM 35 O PRO A 3 -7.477 -3.109 16.494 1.00 0.00 O ATOM 36 CB PRO A 3 -10.003 -3.709 17.504 1.00 0.00 C ATOM 37 CG PRO A 3 -10.690 -4.495 16.361 1.00 0.00 C ATOM 38 CD PRO A 3 -11.214 -3.456 15.353 1.00 0.00 C ATOM 0 HA PRO A 3 -9.799 -1.531 17.726 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.081 -4.202 17.813 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.648 -3.659 18.382 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.985 -5.175 15.883 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.507 -5.103 16.748 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.854 -3.664 14.345 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.303 -3.459 15.310 1.00 0.00 H new ATOM 46 N VAL A 4 -7.913 -1.025 15.863 1.00 0.00 N ATOM 47 CA VAL A 4 -6.528 -0.831 15.316 1.00 0.00 C ATOM 48 C VAL A 4 -6.103 0.645 15.377 1.00 0.00 C ATOM 49 O VAL A 4 -5.445 1.054 16.313 1.00 0.00 O ATOM 50 CB VAL A 4 -6.396 -1.307 13.827 1.00 0.00 C ATOM 51 CG1 VAL A 4 -5.822 -2.704 13.777 1.00 0.00 C ATOM 52 CG2 VAL A 4 -7.752 -1.288 13.098 1.00 0.00 C ATOM 0 H VAL A 4 -8.528 -0.217 15.771 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.879 -1.440 15.946 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.727 -0.611 13.321 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.735 -3.025 12.739 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.836 -2.709 14.243 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.480 -3.387 14.314 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.617 -1.624 12.070 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.449 -1.952 13.609 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.151 -0.274 13.098 1.00 0.00 H new ATOM 62 N ASP A 5 -6.435 1.382 14.322 1.00 0.00 N ATOM 63 CA ASP A 5 -6.047 2.799 14.097 1.00 0.00 C ATOM 64 C ASP A 5 -5.944 2.943 12.555 1.00 0.00 C ATOM 65 O ASP A 5 -5.752 1.936 11.870 1.00 0.00 O ATOM 66 CB ASP A 5 -4.587 3.071 14.626 1.00 0.00 C ATOM 67 CG ASP A 5 -4.514 4.228 15.648 1.00 0.00 C ATOM 68 OD1 ASP A 5 -5.487 4.951 15.821 1.00 0.00 O ATOM 69 OD2 ASP A 5 -3.460 4.377 16.233 1.00 0.00 O ATOM 0 H ASP A 5 -7.004 1.008 13.562 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.756 3.466 14.588 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.200 2.163 15.088 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.938 3.300 13.781 1.00 0.00 H new ATOM 74 N PRO A 6 -5.879 4.160 12.046 1.00 0.00 N ATOM 75 CA PRO A 6 -5.543 4.390 10.616 1.00 0.00 C ATOM 76 C PRO A 6 -4.003 4.360 10.747 1.00 0.00 C ATOM 77 O PRO A 6 -3.353 5.383 10.838 1.00 0.00 O ATOM 78 CB PRO A 6 -6.128 5.786 10.346 1.00 0.00 C ATOM 79 CG PRO A 6 -6.246 6.493 11.725 1.00 0.00 C ATOM 80 CD PRO A 6 -6.134 5.401 12.808 1.00 0.00 C ATOM 0 HA PRO A 6 -5.896 3.725 9.827 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.483 6.353 9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.103 5.711 9.865 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.458 7.236 11.845 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.196 7.020 11.807 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.324 5.614 13.506 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.049 5.327 13.395 1.00 0.00 H new ATOM 88 N ASN A 7 -3.502 3.167 11.057 1.00 0.00 N ATOM 89 CA ASN A 7 -2.129 3.021 11.549 1.00 0.00 C ATOM 90 C ASN A 7 -0.957 2.762 10.569 1.00 0.00 C ATOM 91 O ASN A 7 -0.438 3.677 9.959 1.00 0.00 O ATOM 92 CB ASN A 7 -2.216 1.937 12.658 1.00 0.00 C ATOM 93 CG ASN A 7 -1.032 1.867 13.623 1.00 0.00 C ATOM 94 OD1 ASN A 7 -0.750 2.786 14.355 1.00 0.00 O ATOM 95 ND2 ASN A 7 -0.328 0.752 13.649 1.00 0.00 N ATOM 0 H ASN A 7 -4.019 2.291 10.978 1.00 0.00 H new ATOM 0 HA ASN A 7 -1.822 4.014 11.879 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.122 2.112 13.238 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.327 0.964 12.179 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.460 0.661 14.290 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.572 -0.020 13.028 1.00 0.00 H new ATOM 102 N ILE A 8 -0.391 1.564 10.707 1.00 0.00 N ATOM 103 CA ILE A 8 0.919 1.181 10.163 1.00 0.00 C ATOM 104 C ILE A 8 1.148 -0.281 10.592 1.00 0.00 C ATOM 105 O ILE A 8 0.366 -0.805 11.382 1.00 0.00 O ATOM 106 CB ILE A 8 1.984 2.034 10.923 1.00 0.00 C ATOM 107 CG1 ILE A 8 1.395 2.609 12.279 1.00 0.00 C ATOM 108 CG2 ILE A 8 2.396 3.152 10.008 1.00 0.00 C ATOM 109 CD1 ILE A 8 1.985 3.885 12.690 1.00 0.00 C ATOM 0 H ILE A 8 -0.844 0.805 11.217 1.00 0.00 H new ATOM 0 HA ILE A 8 0.977 1.316 9.083 1.00 0.00 H new ATOM 0 HB ILE A 8 2.842 1.416 11.188 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.318 2.736 12.170 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.551 1.876 13.071 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.142 3.773 10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.820 2.736 9.094 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.525 3.759 9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.530 4.212 13.625 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.058 3.760 12.833 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.806 4.634 11.918 1.00 0.00 H new ATOM 121 N GLU A 9 2.200 -0.930 10.160 1.00 0.00 N ATOM 122 CA GLU A 9 2.455 -2.350 10.614 1.00 0.00 C ATOM 123 C GLU A 9 1.134 -3.198 10.374 1.00 0.00 C ATOM 124 O GLU A 9 0.532 -2.997 9.330 1.00 0.00 O ATOM 125 CB GLU A 9 2.935 -2.294 12.086 1.00 0.00 C ATOM 126 CG GLU A 9 4.123 -1.303 12.230 1.00 0.00 C ATOM 127 CD GLU A 9 3.821 -0.152 13.220 1.00 0.00 C ATOM 128 OE1 GLU A 9 2.672 0.056 13.573 1.00 0.00 O ATOM 129 OE2 GLU A 9 4.765 0.509 13.607 1.00 0.00 O ATOM 0 H GLU A 9 2.894 -0.549 9.517 1.00 0.00 H new ATOM 0 HA GLU A 9 3.240 -2.851 10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.114 -1.983 12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.240 -3.288 12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.005 -1.846 12.568 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.362 -0.884 11.253 1.00 0.00 H new ATOM 136 N PRO A 10 0.635 -4.054 11.307 1.00 0.00 N ATOM 137 CA PRO A 10 -0.669 -4.764 11.088 1.00 0.00 C ATOM 138 C PRO A 10 -1.896 -3.846 11.412 1.00 0.00 C ATOM 139 O PRO A 10 -2.986 -4.339 11.649 1.00 0.00 O ATOM 140 CB PRO A 10 -0.603 -5.949 12.062 1.00 0.00 C ATOM 141 CG PRO A 10 0.405 -5.558 13.163 1.00 0.00 C ATOM 142 CD PRO A 10 1.275 -4.426 12.597 1.00 0.00 C ATOM 0 HA PRO A 10 -0.804 -5.066 10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.584 -6.154 12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.284 -6.856 11.548 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.115 -5.231 14.063 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.020 -6.413 13.444 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.310 -3.577 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.303 -4.756 12.446 1.00 0.00 H new ATOM 150 N TRP A 11 -1.705 -2.523 11.430 1.00 0.00 N ATOM 151 CA TRP A 11 -2.779 -1.504 11.730 1.00 0.00 C ATOM 152 C TRP A 11 -3.017 -1.334 13.257 1.00 0.00 C ATOM 153 O TRP A 11 -3.574 -0.339 13.670 1.00 0.00 O ATOM 154 CB TRP A 11 -4.090 -1.806 10.975 1.00 0.00 C ATOM 155 CG TRP A 11 -4.220 -0.771 9.912 1.00 0.00 C ATOM 156 CD1 TRP A 11 -5.332 -0.074 9.623 1.00 0.00 C ATOM 157 CD2 TRP A 11 -3.184 -0.278 9.030 1.00 0.00 C ATOM 158 NE1 TRP A 11 -5.045 0.817 8.599 1.00 0.00 N ATOM 159 CE2 TRP A 11 -3.726 0.727 8.216 1.00 0.00 C ATOM 160 CE3 TRP A 11 -1.830 -0.612 8.870 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -2.951 1.377 7.280 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -1.050 0.044 7.934 1.00 0.00 C ATOM 163 CH2 TRP A 11 -1.608 1.036 7.149 1.00 0.00 C ATOM 0 H TRP A 11 -0.797 -2.099 11.237 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.412 -0.547 11.360 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.065 -2.806 10.541 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.943 -1.774 11.653 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.290 -0.188 10.108 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.723 1.456 8.184 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.394 -1.387 9.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.382 2.144 6.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.009 -0.218 7.817 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.994 1.552 6.426 1.00 0.00 H new ATOM 174 N ASN A 12 -2.585 -2.267 14.099 1.00 0.00 N ATOM 175 CA ASN A 12 -2.787 -2.118 15.595 1.00 0.00 C ATOM 176 C ASN A 12 -1.518 -1.565 16.303 1.00 0.00 C ATOM 177 O ASN A 12 -1.583 -1.235 17.473 1.00 0.00 O ATOM 178 CB ASN A 12 -3.171 -3.484 16.216 1.00 0.00 C ATOM 179 CG ASN A 12 -2.101 -4.543 15.928 1.00 0.00 C ATOM 180 OD1 ASN A 12 -2.229 -5.311 15.002 1.00 0.00 O ATOM 181 ND2 ASN A 12 -1.041 -4.614 16.676 1.00 0.00 N ATOM 0 H ASN A 12 -2.104 -3.120 13.815 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.593 -1.400 15.744 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.298 -3.374 17.293 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.129 -3.813 15.814 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.325 -5.313 16.480 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.925 -3.970 17.459 1.00 0.00 H new ATOM 188 N HIS A 13 -0.374 -1.485 15.610 1.00 0.00 N ATOM 189 CA HIS A 13 0.918 -0.977 16.216 1.00 0.00 C ATOM 190 C HIS A 13 1.512 -2.042 17.180 1.00 0.00 C ATOM 191 O HIS A 13 0.865 -2.425 18.142 1.00 0.00 O ATOM 192 CB HIS A 13 0.694 0.354 16.965 1.00 0.00 C ATOM 193 CG HIS A 13 1.817 1.303 16.670 1.00 0.00 C ATOM 194 ND1 HIS A 13 1.599 2.524 16.071 1.00 0.00 N ATOM 195 CD2 HIS A 13 3.165 1.240 16.918 1.00 0.00 C ATOM 196 CE1 HIS A 13 2.783 3.146 15.985 1.00 0.00 C ATOM 197 NE2 HIS A 13 3.774 2.407 16.483 1.00 0.00 N ATOM 0 H HIS A 13 -0.291 -1.759 14.631 1.00 0.00 H new ATOM 0 HA HIS A 13 1.625 -0.795 15.406 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.255 0.796 16.663 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.633 0.171 18.038 1.00 0.00 H new ATOM 0 HD1 HIS A 13 0.701 2.888 15.752 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.674 0.408 17.382 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.918 4.130 15.562 1.00 0.00 H new ATOM 205 N PRO A 14 2.733 -2.502 16.904 1.00 0.00 N ATOM 206 CA PRO A 14 3.416 -3.520 17.749 1.00 0.00 C ATOM 207 C PRO A 14 4.048 -2.873 19.020 1.00 0.00 C ATOM 208 O PRO A 14 5.222 -3.058 19.309 1.00 0.00 O ATOM 209 CB PRO A 14 4.488 -4.091 16.803 1.00 0.00 C ATOM 210 CG PRO A 14 4.748 -3.009 15.726 1.00 0.00 C ATOM 211 CD PRO A 14 3.535 -2.068 15.735 1.00 0.00 C ATOM 0 HA PRO A 14 2.741 -4.284 18.135 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.403 -4.323 17.349 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.146 -5.019 16.345 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.664 -2.460 15.944 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.876 -3.465 14.744 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.842 -1.026 15.830 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.964 -2.149 14.810 1.00 0.00 H new ATOM 219 N GLY A 15 3.264 -2.130 19.788 1.00 0.00 N ATOM 220 CA GLY A 15 3.786 -1.474 21.038 1.00 0.00 C ATOM 221 C GLY A 15 3.487 -2.363 22.249 1.00 0.00 C ATOM 222 O GLY A 15 2.540 -2.120 22.973 1.00 0.00 O ATOM 0 H GLY A 15 2.278 -1.952 19.596 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.860 -1.308 20.952 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.322 -0.496 21.169 1.00 0.00 H new ATOM 226 N SER A 16 4.283 -3.395 22.459 1.00 0.00 N ATOM 227 CA SER A 16 4.055 -4.325 23.623 1.00 0.00 C ATOM 228 C SER A 16 5.375 -4.560 24.389 1.00 0.00 C ATOM 229 O SER A 16 5.486 -4.199 25.547 1.00 0.00 O ATOM 230 CB SER A 16 3.494 -5.659 23.100 1.00 0.00 C ATOM 231 OG SER A 16 3.316 -6.569 24.184 1.00 0.00 O ATOM 0 H SER A 16 5.083 -3.633 21.872 1.00 0.00 H new ATOM 0 HA SER A 16 3.339 -3.876 24.311 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.543 -5.491 22.595 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.175 -6.086 22.363 1.00 0.00 H new ATOM 0 HG SER A 16 2.957 -7.416 23.845 1.00 0.00 H new ATOM 237 N GLN A 17 6.370 -5.158 23.749 1.00 0.00 N ATOM 238 CA GLN A 17 7.681 -5.419 24.430 1.00 0.00 C ATOM 239 C GLN A 17 8.746 -4.417 23.916 1.00 0.00 C ATOM 240 O GLN A 17 9.026 -4.389 22.727 1.00 0.00 O ATOM 241 CB GLN A 17 8.122 -6.866 24.134 1.00 0.00 C ATOM 242 CG GLN A 17 9.197 -7.311 25.144 1.00 0.00 C ATOM 243 CD GLN A 17 8.561 -7.563 26.518 1.00 0.00 C ATOM 244 OE1 GLN A 17 8.713 -6.772 27.418 1.00 0.00 O ATOM 245 NE2 GLN A 17 7.852 -8.634 26.719 1.00 0.00 N ATOM 0 H GLN A 17 6.322 -5.475 22.781 1.00 0.00 H new ATOM 0 HA GLN A 17 7.572 -5.289 25.507 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.263 -7.534 24.188 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.515 -6.934 23.120 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.686 -8.218 24.790 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.968 -6.545 25.227 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.719 -9.307 25.964 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.429 -8.802 27.632 1.00 0.00 H new ATOM 254 N PRO A 18 9.320 -3.623 24.821 1.00 0.00 N ATOM 255 CA PRO A 18 10.358 -2.627 24.459 1.00 0.00 C ATOM 256 C PRO A 18 11.709 -3.335 24.205 1.00 0.00 C ATOM 257 O PRO A 18 12.360 -3.807 25.127 1.00 0.00 O ATOM 258 CB PRO A 18 10.413 -1.697 25.679 1.00 0.00 C ATOM 259 CG PRO A 18 9.846 -2.504 26.871 1.00 0.00 C ATOM 260 CD PRO A 18 8.998 -3.642 26.273 1.00 0.00 C ATOM 0 HA PRO A 18 10.138 -2.079 23.543 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.436 -1.378 25.878 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.826 -0.795 25.506 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.652 -2.904 27.486 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.240 -1.868 27.516 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.249 -4.603 26.723 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.934 -3.477 26.446 1.00 0.00 H new ATOM 268 N LYS A 19 12.111 -3.428 22.952 1.00 0.00 N ATOM 269 CA LYS A 19 13.402 -4.118 22.598 1.00 0.00 C ATOM 270 C LYS A 19 14.317 -3.182 21.762 1.00 0.00 C ATOM 271 O LYS A 19 14.097 -1.983 21.695 1.00 0.00 O ATOM 272 CB LYS A 19 13.063 -5.400 21.811 1.00 0.00 C ATOM 273 CG LYS A 19 13.683 -6.612 22.512 1.00 0.00 C ATOM 274 CD LYS A 19 13.142 -7.898 21.874 1.00 0.00 C ATOM 275 CE LYS A 19 13.871 -9.116 22.451 1.00 0.00 C ATOM 276 NZ LYS A 19 15.023 -9.477 21.565 1.00 0.00 N ATOM 0 H LYS A 19 11.596 -3.053 22.155 1.00 0.00 H new ATOM 0 HA LYS A 19 13.947 -4.374 23.507 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.982 -5.521 21.742 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.441 -5.324 20.792 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.769 -6.579 22.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.446 -6.592 23.576 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.071 -7.983 22.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.276 -7.862 20.793 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.228 -8.896 23.457 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.184 -9.958 22.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.517 -10.304 21.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.671 -9.704 20.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.682 -8.675 21.508 1.00 0.00 H new ATOM 290 N THR A 20 15.352 -3.724 21.135 1.00 0.00 N ATOM 291 CA THR A 20 16.312 -2.887 20.312 1.00 0.00 C ATOM 292 C THR A 20 15.768 -2.639 18.873 1.00 0.00 C ATOM 293 O THR A 20 16.477 -2.832 17.896 1.00 0.00 O ATOM 294 CB THR A 20 17.683 -3.608 20.246 1.00 0.00 C ATOM 295 OG1 THR A 20 17.487 -5.000 20.002 1.00 0.00 O ATOM 296 CG2 THR A 20 18.425 -3.437 21.573 1.00 0.00 C ATOM 0 H THR A 20 15.574 -4.719 21.159 1.00 0.00 H new ATOM 0 HA THR A 20 16.423 -1.915 20.792 1.00 0.00 H new ATOM 0 HB THR A 20 18.270 -3.172 19.438 1.00 0.00 H new ATOM 0 HG1 THR A 20 18.356 -5.450 19.960 1.00 0.00 H new ATOM 0 HG21 THR A 20 19.387 -3.946 21.520 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.586 -2.376 21.766 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.831 -3.867 22.380 1.00 0.00 H new ATOM 304 N ALA A 21 14.521 -2.175 18.750 1.00 0.00 N ATOM 305 CA ALA A 21 13.875 -1.859 17.412 1.00 0.00 C ATOM 306 C ALA A 21 13.764 -3.111 16.495 1.00 0.00 C ATOM 307 O ALA A 21 12.688 -3.667 16.362 1.00 0.00 O ATOM 308 CB ALA A 21 14.655 -0.729 16.709 1.00 0.00 C ATOM 0 H ALA A 21 13.912 -1.999 19.549 1.00 0.00 H new ATOM 0 HA ALA A 21 12.855 -1.527 17.607 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.187 -0.506 15.750 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.644 0.164 17.334 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.685 -1.045 16.546 1.00 0.00 H new ATOM 314 N CYS A 22 14.861 -3.538 15.868 1.00 0.00 N ATOM 315 CA CYS A 22 14.874 -4.738 14.945 1.00 0.00 C ATOM 316 C CYS A 22 14.140 -4.428 13.614 1.00 0.00 C ATOM 317 O CYS A 22 14.783 -4.291 12.590 1.00 0.00 O ATOM 318 CB CYS A 22 14.262 -5.973 15.645 1.00 0.00 C ATOM 319 SG CYS A 22 14.837 -7.484 14.827 1.00 0.00 S ATOM 0 H CYS A 22 15.770 -3.086 15.965 1.00 0.00 H new ATOM 0 HA CYS A 22 15.912 -4.967 14.703 1.00 0.00 H new ATOM 0 HB2 CYS A 22 14.548 -5.986 16.697 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.174 -5.921 15.611 1.00 0.00 H new ATOM 0 HG CYS A 22 14.323 -8.521 15.419 1.00 0.00 H new ATOM 325 N ASN A 23 12.810 -4.320 13.623 1.00 0.00 N ATOM 326 CA ASN A 23 12.016 -4.025 12.367 1.00 0.00 C ATOM 327 C ASN A 23 12.381 -5.024 11.228 1.00 0.00 C ATOM 328 O ASN A 23 12.626 -4.634 10.090 1.00 0.00 O ATOM 329 CB ASN A 23 12.275 -2.565 11.925 1.00 0.00 C ATOM 330 CG ASN A 23 11.073 -2.021 11.132 1.00 0.00 C ATOM 331 OD1 ASN A 23 10.431 -2.735 10.388 1.00 0.00 O ATOM 332 ND2 ASN A 23 10.740 -0.770 11.245 1.00 0.00 N ATOM 0 H ASN A 23 12.240 -4.426 14.462 1.00 0.00 H new ATOM 0 HA ASN A 23 10.955 -4.149 12.582 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.454 -1.940 12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.174 -2.519 11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.951 -0.402 10.714 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.268 -0.156 11.865 1.00 0.00 H new ATOM 339 N ARG A 24 12.401 -6.313 11.530 1.00 0.00 N ATOM 340 CA ARG A 24 12.736 -7.353 10.484 1.00 0.00 C ATOM 341 C ARG A 24 11.453 -7.744 9.691 1.00 0.00 C ATOM 342 O ARG A 24 11.065 -8.906 9.623 1.00 0.00 O ATOM 343 CB ARG A 24 13.389 -8.587 11.161 1.00 0.00 C ATOM 344 CG ARG A 24 12.479 -9.175 12.262 1.00 0.00 C ATOM 345 CD ARG A 24 12.525 -10.707 12.209 1.00 0.00 C ATOM 346 NE ARG A 24 11.449 -11.205 11.292 1.00 0.00 N ATOM 347 CZ ARG A 24 10.859 -12.335 11.523 1.00 0.00 C ATOM 348 NH1 ARG A 24 9.821 -12.372 12.303 1.00 0.00 N ATOM 349 NH2 ARG A 24 11.311 -13.421 10.976 1.00 0.00 N ATOM 0 H ARG A 24 12.200 -6.689 12.456 1.00 0.00 H new ATOM 0 HA ARG A 24 13.453 -6.941 9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.593 -9.350 10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.348 -8.301 11.594 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.805 -8.826 13.242 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.455 -8.828 12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.501 -11.041 11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.387 -11.121 13.208 1.00 0.00 H new ATOM 0 HE ARG A 24 11.179 -10.650 10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.474 -11.514 12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.353 -13.259 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.128 -13.383 10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.849 -14.313 11.155 1.00 0.00 H new ATOM 363 N CYS A 25 10.796 -6.766 9.091 1.00 0.00 N ATOM 364 CA CYS A 25 9.542 -7.036 8.310 1.00 0.00 C ATOM 365 C CYS A 25 9.871 -7.203 6.810 1.00 0.00 C ATOM 366 O CYS A 25 10.499 -6.346 6.201 1.00 0.00 O ATOM 367 CB CYS A 25 8.562 -5.869 8.513 1.00 0.00 C ATOM 368 SG CYS A 25 6.902 -6.374 8.000 1.00 0.00 S ATOM 0 H CYS A 25 11.081 -5.787 9.112 1.00 0.00 H new ATOM 0 HA CYS A 25 9.085 -7.960 8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 25 8.554 -5.566 9.560 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.885 -5.004 7.933 1.00 0.00 H new ATOM 0 HG CYS A 25 6.075 -5.387 8.175 1.00 0.00 H new ATOM 374 N HIS A 26 9.442 -8.304 6.224 1.00 0.00 N ATOM 375 CA HIS A 26 9.701 -8.574 4.767 1.00 0.00 C ATOM 376 C HIS A 26 8.409 -9.114 4.110 1.00 0.00 C ATOM 377 O HIS A 26 8.028 -10.263 4.314 1.00 0.00 O ATOM 378 CB HIS A 26 10.849 -9.595 4.648 1.00 0.00 C ATOM 379 CG HIS A 26 11.263 -9.760 3.207 1.00 0.00 C ATOM 380 ND1 HIS A 26 11.392 -11.007 2.620 1.00 0.00 N ATOM 381 CD2 HIS A 26 11.569 -8.851 2.223 1.00 0.00 C ATOM 382 CE1 HIS A 26 11.763 -10.817 1.339 1.00 0.00 C ATOM 383 NE2 HIS A 26 11.884 -9.521 1.045 1.00 0.00 N ATOM 0 H HIS A 26 8.916 -9.036 6.702 1.00 0.00 H new ATOM 0 HA HIS A 26 9.990 -7.657 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.701 -9.264 5.241 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.532 -10.556 5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.566 -7.778 2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.941 -11.617 0.635 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.150 -9.110 0.150 1.00 0.00 H new ATOM 391 N CYS A 27 7.731 -8.285 3.339 1.00 0.00 N ATOM 392 CA CYS A 27 6.452 -8.712 2.660 1.00 0.00 C ATOM 393 C CYS A 27 6.172 -7.819 1.428 1.00 0.00 C ATOM 394 O CYS A 27 6.496 -6.641 1.420 1.00 0.00 O ATOM 395 CB CYS A 27 5.277 -8.615 3.658 1.00 0.00 C ATOM 396 SG CYS A 27 5.093 -6.913 4.264 1.00 0.00 S ATOM 0 H CYS A 27 8.011 -7.323 3.149 1.00 0.00 H new ATOM 0 HA CYS A 27 6.558 -9.744 2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.355 -8.936 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.449 -9.289 4.497 1.00 0.00 H new ATOM 0 HG CYS A 27 5.577 -6.085 3.386 1.00 0.00 H new ATOM 402 N LYS A 28 5.569 -8.379 0.390 1.00 0.00 N ATOM 403 CA LYS A 28 5.257 -7.577 -0.846 1.00 0.00 C ATOM 404 C LYS A 28 3.730 -7.497 -1.068 1.00 0.00 C ATOM 405 O LYS A 28 2.995 -8.441 -0.795 1.00 0.00 O ATOM 406 CB LYS A 28 5.933 -8.220 -2.072 1.00 0.00 C ATOM 407 CG LYS A 28 6.575 -7.120 -2.930 1.00 0.00 C ATOM 408 CD LYS A 28 7.118 -7.722 -4.233 1.00 0.00 C ATOM 409 CE LYS A 28 8.197 -6.800 -4.821 1.00 0.00 C ATOM 410 NZ LYS A 28 9.541 -7.199 -4.293 1.00 0.00 N ATOM 0 H LYS A 28 5.281 -9.357 0.350 1.00 0.00 H new ATOM 0 HA LYS A 28 5.642 -6.566 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.690 -8.936 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.199 -8.773 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.840 -6.347 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.383 -6.640 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.536 -8.710 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.307 -7.852 -4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.189 -6.862 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.986 -5.763 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.270 -6.574 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.545 -7.118 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.742 -8.183 -4.564 1.00 0.00 H new ATOM 424 N LYS A 29 3.259 -6.364 -1.556 1.00 0.00 N ATOM 425 CA LYS A 29 1.789 -6.175 -1.805 1.00 0.00 C ATOM 426 C LYS A 29 1.584 -5.162 -2.965 1.00 0.00 C ATOM 427 O LYS A 29 1.206 -4.021 -2.754 1.00 0.00 O ATOM 428 CB LYS A 29 1.136 -5.676 -0.500 1.00 0.00 C ATOM 429 CG LYS A 29 -0.234 -6.340 -0.303 1.00 0.00 C ATOM 430 CD LYS A 29 -0.134 -7.475 0.733 1.00 0.00 C ATOM 431 CE LYS A 29 -0.587 -8.803 0.110 1.00 0.00 C ATOM 432 NZ LYS A 29 0.576 -9.742 0.021 1.00 0.00 N ATOM 0 H LYS A 29 3.837 -5.558 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 29 1.321 -7.115 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.783 -5.902 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.021 -4.593 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.961 -5.598 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.594 -6.736 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.893 -7.563 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.753 -7.242 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.380 -9.247 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.002 -8.627 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.433 -10.398 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.450 -9.199 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.654 -10.282 0.906 1.00 0.00 H new ATOM 446 N CYS A 30 1.851 -5.596 -4.195 1.00 0.00 N ATOM 447 CA CYS A 30 1.705 -4.714 -5.420 1.00 0.00 C ATOM 448 C CYS A 30 2.622 -3.459 -5.300 1.00 0.00 C ATOM 449 O CYS A 30 3.812 -3.559 -5.546 1.00 0.00 O ATOM 450 CB CYS A 30 0.219 -4.334 -5.618 1.00 0.00 C ATOM 451 SG CYS A 30 -0.709 -5.779 -6.193 1.00 0.00 S ATOM 0 H CYS A 30 2.170 -6.543 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 30 2.028 -5.263 -6.305 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.201 -3.969 -4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.134 -3.524 -6.342 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.958 -5.456 -6.356 1.00 0.00 H new ATOM 457 N CYS A 31 2.097 -2.299 -4.908 1.00 0.00 N ATOM 458 CA CYS A 31 2.951 -1.068 -4.758 1.00 0.00 C ATOM 459 C CYS A 31 3.099 -0.751 -3.249 1.00 0.00 C ATOM 460 O CYS A 31 2.599 0.248 -2.752 1.00 0.00 O ATOM 461 CB CYS A 31 2.294 0.100 -5.522 1.00 0.00 C ATOM 462 SG CYS A 31 3.513 1.413 -5.791 1.00 0.00 S ATOM 0 H CYS A 31 1.111 -2.162 -4.687 1.00 0.00 H new ATOM 0 HA CYS A 31 3.944 -1.228 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.905 -0.251 -6.478 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.447 0.487 -4.956 1.00 0.00 H new ATOM 0 HG CYS A 31 2.899 2.541 -5.991 1.00 0.00 H new ATOM 468 N TYR A 32 3.773 -1.643 -2.525 1.00 0.00 N ATOM 469 CA TYR A 32 3.978 -1.501 -1.035 1.00 0.00 C ATOM 470 C TYR A 32 2.604 -1.291 -0.336 1.00 0.00 C ATOM 471 O TYR A 32 1.828 -2.225 -0.286 1.00 0.00 O ATOM 472 CB TYR A 32 5.005 -0.379 -0.736 1.00 0.00 C ATOM 473 CG TYR A 32 5.571 -0.567 0.662 1.00 0.00 C ATOM 474 CD1 TYR A 32 6.566 -1.528 0.892 1.00 0.00 C ATOM 475 CD2 TYR A 32 5.101 0.212 1.727 1.00 0.00 C ATOM 476 CE1 TYR A 32 7.089 -1.705 2.180 1.00 0.00 C ATOM 477 CE2 TYR A 32 5.623 0.033 3.012 1.00 0.00 C ATOM 478 CZ TYR A 32 6.618 -0.927 3.240 1.00 0.00 C ATOM 479 OH TYR A 32 7.143 -1.106 4.510 1.00 0.00 O ATOM 0 H TYR A 32 4.197 -2.482 -2.922 1.00 0.00 H new ATOM 0 HA TYR A 32 4.404 -2.416 -0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.809 -0.403 -1.471 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.527 0.597 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.930 -2.133 0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.334 0.953 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.857 -2.444 2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.258 0.636 3.830 1.00 0.00 H new ATOM 0 HH TYR A 32 8.074 -1.404 4.440 1.00 0.00 H new ATOM 489 N HIS A 33 2.279 -0.101 0.166 1.00 0.00 N ATOM 490 CA HIS A 33 0.944 0.121 0.818 1.00 0.00 C ATOM 491 C HIS A 33 -0.164 0.073 -0.245 1.00 0.00 C ATOM 492 O HIS A 33 -0.664 -1.007 -0.490 1.00 0.00 O ATOM 493 CB HIS A 33 0.962 1.462 1.589 1.00 0.00 C ATOM 494 CG HIS A 33 -0.363 1.687 2.283 1.00 0.00 C ATOM 495 ND1 HIS A 33 -0.544 1.452 3.632 1.00 0.00 N ATOM 496 CD2 HIS A 33 -1.567 2.154 1.826 1.00 0.00 C ATOM 497 CE1 HIS A 33 -1.818 1.785 3.929 1.00 0.00 C ATOM 498 NE2 HIS A 33 -2.480 2.216 2.866 1.00 0.00 N ATOM 0 H HIS A 33 2.887 0.718 0.147 1.00 0.00 H new ATOM 0 HA HIS A 33 0.738 -0.670 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.768 1.457 2.323 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.163 2.282 0.900 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.155 1.094 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.774 2.433 0.804 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.247 1.709 4.917 1.00 0.00 H new ATOM 506 N CYS A 34 -0.592 1.205 -0.831 1.00 0.00 N ATOM 507 CA CYS A 34 -1.750 1.217 -1.813 1.00 0.00 C ATOM 508 C CYS A 34 -3.032 0.858 -1.000 1.00 0.00 C ATOM 509 O CYS A 34 -3.904 1.684 -0.795 1.00 0.00 O ATOM 510 CB CYS A 34 -1.521 0.215 -2.969 1.00 0.00 C ATOM 511 SG CYS A 34 -2.596 0.643 -4.362 1.00 0.00 S ATOM 0 H CYS A 34 -0.178 2.122 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.848 2.198 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.477 0.237 -3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.732 -0.800 -2.632 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.402 -0.198 -5.334 1.00 0.00 H new ATOM 517 N GLN A 35 -3.070 -0.354 -0.482 1.00 0.00 N ATOM 518 CA GLN A 35 -4.160 -0.866 0.393 1.00 0.00 C ATOM 519 C GLN A 35 -3.639 -0.800 1.856 1.00 0.00 C ATOM 520 O GLN A 35 -4.265 -0.211 2.717 1.00 0.00 O ATOM 521 CB GLN A 35 -4.461 -2.358 0.076 1.00 0.00 C ATOM 522 CG GLN A 35 -4.097 -2.762 -1.372 1.00 0.00 C ATOM 523 CD GLN A 35 -5.323 -2.636 -2.281 1.00 0.00 C ATOM 524 OE1 GLN A 35 -6.019 -3.598 -2.511 1.00 0.00 O ATOM 525 NE2 GLN A 35 -5.624 -1.486 -2.807 1.00 0.00 N ATOM 0 H GLN A 35 -2.337 -1.043 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.062 -0.274 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.908 -2.989 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.520 -2.551 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.293 -2.126 -1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.727 -3.787 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.042 -0.670 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.443 -1.399 -3.409 1.00 0.00 H new ATOM 534 N VAL A 36 -2.479 -1.432 2.107 1.00 0.00 N ATOM 535 CA VAL A 36 -1.829 -1.478 3.485 1.00 0.00 C ATOM 536 C VAL A 36 -0.531 -2.327 3.439 1.00 0.00 C ATOM 537 O VAL A 36 0.487 -1.897 3.950 1.00 0.00 O ATOM 538 CB VAL A 36 -2.818 -1.991 4.551 1.00 0.00 C ATOM 539 CG1 VAL A 36 -3.606 -3.203 4.050 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.091 -2.357 5.853 1.00 0.00 C ATOM 0 H VAL A 36 -1.950 -1.928 1.390 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.553 -0.464 3.774 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.517 -1.178 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.293 -3.537 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.172 -2.927 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.915 -4.010 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.814 -2.715 6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.359 -3.139 5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.583 -1.476 6.246 1.00 0.00 H new ATOM 550 N CYS A 37 -0.570 -3.491 2.785 1.00 0.00 N ATOM 551 CA CYS A 37 0.643 -4.393 2.596 1.00 0.00 C ATOM 552 C CYS A 37 0.954 -5.359 3.772 1.00 0.00 C ATOM 553 O CYS A 37 1.420 -6.463 3.514 1.00 0.00 O ATOM 554 CB CYS A 37 1.890 -3.544 2.213 1.00 0.00 C ATOM 555 SG CYS A 37 3.167 -3.545 3.509 1.00 0.00 S ATOM 0 H CYS A 37 -1.421 -3.861 2.362 1.00 0.00 H new ATOM 0 HA CYS A 37 0.378 -5.059 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.317 -3.931 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.579 -2.518 2.016 1.00 0.00 H new ATOM 0 HG CYS A 37 3.681 -4.735 3.610 1.00 0.00 H new ATOM 561 N PHE A 38 0.765 -4.982 5.030 1.00 0.00 N ATOM 562 CA PHE A 38 1.141 -5.934 6.146 1.00 0.00 C ATOM 563 C PHE A 38 0.137 -7.102 6.325 1.00 0.00 C ATOM 564 O PHE A 38 -1.007 -6.960 6.033 1.00 0.00 O ATOM 565 CB PHE A 38 1.282 -5.211 7.505 1.00 0.00 C ATOM 566 CG PHE A 38 1.909 -6.223 8.429 1.00 0.00 C ATOM 567 CD1 PHE A 38 3.234 -6.582 8.210 1.00 0.00 C ATOM 568 CD2 PHE A 38 1.139 -6.905 9.381 1.00 0.00 C ATOM 569 CE1 PHE A 38 3.821 -7.605 8.952 1.00 0.00 C ATOM 570 CE2 PHE A 38 1.721 -7.943 10.120 1.00 0.00 C ATOM 571 CZ PHE A 38 3.062 -8.292 9.907 1.00 0.00 C ATOM 0 H PHE A 38 0.379 -4.085 5.325 1.00 0.00 H new ATOM 0 HA PHE A 38 2.103 -6.344 5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.905 -4.321 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.312 -4.884 7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.813 -6.064 7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.107 -6.633 9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.856 -7.867 8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.136 -8.475 10.855 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.510 -9.091 10.480 1.00 0.00 H new ATOM 581 N ILE A 39 0.638 -8.240 6.861 1.00 0.00 N ATOM 582 CA ILE A 39 -0.143 -9.516 7.182 1.00 0.00 C ATOM 583 C ILE A 39 0.423 -10.699 6.365 1.00 0.00 C ATOM 584 O ILE A 39 0.171 -11.851 6.695 1.00 0.00 O ATOM 585 CB ILE A 39 -1.665 -9.376 6.939 1.00 0.00 C ATOM 586 CG1 ILE A 39 -2.434 -10.387 7.792 1.00 0.00 C ATOM 587 CG2 ILE A 39 -2.010 -9.607 5.456 1.00 0.00 C ATOM 588 CD1 ILE A 39 -2.912 -9.731 9.089 1.00 0.00 C ATOM 0 H ILE A 39 1.626 -8.325 7.099 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.016 -9.705 8.248 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.954 -8.363 7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.288 -10.769 7.233 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.795 -11.240 8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.085 -9.503 5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.489 -8.872 4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.700 -10.610 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.458 -10.461 9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.052 -9.371 9.653 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.568 -8.893 8.853 1.00 0.00 H new ATOM 600 N LYS A 40 1.138 -10.404 5.278 1.00 0.00 N ATOM 601 CA LYS A 40 1.721 -11.426 4.351 1.00 0.00 C ATOM 602 C LYS A 40 0.665 -11.784 3.262 1.00 0.00 C ATOM 603 O LYS A 40 0.975 -11.817 2.083 1.00 0.00 O ATOM 604 CB LYS A 40 2.194 -12.705 5.084 1.00 0.00 C ATOM 605 CG LYS A 40 3.189 -13.482 4.200 1.00 0.00 C ATOM 606 CD LYS A 40 4.554 -13.578 4.898 1.00 0.00 C ATOM 607 CE LYS A 40 5.477 -12.463 4.393 1.00 0.00 C ATOM 608 NZ LYS A 40 6.817 -12.593 5.042 1.00 0.00 N ATOM 0 H LYS A 40 1.341 -9.445 4.997 1.00 0.00 H new ATOM 0 HA LYS A 40 2.609 -10.990 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.666 -12.439 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.337 -13.335 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.804 -14.482 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.299 -12.983 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.427 -13.496 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.004 -14.551 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.579 -12.523 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.045 -11.488 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.449 -11.847 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.714 -12.498 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.222 -13.525 4.819 1.00 0.00 H new ATOM 622 N LYS A 41 -0.582 -12.038 3.664 1.00 0.00 N ATOM 623 CA LYS A 41 -1.689 -12.390 2.700 1.00 0.00 C ATOM 624 C LYS A 41 -2.530 -11.139 2.317 1.00 0.00 C ATOM 625 O LYS A 41 -2.198 -10.022 2.665 1.00 0.00 O ATOM 626 CB LYS A 41 -2.606 -13.469 3.357 1.00 0.00 C ATOM 627 CG LYS A 41 -3.535 -12.867 4.467 1.00 0.00 C ATOM 628 CD LYS A 41 -2.910 -13.029 5.878 1.00 0.00 C ATOM 629 CE LYS A 41 -2.402 -14.461 6.131 1.00 0.00 C ATOM 630 NZ LYS A 41 -0.905 -14.451 6.216 1.00 0.00 N ATOM 0 H LYS A 41 -0.875 -12.013 4.641 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.244 -12.780 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.220 -13.938 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.986 -14.253 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.709 -11.810 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.506 -13.362 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.083 -12.327 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.652 -12.770 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.827 -14.851 7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.727 -15.121 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.595 -15.106 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.504 -14.749 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.576 -13.490 6.441 1.00 0.00 H new ATOM 644 N GLY A 42 -3.638 -11.344 1.618 1.00 0.00 N ATOM 645 CA GLY A 42 -4.548 -10.205 1.235 1.00 0.00 C ATOM 646 C GLY A 42 -5.815 -10.199 2.118 1.00 0.00 C ATOM 647 O GLY A 42 -6.469 -9.193 2.157 1.00 0.00 O ATOM 0 H GLY A 42 -3.949 -12.261 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.019 -9.258 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.830 -10.295 0.186 1.00 0.00 H new ATOM 651 N LEU A 43 -6.140 -11.319 2.821 1.00 0.00 N ATOM 652 CA LEU A 43 -7.368 -11.441 3.735 1.00 0.00 C ATOM 653 C LEU A 43 -8.315 -10.221 3.650 1.00 0.00 C ATOM 654 O LEU A 43 -9.105 -10.129 2.721 1.00 0.00 O ATOM 655 CB LEU A 43 -6.982 -11.768 5.227 1.00 0.00 C ATOM 656 CG LEU A 43 -5.748 -11.009 5.853 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.143 -9.884 4.998 1.00 0.00 C ATOM 658 CD2 LEU A 43 -6.163 -10.392 7.195 1.00 0.00 C ATOM 0 H LEU A 43 -5.579 -12.170 2.788 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.927 -12.295 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.852 -11.563 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.786 -12.838 5.295 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.977 -11.774 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.303 -9.435 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.796 -10.294 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.901 -9.124 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.314 -9.866 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.981 -9.690 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.489 -11.181 7.873 1.00 0.00 H new ATOM 670 N GLY A 44 -8.221 -9.276 4.564 1.00 0.00 N ATOM 671 CA GLY A 44 -9.057 -8.068 4.494 1.00 0.00 C ATOM 672 C GLY A 44 -8.330 -7.053 3.607 1.00 0.00 C ATOM 673 O GLY A 44 -7.583 -6.251 4.105 1.00 0.00 O ATOM 0 H GLY A 44 -7.585 -9.309 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.038 -8.304 4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.221 -7.658 5.490 1.00 0.00 H new ATOM 677 N ILE A 45 -8.532 -7.149 2.293 1.00 0.00 N ATOM 678 CA ILE A 45 -7.891 -6.291 1.220 1.00 0.00 C ATOM 679 C ILE A 45 -6.342 -6.524 1.144 1.00 0.00 C ATOM 680 O ILE A 45 -5.825 -6.791 0.073 1.00 0.00 O ATOM 681 CB ILE A 45 -8.331 -4.784 1.295 1.00 0.00 C ATOM 682 CG1 ILE A 45 -7.151 -3.843 1.588 1.00 0.00 C ATOM 683 CG2 ILE A 45 -9.469 -4.548 2.310 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.774 -3.819 3.053 1.00 0.00 C ATOM 0 H ILE A 45 -9.166 -7.845 1.901 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.279 -6.624 0.257 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.715 -4.544 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.288 -4.155 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.408 -2.834 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.733 -3.491 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.340 -5.137 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.138 -4.850 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.936 -3.139 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.626 -3.480 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.489 -4.822 3.372 1.00 0.00 H new ATOM 696 N SER A 46 -5.624 -6.465 2.260 1.00 0.00 N ATOM 697 CA SER A 46 -4.123 -6.721 2.290 1.00 0.00 C ATOM 698 C SER A 46 -3.561 -6.654 3.737 1.00 0.00 C ATOM 699 O SER A 46 -2.429 -6.259 3.944 1.00 0.00 O ATOM 700 CB SER A 46 -3.391 -5.711 1.401 1.00 0.00 C ATOM 701 OG SER A 46 -3.163 -6.293 0.120 1.00 0.00 O ATOM 0 H SER A 46 -6.023 -6.245 3.173 1.00 0.00 H new ATOM 0 HA SER A 46 -3.954 -7.727 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.983 -4.801 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.443 -5.426 1.858 1.00 0.00 H new ATOM 0 HG SER A 46 -4.010 -6.623 -0.245 1.00 0.00 H new ATOM 707 N TYR A 47 -4.362 -7.055 4.715 1.00 0.00 N ATOM 708 CA TYR A 47 -4.003 -7.072 6.176 1.00 0.00 C ATOM 709 C TYR A 47 -5.304 -7.402 6.975 1.00 0.00 C ATOM 710 O TYR A 47 -6.321 -7.712 6.383 1.00 0.00 O ATOM 711 CB TYR A 47 -3.433 -5.709 6.630 1.00 0.00 C ATOM 712 CG TYR A 47 -4.567 -4.780 6.911 1.00 0.00 C ATOM 713 CD1 TYR A 47 -5.568 -4.634 5.963 1.00 0.00 C ATOM 714 CD2 TYR A 47 -4.642 -4.125 8.118 1.00 0.00 C ATOM 715 CE1 TYR A 47 -6.636 -3.831 6.204 1.00 0.00 C ATOM 716 CE2 TYR A 47 -5.718 -3.302 8.368 1.00 0.00 C ATOM 717 CZ TYR A 47 -6.720 -3.141 7.416 1.00 0.00 C ATOM 718 OH TYR A 47 -7.770 -2.293 7.673 1.00 0.00 O ATOM 0 H TYR A 47 -5.309 -7.391 4.538 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.232 -7.820 6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.819 -5.835 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.788 -5.293 5.856 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.498 -5.164 5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.868 -4.254 8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.415 -3.726 5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.784 -2.778 9.310 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.663 -1.901 8.565 1.00 0.00 H new ATOM 728 N GLY A 48 -5.263 -7.270 8.292 1.00 0.00 N ATOM 729 CA GLY A 48 -6.454 -7.514 9.201 1.00 0.00 C ATOM 730 C GLY A 48 -7.812 -7.265 8.509 1.00 0.00 C ATOM 731 O GLY A 48 -8.502 -8.222 8.191 1.00 0.00 O ATOM 0 H GLY A 48 -4.420 -6.992 8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.422 -8.542 9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.375 -6.866 10.074 1.00 0.00 H new ATOM 735 N ARG A 49 -8.219 -6.007 8.295 1.00 0.00 N ATOM 736 CA ARG A 49 -9.566 -5.754 7.637 1.00 0.00 C ATOM 737 C ARG A 49 -9.843 -4.260 7.288 1.00 0.00 C ATOM 738 O ARG A 49 -10.237 -3.469 8.129 1.00 0.00 O ATOM 739 CB ARG A 49 -10.656 -6.315 8.566 1.00 0.00 C ATOM 740 CG ARG A 49 -10.630 -5.663 9.972 1.00 0.00 C ATOM 741 CD ARG A 49 -9.937 -6.591 10.982 1.00 0.00 C ATOM 742 NE ARG A 49 -10.897 -7.644 11.453 1.00 0.00 N ATOM 743 CZ ARG A 49 -10.582 -8.903 11.374 1.00 0.00 C ATOM 744 NH1 ARG A 49 -10.842 -9.569 10.290 1.00 0.00 N ATOM 745 NH2 ARG A 49 -10.007 -9.487 12.382 1.00 0.00 N ATOM 0 H ARG A 49 -7.689 -5.171 8.542 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.566 -6.261 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.634 -6.154 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.525 -7.392 8.666 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.106 -4.708 9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.648 -5.453 10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.068 -7.060 10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.574 -6.012 11.831 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.801 -7.371 11.837 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.293 -9.104 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.595 -10.557 10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.805 -8.958 13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.758 -10.474 12.325 1.00 0.00 H new ATOM 759 N LYS A 50 -9.670 -3.889 6.025 1.00 0.00 N ATOM 760 CA LYS A 50 -9.941 -2.462 5.574 1.00 0.00 C ATOM 761 C LYS A 50 -11.372 -2.331 4.984 1.00 0.00 C ATOM 762 O LYS A 50 -11.936 -1.249 4.995 1.00 0.00 O ATOM 763 CB LYS A 50 -8.895 -2.043 4.517 1.00 0.00 C ATOM 764 CG LYS A 50 -8.968 -0.542 4.230 1.00 0.00 C ATOM 765 CD LYS A 50 -9.628 -0.305 2.860 1.00 0.00 C ATOM 766 CE LYS A 50 -10.307 1.070 2.836 1.00 0.00 C ATOM 767 NZ LYS A 50 -11.741 0.930 3.227 1.00 0.00 N ATOM 0 H LYS A 50 -9.352 -4.514 5.284 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.867 -1.804 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.896 -2.300 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.062 -2.601 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.540 -0.040 5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.967 -0.111 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.878 -0.363 2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.362 -1.086 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.798 1.749 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.233 1.506 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.075 1.820 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.311 0.711 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.838 0.161 3.921 1.00 0.00 H new ATOM 781 N LYS A 51 -11.953 -3.422 4.473 1.00 0.00 N ATOM 782 CA LYS A 51 -13.354 -3.407 3.873 1.00 0.00 C ATOM 783 C LYS A 51 -13.347 -2.690 2.493 1.00 0.00 C ATOM 784 O LYS A 51 -12.295 -2.460 1.916 1.00 0.00 O ATOM 785 CB LYS A 51 -14.368 -2.718 4.828 1.00 0.00 C ATOM 786 CG LYS A 51 -14.257 -3.283 6.255 1.00 0.00 C ATOM 787 CD LYS A 51 -14.366 -2.136 7.279 1.00 0.00 C ATOM 788 CE LYS A 51 -13.049 -1.986 8.060 1.00 0.00 C ATOM 789 NZ LYS A 51 -12.889 -3.124 9.015 1.00 0.00 N ATOM 0 H LYS A 51 -11.503 -4.337 4.448 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.668 -4.442 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.185 -1.644 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.381 -2.863 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.046 -4.015 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.307 -3.803 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.600 -1.203 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.185 -2.334 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.207 -1.960 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.044 -1.041 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.878 -3.289 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.364 -2.895 9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.314 -3.981 8.608 1.00 0.00 H new ATOM 803 N ARG A 52 -14.518 -2.348 1.963 1.00 0.00 N ATOM 804 CA ARG A 52 -14.594 -1.651 0.633 1.00 0.00 C ATOM 805 C ARG A 52 -14.423 -0.123 0.860 1.00 0.00 C ATOM 806 O ARG A 52 -13.312 0.312 1.101 1.00 0.00 O ATOM 807 CB ARG A 52 -15.935 -1.997 -0.064 1.00 0.00 C ATOM 808 CG ARG A 52 -15.991 -3.494 -0.415 1.00 0.00 C ATOM 809 CD ARG A 52 -15.037 -3.800 -1.579 1.00 0.00 C ATOM 810 NE ARG A 52 -14.581 -5.227 -1.494 1.00 0.00 N ATOM 811 CZ ARG A 52 -13.677 -5.586 -0.630 1.00 0.00 C ATOM 812 NH1 ARG A 52 -12.418 -5.460 -0.923 1.00 0.00 N ATOM 813 NH2 ARG A 52 -14.043 -6.076 0.515 1.00 0.00 N ATOM 0 H ARG A 52 -15.421 -2.526 2.403 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.794 -1.988 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.768 -1.740 0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.045 -1.401 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.717 -4.090 0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.009 -3.774 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.540 -3.624 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.178 -3.130 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.984 -5.923 -2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.141 -5.081 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.707 -5.740 -0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.034 -6.178 0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.339 -6.359 1.197 1.00 0.00 H new ATOM 827 N ARG A 53 -15.492 0.689 0.808 1.00 0.00 N ATOM 828 CA ARG A 53 -15.377 2.184 1.035 1.00 0.00 C ATOM 829 C ARG A 53 -14.272 2.782 0.119 1.00 0.00 C ATOM 830 O ARG A 53 -13.167 3.079 0.556 1.00 0.00 O ATOM 831 CB ARG A 53 -15.080 2.444 2.527 1.00 0.00 C ATOM 832 CG ARG A 53 -15.922 3.624 3.030 1.00 0.00 C ATOM 833 CD ARG A 53 -15.042 4.571 3.850 1.00 0.00 C ATOM 834 NE ARG A 53 -15.598 5.958 3.766 1.00 0.00 N ATOM 835 CZ ARG A 53 -15.167 6.780 2.861 1.00 0.00 C ATOM 836 NH1 ARG A 53 -14.101 7.481 3.085 1.00 0.00 N ATOM 837 NH2 ARG A 53 -15.805 6.897 1.741 1.00 0.00 N ATOM 0 H ARG A 53 -16.440 0.366 0.616 1.00 0.00 H new ATOM 0 HA ARG A 53 -16.315 2.675 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.303 1.552 3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.020 2.658 2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.359 4.157 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.749 3.260 3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.005 4.244 4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.019 4.553 3.474 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.318 6.257 4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.604 7.385 3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.758 8.129 2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.645 6.343 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.468 7.543 1.027 1.00 0.00 H new ATOM 851 N GLN A 54 -14.573 2.923 -1.158 1.00 0.00 N ATOM 852 CA GLN A 54 -13.558 3.453 -2.153 1.00 0.00 C ATOM 853 C GLN A 54 -13.611 4.996 -2.332 1.00 0.00 C ATOM 854 O GLN A 54 -12.729 5.557 -2.964 1.00 0.00 O ATOM 855 CB GLN A 54 -13.729 2.756 -3.534 1.00 0.00 C ATOM 856 CG GLN A 54 -15.213 2.602 -3.969 1.00 0.00 C ATOM 857 CD GLN A 54 -15.917 3.964 -4.058 1.00 0.00 C ATOM 858 OE1 GLN A 54 -16.721 4.298 -3.213 1.00 0.00 O ATOM 859 NE2 GLN A 54 -15.655 4.768 -5.045 1.00 0.00 N ATOM 0 H GLN A 54 -15.482 2.694 -1.560 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.579 3.218 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.194 3.330 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.266 1.770 -3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -15.260 2.103 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -15.738 1.966 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.980 4.495 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.124 5.672 -5.105 1.00 0.00 H new ATOM 868 N ARG A 55 -14.618 5.686 -1.809 1.00 0.00 N ATOM 869 CA ARG A 55 -14.690 7.183 -1.983 1.00 0.00 C ATOM 870 C ARG A 55 -13.670 7.863 -1.046 1.00 0.00 C ATOM 871 O ARG A 55 -13.930 8.091 0.131 1.00 0.00 O ATOM 872 CB ARG A 55 -16.121 7.675 -1.702 1.00 0.00 C ATOM 873 CG ARG A 55 -16.835 7.938 -3.036 1.00 0.00 C ATOM 874 CD ARG A 55 -18.283 7.461 -2.955 1.00 0.00 C ATOM 875 NE ARG A 55 -18.980 7.807 -4.235 1.00 0.00 N ATOM 876 CZ ARG A 55 -20.042 8.552 -4.224 1.00 0.00 C ATOM 877 NH1 ARG A 55 -19.928 9.843 -4.319 1.00 0.00 N ATOM 878 NH2 ARG A 55 -21.210 8.000 -4.118 1.00 0.00 N ATOM 0 H ARG A 55 -15.384 5.277 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.439 7.446 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.668 6.930 -1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.094 8.586 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.806 9.002 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.317 7.420 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.316 6.385 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -18.788 7.931 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.617 7.455 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.005 10.269 -4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.762 10.431 -4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -21.290 6.986 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -22.049 8.580 -4.109 1.00 0.00 H new ATOM 892 N ARG A 56 -12.501 8.159 -1.571 1.00 0.00 N ATOM 893 CA ARG A 56 -11.408 8.798 -0.756 1.00 0.00 C ATOM 894 C ARG A 56 -10.606 9.821 -1.615 1.00 0.00 C ATOM 895 O ARG A 56 -10.997 10.152 -2.723 1.00 0.00 O ATOM 896 CB ARG A 56 -10.484 7.685 -0.191 1.00 0.00 C ATOM 897 CG ARG A 56 -10.065 6.684 -1.292 1.00 0.00 C ATOM 898 CD ARG A 56 -8.572 6.839 -1.599 1.00 0.00 C ATOM 899 NE ARG A 56 -8.321 6.541 -3.046 1.00 0.00 N ATOM 900 CZ ARG A 56 -7.107 6.492 -3.504 1.00 0.00 C ATOM 901 NH1 ARG A 56 -6.409 5.409 -3.374 1.00 0.00 N ATOM 902 NH2 ARG A 56 -6.602 7.535 -4.079 1.00 0.00 N ATOM 0 H ARG A 56 -12.253 7.983 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.846 9.351 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.595 8.137 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.000 7.153 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.274 5.665 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.650 6.857 -2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.246 7.852 -1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.990 6.164 -0.972 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.108 6.376 -3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.813 4.594 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.455 5.371 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.157 8.386 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.649 7.506 -4.442 1.00 0.00 H new ATOM 916 N ARG A 57 -9.504 10.336 -1.087 1.00 0.00 N ATOM 917 CA ARG A 57 -8.653 11.358 -1.822 1.00 0.00 C ATOM 918 C ARG A 57 -8.140 10.820 -3.191 1.00 0.00 C ATOM 919 O ARG A 57 -8.031 9.624 -3.369 1.00 0.00 O ATOM 920 CB ARG A 57 -7.439 11.729 -0.942 1.00 0.00 C ATOM 921 CG ARG A 57 -6.602 10.473 -0.623 1.00 0.00 C ATOM 922 CD ARG A 57 -5.114 10.824 -0.602 1.00 0.00 C ATOM 923 NE ARG A 57 -4.657 10.923 0.815 1.00 0.00 N ATOM 924 CZ ARG A 57 -4.050 9.935 1.391 1.00 0.00 C ATOM 925 NH1 ARG A 57 -4.730 8.925 1.816 1.00 0.00 N ATOM 926 NH2 ARG A 57 -2.773 9.984 1.565 1.00 0.00 N ATOM 0 H ARG A 57 -9.151 10.088 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.276 12.231 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.821 12.465 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.781 12.191 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.900 10.063 0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.791 9.701 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.540 10.062 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.943 11.768 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.825 11.782 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.743 8.906 1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.255 8.145 2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.246 10.798 1.249 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.290 9.208 2.018 1.00 0.00 H new ATOM 940 N PRO A 58 -7.809 11.726 -4.111 1.00 0.00 N ATOM 941 CA PRO A 58 -7.273 11.350 -5.450 1.00 0.00 C ATOM 942 C PRO A 58 -5.766 10.964 -5.378 1.00 0.00 C ATOM 943 O PRO A 58 -5.164 10.973 -4.313 1.00 0.00 O ATOM 944 CB PRO A 58 -7.495 12.621 -6.290 1.00 0.00 C ATOM 945 CG PRO A 58 -7.619 13.800 -5.295 1.00 0.00 C ATOM 946 CD PRO A 58 -7.947 13.193 -3.919 1.00 0.00 C ATOM 0 HA PRO A 58 -7.763 10.473 -5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.663 12.781 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.396 12.531 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.691 14.370 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.403 14.489 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.264 13.558 -3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.955 13.457 -3.600 1.00 0.00 H new ATOM 954 N SER A 59 -5.167 10.622 -6.521 1.00 0.00 N ATOM 955 CA SER A 59 -3.696 10.226 -6.595 1.00 0.00 C ATOM 956 C SER A 59 -3.435 8.850 -5.923 1.00 0.00 C ATOM 957 O SER A 59 -4.358 8.144 -5.546 1.00 0.00 O ATOM 958 CB SER A 59 -2.815 11.308 -5.948 1.00 0.00 C ATOM 959 OG SER A 59 -3.009 12.548 -6.622 1.00 0.00 O ATOM 0 H SER A 59 -5.646 10.601 -7.421 1.00 0.00 H new ATOM 0 HA SER A 59 -3.435 10.136 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.066 11.413 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.766 11.015 -5.998 1.00 0.00 H new ATOM 0 HG SER A 59 -2.448 13.237 -6.208 1.00 0.00 H new ATOM 965 N GLN A 60 -2.173 8.458 -5.785 1.00 0.00 N ATOM 966 CA GLN A 60 -1.821 7.132 -5.154 1.00 0.00 C ATOM 967 C GLN A 60 -1.688 7.279 -3.607 1.00 0.00 C ATOM 968 O GLN A 60 -0.680 6.917 -3.019 1.00 0.00 O ATOM 969 CB GLN A 60 -0.496 6.643 -5.776 1.00 0.00 C ATOM 970 CG GLN A 60 -0.341 5.126 -5.580 1.00 0.00 C ATOM 971 CD GLN A 60 1.138 4.778 -5.383 1.00 0.00 C ATOM 972 OE1 GLN A 60 1.808 4.385 -6.312 1.00 0.00 O ATOM 973 NE2 GLN A 60 1.680 4.911 -4.208 1.00 0.00 N ATOM 0 H GLN A 60 -1.369 9.008 -6.087 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.610 6.404 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.475 6.883 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.344 7.164 -5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.919 4.801 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.737 4.596 -6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.120 5.242 -3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.665 4.685 -4.072 1.00 0.00 H new ATOM 982 N GLY A 61 -2.715 7.798 -2.945 1.00 0.00 N ATOM 983 CA GLY A 61 -2.674 7.965 -1.448 1.00 0.00 C ATOM 984 C GLY A 61 -3.293 6.733 -0.770 1.00 0.00 C ATOM 985 O GLY A 61 -4.436 6.394 -1.026 1.00 0.00 O ATOM 0 H GLY A 61 -3.580 8.112 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.644 8.096 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.219 8.863 -1.158 1.00 0.00 H new ATOM 989 N GLY A 62 -2.542 6.065 0.087 1.00 0.00 N ATOM 990 CA GLY A 62 -3.060 4.836 0.797 1.00 0.00 C ATOM 991 C GLY A 62 -4.056 5.209 1.911 1.00 0.00 C ATOM 992 O GLY A 62 -4.226 6.369 2.236 1.00 0.00 O ATOM 0 H GLY A 62 -1.584 6.320 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.546 4.176 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.225 4.282 1.224 1.00 0.00 H new ATOM 996 N GLN A 63 -4.679 4.223 2.535 1.00 0.00 N ATOM 997 CA GLN A 63 -5.619 4.506 3.668 1.00 0.00 C ATOM 998 C GLN A 63 -4.740 4.685 4.905 1.00 0.00 C ATOM 999 O GLN A 63 -4.540 3.742 5.653 1.00 0.00 O ATOM 1000 CB GLN A 63 -6.593 3.327 3.883 1.00 0.00 C ATOM 1001 CG GLN A 63 -7.664 3.720 4.923 1.00 0.00 C ATOM 1002 CD GLN A 63 -8.223 2.474 5.620 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -9.418 2.285 5.669 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -7.414 1.611 6.165 1.00 0.00 N ATOM 0 H GLN A 63 -4.572 3.235 2.303 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.224 5.390 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.069 3.059 2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.046 2.448 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.231 4.393 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.472 4.263 4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.406 1.763 6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.788 0.783 6.629 1.00 0.00 H new ATOM 1013 N THR A 64 -4.172 5.877 5.075 1.00 0.00 N ATOM 1014 CA THR A 64 -3.237 6.166 6.219 1.00 0.00 C ATOM 1015 C THR A 64 -2.151 5.083 6.248 1.00 0.00 C ATOM 1016 O THR A 64 -2.186 4.162 7.046 1.00 0.00 O ATOM 1017 CB THR A 64 -4.021 6.265 7.551 1.00 0.00 C ATOM 1018 OG1 THR A 64 -4.663 5.034 7.884 1.00 0.00 O ATOM 1019 CG2 THR A 64 -5.090 7.337 7.392 1.00 0.00 C ATOM 0 H THR A 64 -4.326 6.670 4.452 1.00 0.00 H new ATOM 0 HA THR A 64 -2.751 7.132 6.081 1.00 0.00 H new ATOM 0 HB THR A 64 -3.317 6.507 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.382 4.338 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.657 7.426 8.319 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.617 8.292 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.763 7.062 6.580 1.00 0.00 H new ATOM 1027 N HIS A 65 -1.170 5.213 5.378 1.00 0.00 N ATOM 1028 CA HIS A 65 -0.058 4.212 5.323 1.00 0.00 C ATOM 1029 C HIS A 65 0.804 4.358 6.548 1.00 0.00 C ATOM 1030 O HIS A 65 1.528 3.431 6.884 1.00 0.00 O ATOM 1031 CB HIS A 65 0.809 4.308 4.022 1.00 0.00 C ATOM 1032 CG HIS A 65 0.790 5.669 3.375 1.00 0.00 C ATOM 1033 ND1 HIS A 65 0.403 5.839 2.059 1.00 0.00 N ATOM 1034 CD2 HIS A 65 1.086 6.921 3.841 1.00 0.00 C ATOM 1035 CE1 HIS A 65 0.468 7.151 1.784 1.00 0.00 C ATOM 1036 NE2 HIS A 65 0.879 7.852 2.837 1.00 0.00 N ATOM 0 H HIS A 65 -1.095 5.974 4.703 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.517 3.223 5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.839 4.046 4.263 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.452 3.570 3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.429 7.148 4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.218 7.584 0.827 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.013 8.862 2.893 1.00 0.00 H new ATOM 1044 N GLN A 66 0.735 5.501 7.229 1.00 0.00 N ATOM 1045 CA GLN A 66 1.563 5.689 8.426 1.00 0.00 C ATOM 1046 C GLN A 66 1.293 7.051 9.111 1.00 0.00 C ATOM 1047 O GLN A 66 2.013 8.015 8.911 1.00 0.00 O ATOM 1048 CB GLN A 66 3.010 5.567 7.980 1.00 0.00 C ATOM 1049 CG GLN A 66 3.315 6.493 6.793 1.00 0.00 C ATOM 1050 CD GLN A 66 4.204 5.774 5.782 1.00 0.00 C ATOM 1051 OE1 GLN A 66 3.777 4.855 5.126 1.00 0.00 O ATOM 1052 NE2 GLN A 66 5.436 6.148 5.637 1.00 0.00 N ATOM 0 H GLN A 66 0.136 6.290 6.986 1.00 0.00 H new ATOM 0 HA GLN A 66 1.323 4.935 9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.670 5.812 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.219 4.535 7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.386 6.803 6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.810 7.398 7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.802 6.924 6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.040 5.666 4.971 1.00 0.00 H new ATOM 1061 N ASP A 67 0.251 7.129 9.914 1.00 0.00 N ATOM 1062 CA ASP A 67 -0.093 8.412 10.599 1.00 0.00 C ATOM 1063 C ASP A 67 0.223 8.374 12.141 1.00 0.00 C ATOM 1064 O ASP A 67 1.070 9.140 12.572 1.00 0.00 O ATOM 1065 CB ASP A 67 -1.573 8.723 10.290 1.00 0.00 C ATOM 1066 CG ASP A 67 -2.069 9.922 11.103 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -1.802 11.039 10.701 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -2.712 9.696 12.113 1.00 0.00 O ATOM 0 H ASP A 67 -0.376 6.351 10.122 1.00 0.00 H new ATOM 0 HA ASP A 67 0.533 9.219 10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.689 8.929 9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.185 7.850 10.515 1.00 0.00 H new ATOM 1073 N PRO A 68 -0.425 7.498 12.944 1.00 0.00 N ATOM 1074 CA PRO A 68 -0.174 7.401 14.427 1.00 0.00 C ATOM 1075 C PRO A 68 1.142 6.634 14.774 1.00 0.00 C ATOM 1076 O PRO A 68 1.220 5.928 15.769 1.00 0.00 O ATOM 1077 CB PRO A 68 -1.390 6.628 14.941 1.00 0.00 C ATOM 1078 CG PRO A 68 -1.910 5.822 13.744 1.00 0.00 C ATOM 1079 CD PRO A 68 -1.454 6.553 12.482 1.00 0.00 C ATOM 0 HA PRO A 68 -0.048 8.386 14.877 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.115 5.970 15.765 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.155 7.307 15.317 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.518 4.805 13.764 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.997 5.745 13.774 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.050 5.857 11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.284 7.074 12.005 1.00 0.00 H new ATOM 1087 N ILE A 69 2.162 6.790 13.963 1.00 0.00 N ATOM 1088 CA ILE A 69 3.505 6.128 14.176 1.00 0.00 C ATOM 1089 C ILE A 69 4.133 6.564 15.546 1.00 0.00 C ATOM 1090 O ILE A 69 3.590 7.437 16.212 1.00 0.00 O ATOM 1091 CB ILE A 69 4.424 6.529 12.996 1.00 0.00 C ATOM 1092 CG1 ILE A 69 4.727 8.025 13.078 1.00 0.00 C ATOM 1093 CG2 ILE A 69 3.762 6.212 11.641 1.00 0.00 C ATOM 1094 CD1 ILE A 69 6.174 8.202 13.511 1.00 0.00 C ATOM 0 H ILE A 69 2.123 7.372 13.126 1.00 0.00 H new ATOM 0 HA ILE A 69 3.387 5.045 14.209 1.00 0.00 H new ATOM 0 HB ILE A 69 5.347 5.954 13.067 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.561 8.499 12.110 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.057 8.509 13.789 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.431 6.505 10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.560 5.143 11.576 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.826 6.764 11.555 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.407 9.265 13.575 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.321 7.739 14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.832 7.729 12.782 1.00 0.00 H new ATOM 1106 N PRO A 70 5.261 5.958 15.942 1.00 0.00 N ATOM 1107 CA PRO A 70 5.930 6.299 17.226 1.00 0.00 C ATOM 1108 C PRO A 70 6.629 7.696 17.185 1.00 0.00 C ATOM 1109 O PRO A 70 7.840 7.807 17.284 1.00 0.00 O ATOM 1110 CB PRO A 70 6.911 5.132 17.444 1.00 0.00 C ATOM 1111 CG PRO A 70 7.153 4.494 16.059 1.00 0.00 C ATOM 1112 CD PRO A 70 5.968 4.903 15.168 1.00 0.00 C ATOM 0 HA PRO A 70 5.228 6.402 18.053 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.847 5.488 17.875 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.497 4.402 18.140 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.095 4.841 15.633 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.220 3.409 16.140 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.309 5.280 14.204 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.314 4.055 14.965 1.00 0.00 H new ATOM 1120 N LYS A 71 5.825 8.754 17.127 1.00 0.00 N ATOM 1121 CA LYS A 71 6.299 10.195 17.150 1.00 0.00 C ATOM 1122 C LYS A 71 7.280 10.569 16.005 1.00 0.00 C ATOM 1123 O LYS A 71 8.455 10.248 16.042 1.00 0.00 O ATOM 1124 CB LYS A 71 6.935 10.496 18.513 1.00 0.00 C ATOM 1125 CG LYS A 71 5.893 10.275 19.621 1.00 0.00 C ATOM 1126 CD LYS A 71 6.521 9.492 20.773 1.00 0.00 C ATOM 1127 CE LYS A 71 6.528 7.988 20.467 1.00 0.00 C ATOM 1128 NZ LYS A 71 7.920 7.542 20.130 1.00 0.00 N ATOM 0 H LYS A 71 4.811 8.668 17.062 1.00 0.00 H new ATOM 0 HA LYS A 71 5.416 10.812 16.986 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.798 9.850 18.675 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.298 11.524 18.539 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.522 11.235 19.981 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.036 9.731 19.224 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.541 9.839 20.942 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.965 9.679 21.692 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.157 7.431 21.327 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.857 7.774 19.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.968 6.503 20.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.170 7.876 19.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.588 7.937 20.822 1.00 0.00 H new ATOM 1142 N GLN A 72 6.789 11.303 15.011 1.00 0.00 N ATOM 1143 CA GLN A 72 7.663 11.774 13.869 1.00 0.00 C ATOM 1144 C GLN A 72 7.004 12.993 13.161 1.00 0.00 C ATOM 1145 O GLN A 72 5.815 12.955 12.893 1.00 0.00 O ATOM 1146 CB GLN A 72 7.882 10.644 12.850 1.00 0.00 C ATOM 1147 CG GLN A 72 9.092 10.975 11.957 1.00 0.00 C ATOM 1148 CD GLN A 72 9.657 9.701 11.312 1.00 0.00 C ATOM 1149 OE1 GLN A 72 9.968 8.745 11.990 1.00 0.00 O ATOM 1150 NE2 GLN A 72 9.816 9.647 10.025 1.00 0.00 N ATOM 0 H GLN A 72 5.814 11.595 14.945 1.00 0.00 H new ATOM 0 HA GLN A 72 8.629 12.070 14.278 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.049 9.701 13.370 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.990 10.517 12.237 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.795 11.680 11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.866 11.462 12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.558 10.445 9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.199 8.806 9.593 1.00 0.00 H new ATOM 1159 N PRO A 73 7.789 14.039 12.858 1.00 0.00 N ATOM 1160 CA PRO A 73 7.273 15.254 12.157 1.00 0.00 C ATOM 1161 C PRO A 73 7.140 14.969 10.633 1.00 0.00 C ATOM 1162 O PRO A 73 7.809 15.572 9.807 1.00 0.00 O ATOM 1163 CB PRO A 73 8.338 16.321 12.468 1.00 0.00 C ATOM 1164 CG PRO A 73 9.641 15.559 12.813 1.00 0.00 C ATOM 1165 CD PRO A 73 9.238 14.117 13.180 1.00 0.00 C ATOM 0 HA PRO A 73 6.281 15.570 12.479 1.00 0.00 H new ATOM 0 HB2 PRO A 73 8.489 16.979 11.612 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.025 16.950 13.301 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.326 15.564 11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.159 16.038 13.644 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.811 13.387 12.608 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.421 13.910 14.234 1.00 0.00 H new ATOM 1173 N SER A 74 6.280 14.022 10.290 1.00 0.00 N ATOM 1174 CA SER A 74 6.033 13.582 8.860 1.00 0.00 C ATOM 1175 C SER A 74 5.210 12.279 8.928 1.00 0.00 C ATOM 1176 O SER A 74 4.005 12.337 9.085 1.00 0.00 O ATOM 1177 CB SER A 74 7.368 13.364 8.095 1.00 0.00 C ATOM 1178 OG SER A 74 8.265 12.581 8.888 1.00 0.00 O ATOM 0 H SER A 74 5.716 13.515 10.972 1.00 0.00 H new ATOM 0 HA SER A 74 5.491 14.352 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.175 12.862 7.147 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.823 14.326 7.860 1.00 0.00 H new ATOM 0 HG SER A 74 9.103 12.447 8.398 1.00 0.00 H new ATOM 1184 N SER A 75 5.834 11.120 8.852 1.00 0.00 N ATOM 1185 CA SER A 75 5.078 9.827 8.933 1.00 0.00 C ATOM 1186 C SER A 75 6.065 8.669 9.260 1.00 0.00 C ATOM 1187 O SER A 75 7.204 8.914 9.608 1.00 0.00 O ATOM 1188 CB SER A 75 4.345 9.615 7.585 1.00 0.00 C ATOM 1189 OG SER A 75 5.253 9.137 6.590 1.00 0.00 O ATOM 0 H SER A 75 6.842 11.017 8.736 1.00 0.00 H new ATOM 0 HA SER A 75 4.335 9.848 9.731 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.531 8.902 7.715 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.897 10.553 7.256 1.00 0.00 H new ATOM 0 HG SER A 75 4.755 8.898 5.780 1.00 0.00 H new ATOM 1195 N GLN A 76 5.637 7.420 9.174 1.00 0.00 N ATOM 1196 CA GLN A 76 6.548 6.245 9.489 1.00 0.00 C ATOM 1197 C GLN A 76 7.813 6.287 8.582 1.00 0.00 C ATOM 1198 O GLN A 76 7.683 6.469 7.384 1.00 0.00 O ATOM 1199 CB GLN A 76 5.799 4.921 9.228 1.00 0.00 C ATOM 1200 CG GLN A 76 6.646 3.717 9.686 1.00 0.00 C ATOM 1201 CD GLN A 76 5.758 2.474 9.825 1.00 0.00 C ATOM 1202 OE1 GLN A 76 5.357 1.889 8.843 1.00 0.00 O ATOM 1203 NE2 GLN A 76 5.424 2.047 11.005 1.00 0.00 N ATOM 0 H GLN A 76 4.691 7.159 8.898 1.00 0.00 H new ATOM 0 HA GLN A 76 6.845 6.308 10.536 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.847 4.925 9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.572 4.829 8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.442 3.527 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.125 3.940 10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.758 2.534 11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.828 1.225 11.100 1.00 0.00 H new ATOM 1212 N PRO A 77 8.999 6.090 9.164 1.00 0.00 N ATOM 1213 CA PRO A 77 10.262 6.078 8.383 1.00 0.00 C ATOM 1214 C PRO A 77 10.342 4.784 7.541 1.00 0.00 C ATOM 1215 O PRO A 77 10.433 4.844 6.328 1.00 0.00 O ATOM 1216 CB PRO A 77 11.359 6.168 9.456 1.00 0.00 C ATOM 1217 CG PRO A 77 10.720 5.680 10.777 1.00 0.00 C ATOM 1218 CD PRO A 77 9.196 5.854 10.620 1.00 0.00 C ATOM 0 HA PRO A 77 10.352 6.893 7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.216 5.550 9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.722 7.191 9.555 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.973 4.637 10.968 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.091 6.258 11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.658 4.967 10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.829 6.692 11.212 1.00 0.00 H new ATOM 1226 N ARG A 78 10.256 3.622 8.172 1.00 0.00 N ATOM 1227 CA ARG A 78 10.266 2.337 7.415 1.00 0.00 C ATOM 1228 C ARG A 78 8.813 2.053 6.963 1.00 0.00 C ATOM 1229 O ARG A 78 8.026 1.476 7.700 1.00 0.00 O ATOM 1230 CB ARG A 78 10.800 1.197 8.315 1.00 0.00 C ATOM 1231 CG ARG A 78 11.306 0.024 7.454 1.00 0.00 C ATOM 1232 CD ARG A 78 10.122 -0.813 6.946 1.00 0.00 C ATOM 1233 NE ARG A 78 10.070 -2.111 7.681 1.00 0.00 N ATOM 1234 CZ ARG A 78 10.368 -3.217 7.083 1.00 0.00 C ATOM 1235 NH1 ARG A 78 9.617 -3.657 6.118 1.00 0.00 N ATOM 1236 NH2 ARG A 78 11.412 -3.883 7.457 1.00 0.00 N ATOM 0 H ARG A 78 10.179 3.521 9.184 1.00 0.00 H new ATOM 0 HA ARG A 78 10.921 2.401 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.609 1.570 8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.010 0.852 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.880 0.405 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.979 -0.603 8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.190 -0.266 7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.225 -0.994 5.876 1.00 0.00 H new ATOM 0 HE ARG A 78 9.797 -2.125 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.792 -3.129 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.852 -4.530 5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.993 -3.534 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.654 -4.757 6.990 1.00 0.00 H new ATOM 1250 N GLY A 79 8.455 2.482 5.771 1.00 0.00 N ATOM 1251 CA GLY A 79 7.055 2.269 5.256 1.00 0.00 C ATOM 1252 C GLY A 79 6.916 2.853 3.841 1.00 0.00 C ATOM 1253 O GLY A 79 7.801 2.699 3.014 1.00 0.00 O ATOM 0 H GLY A 79 9.075 2.974 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.823 1.204 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.337 2.743 5.925 1.00 0.00 H new ATOM 1257 N ASP A 80 5.822 3.532 3.569 1.00 0.00 N ATOM 1258 CA ASP A 80 5.601 4.163 2.225 1.00 0.00 C ATOM 1259 C ASP A 80 6.424 5.490 2.148 1.00 0.00 C ATOM 1260 O ASP A 80 6.693 6.090 3.177 1.00 0.00 O ATOM 1261 CB ASP A 80 4.083 4.439 2.091 1.00 0.00 C ATOM 1262 CG ASP A 80 3.558 4.058 0.703 1.00 0.00 C ATOM 1263 OD1 ASP A 80 3.695 2.904 0.323 1.00 0.00 O ATOM 1264 OD2 ASP A 80 3.001 4.923 0.054 1.00 0.00 O ATOM 0 H ASP A 80 5.062 3.677 4.233 1.00 0.00 H new ATOM 0 HA ASP A 80 5.929 3.514 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.542 3.876 2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.887 5.495 2.277 1.00 0.00 H new ATOM 1269 N PRO A 81 6.822 5.919 0.947 1.00 0.00 N ATOM 1270 CA PRO A 81 7.623 7.168 0.775 1.00 0.00 C ATOM 1271 C PRO A 81 6.716 8.418 0.935 1.00 0.00 C ATOM 1272 O PRO A 81 6.375 9.094 -0.029 1.00 0.00 O ATOM 1273 CB PRO A 81 8.194 7.030 -0.646 1.00 0.00 C ATOM 1274 CG PRO A 81 7.268 6.043 -1.399 1.00 0.00 C ATOM 1275 CD PRO A 81 6.519 5.223 -0.328 1.00 0.00 C ATOM 0 HA PRO A 81 8.411 7.295 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.221 7.997 -1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.218 6.657 -0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.565 6.582 -2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.849 5.389 -2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.447 5.200 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.862 4.189 -0.307 1.00 0.00 H new ATOM 1283 N THR A 82 6.290 8.690 2.157 1.00 0.00 N ATOM 1284 CA THR A 82 5.368 9.824 2.446 1.00 0.00 C ATOM 1285 C THR A 82 5.923 10.732 3.588 1.00 0.00 C ATOM 1286 O THR A 82 7.119 10.907 3.731 1.00 0.00 O ATOM 1287 CB THR A 82 3.998 9.200 2.802 1.00 0.00 C ATOM 1288 OG1 THR A 82 4.155 8.278 3.888 1.00 0.00 O ATOM 1289 CG2 THR A 82 3.425 8.502 1.549 1.00 0.00 C ATOM 0 H THR A 82 6.557 8.151 2.981 1.00 0.00 H new ATOM 0 HA THR A 82 5.268 10.480 1.582 1.00 0.00 H new ATOM 0 HB THR A 82 3.299 9.974 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.376 8.333 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.459 8.059 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.300 9.233 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.111 7.721 1.222 1.00 0.00 H new ATOM 1297 N GLY A 83 5.045 11.336 4.362 1.00 0.00 N ATOM 1298 CA GLY A 83 5.415 12.266 5.472 1.00 0.00 C ATOM 1299 C GLY A 83 4.156 13.099 5.737 1.00 0.00 C ATOM 1300 O GLY A 83 3.349 12.723 6.553 1.00 0.00 O ATOM 0 H GLY A 83 4.038 11.211 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.717 11.715 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.255 12.901 5.190 1.00 0.00 H new ATOM 1304 N PRO A 84 3.948 14.140 4.946 1.00 0.00 N ATOM 1305 CA PRO A 84 2.724 14.955 5.003 1.00 0.00 C ATOM 1306 C PRO A 84 1.826 14.339 3.909 1.00 0.00 C ATOM 1307 O PRO A 84 1.464 14.987 2.935 1.00 0.00 O ATOM 1308 CB PRO A 84 3.235 16.353 4.615 1.00 0.00 C ATOM 1309 CG PRO A 84 4.549 16.126 3.805 1.00 0.00 C ATOM 1310 CD PRO A 84 4.886 14.625 3.916 1.00 0.00 C ATOM 0 HA PRO A 84 2.176 14.996 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.496 16.886 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.424 16.959 5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.416 16.416 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.360 16.735 4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.742 14.109 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.923 14.467 4.211 1.00 0.00 H new ATOM 1318 N LYS A 85 1.592 13.037 4.011 1.00 0.00 N ATOM 1319 CA LYS A 85 0.874 12.309 2.940 1.00 0.00 C ATOM 1320 C LYS A 85 -0.106 11.238 3.476 1.00 0.00 C ATOM 1321 O LYS A 85 -0.402 10.296 2.773 1.00 0.00 O ATOM 1322 CB LYS A 85 1.983 11.669 2.070 1.00 0.00 C ATOM 1323 CG LYS A 85 1.826 11.886 0.545 1.00 0.00 C ATOM 1324 CD LYS A 85 0.444 12.462 0.144 1.00 0.00 C ATOM 1325 CE LYS A 85 0.413 13.983 0.392 1.00 0.00 C ATOM 1326 NZ LYS A 85 -0.154 14.683 -0.801 1.00 0.00 N ATOM 0 H LYS A 85 1.877 12.461 4.803 1.00 0.00 H new ATOM 0 HA LYS A 85 0.241 12.993 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.946 12.072 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.007 10.598 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.607 12.563 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.978 10.936 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.245 12.253 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.343 11.975 0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.188 14.204 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.420 14.348 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.172 15.708 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.437 14.484 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.122 14.345 -0.974 1.00 0.00 H new ATOM 1340 N GLU A 86 -0.643 11.439 4.665 1.00 0.00 N ATOM 1341 CA GLU A 86 -1.677 10.512 5.294 1.00 0.00 C ATOM 1342 C GLU A 86 -1.322 8.993 5.132 1.00 0.00 C ATOM 1343 O GLU A 86 -0.564 8.499 5.956 1.00 0.00 O ATOM 1344 CB GLU A 86 -3.078 10.824 4.696 1.00 0.00 C ATOM 1345 CG GLU A 86 -3.332 12.352 4.623 1.00 0.00 C ATOM 1346 CD GLU A 86 -3.403 12.823 3.160 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -2.359 12.988 2.537 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -4.507 13.011 2.677 1.00 0.00 O ATOM 1349 OXT GLU A 86 -1.829 8.339 4.213 1.00 0.00 O ATOM 0 H GLU A 86 -0.402 12.237 5.254 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.681 10.702 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.154 10.392 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.849 10.354 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.263 12.596 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.535 12.883 5.143 1.00 0.00 H new TER 1356 GLU A 86