USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN :FLIP amide:sc= 0.671 F(o=0.22,f=1.6) USER MOD Set 1.2: A 74 SER OG : rot 165:sc= 0.947 USER MOD Set 2.1: A 40 THR OG1 : rot 169:sc= 1.72 USER MOD Set 2.2: A 47 TYR OH : rot 144:sc= -1.16! USER MOD Set 3.1: A 7 ASN : amide:sc= -0.275 X(o=-0.27,f=0.17) USER MOD Set 3.2: A 37 CYS SG : rot 180:sc= 0 USER MOD Set 4.1: A 30 CYS SG : rot -70:sc= 0.134 USER MOD Set 4.2: A 31 CYS SG : rot 53:sc= -0.0463 USER MOD Set 5.1: A 25 CYS SG : rot 180:sc= 0.0868 USER MOD Set 5.2: A 29 LYS NZ :NH3+ -121:sc= 0.0614 (180deg=0) USER MOD Set 6.1: A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00319) USER MOD Set 6.2: A 64 THR OG1 : rot -170:sc= 0 USER MOD Set 6.3: A 76 GLN :FLIP amide:sc= -2.21 F(o=-2.9!,f=-2.2) USER MOD Set 7.1: A 12 ASN : amide:sc= -2.67! X(o=-14!,f=-14) USER MOD Set 7.2: A 63 GLN :FLIP amide:sc= -6.62! C(o=-16!,f=-14!) USER MOD Set 7.3: A 65 HIS :FLIP no HD1:sc= -4.71! C(o=-15!,f=-14!) USER MOD Single : A 1 LEU N :NH3+ 130:sc= 0.0545 (180deg=-0.347) USER MOD Single : A 13 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.81) USER MOD Single : A 16 SER OG : rot -46:sc= 0.128 USER MOD Single : A 17 GLN : amide:sc= -1.03 X(o=-1,f=-0.73) USER MOD Single : A 20 THR OG1 : rot 1:sc= 0.781 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -8.93! C(o=-8.9!,f=-8.8!) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -9! C(o=-9.7!,f=-9!) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0.367 (180deg=0.342) USER MOD Single : A 32 TYR OH : rot 5:sc= 1.7 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -37:sc= -0.963 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.275 F(o=-3.3,f=0.27) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.975 (180deg=-1.59) USER MOD Single : A 46 SER OG : rot -113:sc= -2.08! 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= -0.885 K(o=-0.89,f=-6!) USER MOD Single : A 59 SER OG : rot -150:sc= -0.138 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.675 F(o=-5.7!,f=-0.67) USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 0.174 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -3.92! C(o=-3.9!,f=-4.2!) USER MOD Single : A 75 SER OG : rot 150:sc= 0.00762 USER MOD Single : A 82 THR OG1 : rot 80:sc= -0.657 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.077 -10.317 2.887 1.00 0.00 N ATOM 2 CA LEU A 1 13.267 -9.066 3.026 1.00 0.00 C ATOM 3 C LEU A 1 14.090 -7.840 2.620 1.00 0.00 C ATOM 4 O LEU A 1 15.270 -7.937 2.335 1.00 0.00 O ATOM 5 CB LEU A 1 12.868 -8.995 4.508 1.00 0.00 C ATOM 6 CG LEU A 1 14.105 -8.749 5.383 1.00 0.00 C ATOM 7 CD1 LEU A 1 13.975 -7.398 6.094 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.268 -9.871 6.411 1.00 0.00 C ATOM 0 H1 LEU A 1 14.011 -10.872 3.764 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.712 -10.880 2.092 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.071 -10.069 2.708 1.00 0.00 H new ATOM 0 HA LEU A 1 12.391 -9.078 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.143 -8.195 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.383 -9.925 4.806 1.00 0.00 H new ATOM 0 HG LEU A 1 14.989 -8.736 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 1 14.855 -7.227 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.893 -6.603 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.084 -7.401 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.150 -9.679 7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.386 -9.910 7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.385 -10.824 5.894 1.00 0.00 H new ATOM 22 N ASP A 2 13.460 -6.687 2.586 1.00 0.00 N ATOM 23 CA ASP A 2 14.166 -5.427 2.190 1.00 0.00 C ATOM 24 C ASP A 2 15.013 -5.635 0.917 1.00 0.00 C ATOM 25 O ASP A 2 16.195 -5.343 0.906 1.00 0.00 O ATOM 26 CB ASP A 2 15.050 -5.075 3.389 1.00 0.00 C ATOM 27 CG ASP A 2 15.433 -3.593 3.331 1.00 0.00 C ATOM 28 OD1 ASP A 2 14.567 -2.767 3.565 1.00 0.00 O ATOM 29 OD2 ASP A 2 16.587 -3.310 3.054 1.00 0.00 O ATOM 0 H ASP A 2 12.474 -6.566 2.819 1.00 0.00 H new ATOM 0 HA ASP A 2 13.464 -4.628 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.521 -5.288 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.948 -5.693 3.385 1.00 0.00 H new ATOM 34 N PRO A 3 14.372 -6.122 -0.125 1.00 0.00 N ATOM 35 CA PRO A 3 15.061 -6.352 -1.409 1.00 0.00 C ATOM 36 C PRO A 3 14.928 -5.087 -2.280 1.00 0.00 C ATOM 37 O PRO A 3 15.735 -4.182 -2.187 1.00 0.00 O ATOM 38 CB PRO A 3 14.304 -7.543 -1.992 1.00 0.00 C ATOM 39 CG PRO A 3 12.938 -7.504 -1.353 1.00 0.00 C ATOM 40 CD PRO A 3 12.963 -6.501 -0.218 1.00 0.00 C ATOM 0 HA PRO A 3 16.130 -6.552 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.232 -7.469 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.815 -8.480 -1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.184 -7.224 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.667 -8.491 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.329 -5.640 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.604 -6.940 0.713 1.00 0.00 H new ATOM 48 N VAL A 4 13.889 -4.995 -3.086 1.00 0.00 N ATOM 49 CA VAL A 4 13.677 -3.764 -3.911 1.00 0.00 C ATOM 50 C VAL A 4 13.228 -2.652 -2.954 1.00 0.00 C ATOM 51 O VAL A 4 13.965 -1.736 -2.647 1.00 0.00 O ATOM 52 CB VAL A 4 12.556 -4.141 -4.894 1.00 0.00 C ATOM 53 CG1 VAL A 4 11.784 -2.966 -5.505 1.00 0.00 C ATOM 54 CG2 VAL A 4 13.146 -4.966 -6.041 1.00 0.00 C ATOM 0 H VAL A 4 13.182 -5.721 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 4 14.560 -3.420 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 4 11.836 -4.698 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.019 -3.346 -6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.311 -2.389 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.472 -2.327 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.354 -5.235 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.904 -4.379 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.601 -5.872 -5.641 1.00 0.00 H new ATOM 64 N ASP A 5 12.037 -2.791 -2.436 1.00 0.00 N ATOM 65 CA ASP A 5 11.504 -1.833 -1.432 1.00 0.00 C ATOM 66 C ASP A 5 10.869 -2.702 -0.331 1.00 0.00 C ATOM 67 O ASP A 5 11.464 -2.867 0.714 1.00 0.00 O ATOM 68 CB ASP A 5 10.507 -0.928 -2.193 1.00 0.00 C ATOM 69 CG ASP A 5 9.412 -0.358 -1.270 1.00 0.00 C ATOM 70 OD1 ASP A 5 9.640 -0.255 -0.075 1.00 0.00 O ATOM 71 OD2 ASP A 5 8.355 -0.028 -1.785 1.00 0.00 O ATOM 0 H ASP A 5 11.398 -3.549 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 5 12.236 -1.179 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.050 -0.106 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.041 -1.499 -2.996 1.00 0.00 H new ATOM 76 N PRO A 6 9.725 -3.303 -0.616 1.00 0.00 N ATOM 77 CA PRO A 6 9.089 -4.220 0.336 1.00 0.00 C ATOM 78 C PRO A 6 9.416 -5.653 -0.117 1.00 0.00 C ATOM 79 O PRO A 6 10.377 -5.864 -0.827 1.00 0.00 O ATOM 80 CB PRO A 6 7.612 -3.903 0.162 1.00 0.00 C ATOM 81 CG PRO A 6 7.497 -3.341 -1.232 1.00 0.00 C ATOM 82 CD PRO A 6 8.891 -3.203 -1.812 1.00 0.00 C ATOM 0 HA PRO A 6 9.408 -4.124 1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.000 -4.797 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.272 -3.184 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.890 -3.997 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.998 -2.372 -1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.114 -3.990 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.027 -2.252 -2.327 1.00 0.00 H new ATOM 90 N ASN A 7 8.636 -6.634 0.249 1.00 0.00 N ATOM 91 CA ASN A 7 8.952 -8.024 -0.211 1.00 0.00 C ATOM 92 C ASN A 7 8.594 -8.196 -1.696 1.00 0.00 C ATOM 93 O ASN A 7 9.418 -8.612 -2.488 1.00 0.00 O ATOM 94 CB ASN A 7 8.111 -8.953 0.671 1.00 0.00 C ATOM 95 CG ASN A 7 8.835 -9.187 2.001 1.00 0.00 C ATOM 96 OD1 ASN A 7 9.870 -9.823 2.039 1.00 0.00 O ATOM 97 ND2 ASN A 7 8.331 -8.698 3.101 1.00 0.00 N ATOM 0 H ASN A 7 7.807 -6.541 0.836 1.00 0.00 H new ATOM 0 HA ASN A 7 10.015 -8.249 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.130 -8.512 0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.945 -9.903 0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.806 -8.850 3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.462 -8.164 3.071 1.00 0.00 H new ATOM 104 N ILE A 8 7.382 -7.873 -2.079 1.00 0.00 N ATOM 105 CA ILE A 8 6.980 -8.011 -3.524 1.00 0.00 C ATOM 106 C ILE A 8 6.225 -6.761 -4.002 1.00 0.00 C ATOM 107 O ILE A 8 5.418 -6.833 -4.911 1.00 0.00 O ATOM 108 CB ILE A 8 6.074 -9.268 -3.612 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.621 -8.958 -3.192 1.00 0.00 C ATOM 110 CG2 ILE A 8 6.635 -10.394 -2.735 1.00 0.00 C ATOM 111 CD1 ILE A 8 4.562 -8.364 -1.784 1.00 0.00 C ATOM 0 H ILE A 8 6.653 -7.520 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 8 7.856 -8.114 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 8 6.064 -9.588 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.176 -8.260 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.027 -9.871 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.988 -11.268 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.637 -10.655 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.679 -10.060 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.525 -8.157 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.984 -9.073 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.135 -7.437 -1.756 1.00 0.00 H new ATOM 123 N GLU A 9 6.473 -5.620 -3.395 1.00 0.00 N ATOM 124 CA GLU A 9 5.752 -4.366 -3.798 1.00 0.00 C ATOM 125 C GLU A 9 4.244 -4.643 -3.830 1.00 0.00 C ATOM 126 O GLU A 9 3.635 -4.679 -4.880 1.00 0.00 O ATOM 127 CB GLU A 9 6.294 -4.003 -5.184 1.00 0.00 C ATOM 128 CG GLU A 9 7.736 -3.500 -5.049 1.00 0.00 C ATOM 129 CD GLU A 9 8.511 -3.798 -6.335 1.00 0.00 C ATOM 130 OE1 GLU A 9 8.467 -2.976 -7.235 1.00 0.00 O ATOM 131 OE2 GLU A 9 9.140 -4.842 -6.395 1.00 0.00 O ATOM 0 H GLU A 9 7.145 -5.504 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 9 5.910 -3.542 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.260 -4.873 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.670 -3.235 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.740 -2.428 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.221 -3.983 -4.201 1.00 0.00 H new ATOM 138 N PRO A 10 3.706 -4.873 -2.658 1.00 0.00 N ATOM 139 CA PRO A 10 2.269 -5.189 -2.520 1.00 0.00 C ATOM 140 C PRO A 10 1.394 -3.937 -2.307 1.00 0.00 C ATOM 141 O PRO A 10 0.338 -4.018 -1.706 1.00 0.00 O ATOM 142 CB PRO A 10 2.242 -6.054 -1.279 1.00 0.00 C ATOM 143 CG PRO A 10 3.448 -5.652 -0.473 1.00 0.00 C ATOM 144 CD PRO A 10 4.388 -4.882 -1.362 1.00 0.00 C ATOM 0 HA PRO A 10 1.867 -5.660 -3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.324 -5.898 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.280 -7.112 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.147 -5.041 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.946 -6.535 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.555 -3.871 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.364 -5.363 -1.426 1.00 0.00 H new ATOM 152 N TRP A 11 1.799 -2.795 -2.799 1.00 0.00 N ATOM 153 CA TRP A 11 0.956 -1.565 -2.622 1.00 0.00 C ATOM 154 C TRP A 11 0.348 -1.165 -3.973 1.00 0.00 C ATOM 155 O TRP A 11 -0.066 -0.037 -4.161 1.00 0.00 O ATOM 156 CB TRP A 11 1.915 -0.451 -2.151 1.00 0.00 C ATOM 157 CG TRP A 11 2.730 -0.868 -0.962 1.00 0.00 C ATOM 158 CD1 TRP A 11 3.698 -1.810 -0.979 1.00 0.00 C ATOM 159 CD2 TRP A 11 2.689 -0.352 0.403 1.00 0.00 C ATOM 160 NE1 TRP A 11 4.238 -1.924 0.288 1.00 0.00 N ATOM 161 CE2 TRP A 11 3.650 -1.045 1.175 1.00 0.00 C ATOM 162 CE3 TRP A 11 1.916 0.633 1.044 1.00 0.00 C ATOM 163 CZ2 TRP A 11 3.833 -0.768 2.530 1.00 0.00 C ATOM 164 CZ3 TRP A 11 2.102 0.909 2.405 1.00 0.00 C ATOM 165 CH2 TRP A 11 3.056 0.211 3.144 1.00 0.00 C ATOM 0 H TRP A 11 2.669 -2.657 -3.312 1.00 0.00 H new ATOM 0 HA TRP A 11 0.148 -1.733 -1.910 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.582 -0.179 -2.969 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.339 0.440 -1.900 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.001 -2.382 -1.844 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.980 -2.578 0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.173 1.181 0.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.573 -1.310 3.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.502 1.668 2.885 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.192 0.430 4.193 1.00 0.00 H new ATOM 176 N ASN A 12 0.314 -2.072 -4.920 1.00 0.00 N ATOM 177 CA ASN A 12 -0.223 -1.743 -6.275 1.00 0.00 C ATOM 178 C ASN A 12 -1.426 -2.633 -6.600 1.00 0.00 C ATOM 179 O ASN A 12 -1.345 -3.847 -6.547 1.00 0.00 O ATOM 180 CB ASN A 12 0.944 -2.017 -7.247 1.00 0.00 C ATOM 181 CG ASN A 12 2.293 -1.641 -6.600 1.00 0.00 C ATOM 182 OD1 ASN A 12 2.875 -0.626 -6.925 1.00 0.00 O ATOM 183 ND2 ASN A 12 2.819 -2.438 -5.704 1.00 0.00 N ATOM 0 H ASN A 12 0.638 -3.033 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.570 -0.712 -6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.951 -3.070 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.802 -1.444 -8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.717 -2.206 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.331 -3.291 -5.431 1.00 0.00 H new ATOM 190 N HIS A 13 -2.542 -2.031 -6.920 1.00 0.00 N ATOM 191 CA HIS A 13 -3.770 -2.821 -7.237 1.00 0.00 C ATOM 192 C HIS A 13 -4.508 -2.206 -8.438 1.00 0.00 C ATOM 193 O HIS A 13 -4.205 -1.101 -8.850 1.00 0.00 O ATOM 194 CB HIS A 13 -4.634 -2.719 -5.974 1.00 0.00 C ATOM 195 CG HIS A 13 -3.926 -3.361 -4.809 1.00 0.00 C ATOM 196 ND1 HIS A 13 -3.791 -4.736 -4.691 1.00 0.00 N ATOM 197 CD2 HIS A 13 -3.306 -2.828 -3.706 1.00 0.00 C ATOM 198 CE1 HIS A 13 -3.113 -4.980 -3.555 1.00 0.00 C ATOM 199 NE2 HIS A 13 -2.793 -3.852 -2.916 1.00 0.00 N ATOM 0 H HIS A 13 -2.656 -1.019 -6.976 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.540 -3.853 -7.501 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.843 -1.673 -5.751 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.594 -3.208 -6.140 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.228 -1.774 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.858 -5.969 -3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.282 -3.761 -2.038 1.00 0.00 H new ATOM 207 N PRO A 14 -5.471 -2.940 -8.949 1.00 0.00 N ATOM 208 CA PRO A 14 -6.275 -2.454 -10.094 1.00 0.00 C ATOM 209 C PRO A 14 -7.337 -1.463 -9.611 1.00 0.00 C ATOM 210 O PRO A 14 -7.879 -0.700 -10.385 1.00 0.00 O ATOM 211 CB PRO A 14 -6.950 -3.714 -10.625 1.00 0.00 C ATOM 212 CG PRO A 14 -7.011 -4.645 -9.456 1.00 0.00 C ATOM 213 CD PRO A 14 -5.899 -4.273 -8.506 1.00 0.00 C ATOM 0 HA PRO A 14 -5.674 -1.940 -10.844 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.947 -3.496 -11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.381 -4.150 -11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.978 -4.570 -8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.901 -5.678 -9.785 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.248 -4.256 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.079 -4.990 -8.554 1.00 0.00 H new ATOM 221 N GLY A 15 -7.656 -1.502 -8.338 1.00 0.00 N ATOM 222 CA GLY A 15 -8.705 -0.600 -7.785 1.00 0.00 C ATOM 223 C GLY A 15 -10.070 -1.109 -8.261 1.00 0.00 C ATOM 224 O GLY A 15 -11.008 -0.351 -8.405 1.00 0.00 O ATOM 0 H GLY A 15 -7.227 -2.128 -7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.662 -0.589 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.542 0.424 -8.121 1.00 0.00 H new ATOM 228 N SER A 16 -10.169 -2.392 -8.524 1.00 0.00 N ATOM 229 CA SER A 16 -11.453 -2.974 -9.015 1.00 0.00 C ATOM 230 C SER A 16 -11.579 -4.466 -8.646 1.00 0.00 C ATOM 231 O SER A 16 -12.489 -5.138 -9.098 1.00 0.00 O ATOM 232 CB SER A 16 -11.371 -2.814 -10.531 1.00 0.00 C ATOM 233 OG SER A 16 -12.660 -2.986 -11.103 1.00 0.00 O ATOM 0 H SER A 16 -9.408 -3.063 -8.418 1.00 0.00 H new ATOM 0 HA SER A 16 -12.319 -2.482 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.981 -1.828 -10.781 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.678 -3.546 -10.946 1.00 0.00 H new ATOM 0 HG SER A 16 -13.088 -3.777 -10.714 1.00 0.00 H new ATOM 239 N GLN A 17 -10.685 -4.994 -7.834 1.00 0.00 N ATOM 240 CA GLN A 17 -10.774 -6.439 -7.454 1.00 0.00 C ATOM 241 C GLN A 17 -10.353 -6.668 -5.986 1.00 0.00 C ATOM 242 O GLN A 17 -11.152 -7.146 -5.204 1.00 0.00 O ATOM 243 CB GLN A 17 -9.840 -7.175 -8.413 1.00 0.00 C ATOM 244 CG GLN A 17 -10.531 -7.385 -9.763 1.00 0.00 C ATOM 245 CD GLN A 17 -9.702 -6.729 -10.872 1.00 0.00 C ATOM 246 OE1 GLN A 17 -8.553 -7.070 -11.069 1.00 0.00 O ATOM 247 NE2 GLN A 17 -10.240 -5.798 -11.611 1.00 0.00 N ATOM 0 H GLN A 17 -9.903 -4.486 -7.422 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.799 -6.803 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.923 -6.603 -8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.555 -8.137 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.646 -8.450 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.533 -6.955 -9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.205 -5.511 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.696 -5.358 -12.353 1.00 0.00 H new ATOM 256 N PRO A 18 -9.113 -6.330 -5.648 1.00 0.00 N ATOM 257 CA PRO A 18 -8.613 -6.526 -4.249 1.00 0.00 C ATOM 258 C PRO A 18 -9.430 -5.700 -3.246 1.00 0.00 C ATOM 259 O PRO A 18 -9.510 -6.034 -2.079 1.00 0.00 O ATOM 260 CB PRO A 18 -7.162 -6.055 -4.314 1.00 0.00 C ATOM 261 CG PRO A 18 -7.142 -5.128 -5.482 1.00 0.00 C ATOM 262 CD PRO A 18 -8.068 -5.738 -6.499 1.00 0.00 C ATOM 0 HA PRO A 18 -8.702 -7.558 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.864 -5.549 -3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.476 -6.890 -4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.476 -4.130 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.134 -5.024 -5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.473 -4.991 -7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.566 -6.488 -7.109 1.00 0.00 H new ATOM 270 N LYS A 19 -10.060 -4.652 -3.697 1.00 0.00 N ATOM 271 CA LYS A 19 -10.908 -3.824 -2.791 1.00 0.00 C ATOM 272 C LYS A 19 -12.235 -3.545 -3.500 1.00 0.00 C ATOM 273 O LYS A 19 -12.766 -2.450 -3.447 1.00 0.00 O ATOM 274 CB LYS A 19 -10.112 -2.530 -2.560 1.00 0.00 C ATOM 275 CG LYS A 19 -9.844 -1.825 -3.897 1.00 0.00 C ATOM 276 CD LYS A 19 -9.089 -0.516 -3.646 1.00 0.00 C ATOM 277 CE LYS A 19 -10.014 0.671 -3.931 1.00 0.00 C ATOM 278 NZ LYS A 19 -9.166 1.873 -3.673 1.00 0.00 N ATOM 0 H LYS A 19 -10.024 -4.329 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.134 -4.308 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.667 -1.867 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.168 -2.759 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.261 -2.473 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.785 -1.621 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.739 -0.478 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.207 -0.465 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.377 0.654 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.890 0.656 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.713 2.734 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.868 1.880 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.326 1.843 -4.285 1.00 0.00 H new ATOM 292 N THR A 20 -12.751 -4.530 -4.206 1.00 0.00 N ATOM 293 CA THR A 20 -14.014 -4.323 -4.976 1.00 0.00 C ATOM 294 C THR A 20 -14.741 -5.645 -5.261 1.00 0.00 C ATOM 295 O THR A 20 -15.938 -5.757 -5.072 1.00 0.00 O ATOM 296 CB THR A 20 -13.516 -3.742 -6.294 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.122 -2.388 -6.110 1.00 0.00 O ATOM 298 CG2 THR A 20 -14.618 -3.815 -7.356 1.00 0.00 C ATOM 0 H THR A 20 -12.349 -5.465 -4.279 1.00 0.00 H new ATOM 0 HA THR A 20 -14.722 -3.696 -4.434 1.00 0.00 H new ATOM 0 HB THR A 20 -12.659 -4.325 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.239 -2.138 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.249 -3.397 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.905 -4.855 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.485 -3.245 -7.021 1.00 0.00 H new ATOM 306 N ALA A 21 -14.029 -6.627 -5.763 1.00 0.00 N ATOM 307 CA ALA A 21 -14.670 -7.934 -6.125 1.00 0.00 C ATOM 308 C ALA A 21 -15.060 -8.771 -4.892 1.00 0.00 C ATOM 309 O ALA A 21 -15.167 -9.981 -4.987 1.00 0.00 O ATOM 310 CB ALA A 21 -13.603 -8.669 -6.942 1.00 0.00 C ATOM 0 H ALA A 21 -13.025 -6.579 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.601 -7.772 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.987 -9.641 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.351 -8.081 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.710 -8.809 -6.332 1.00 0.00 H new ATOM 316 N CYS A 22 -15.266 -8.159 -3.737 1.00 0.00 N ATOM 317 CA CYS A 22 -15.628 -8.949 -2.512 1.00 0.00 C ATOM 318 C CYS A 22 -14.630 -10.105 -2.340 1.00 0.00 C ATOM 319 O CYS A 22 -14.937 -11.138 -1.774 1.00 0.00 O ATOM 320 CB CYS A 22 -17.044 -9.475 -2.774 1.00 0.00 C ATOM 321 SG CYS A 22 -18.204 -8.680 -1.634 1.00 0.00 S ATOM 0 H CYS A 22 -15.198 -7.151 -3.596 1.00 0.00 H new ATOM 0 HA CYS A 22 -15.593 -8.355 -1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -17.334 -9.272 -3.805 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -17.072 -10.557 -2.642 1.00 0.00 H new ATOM 0 HG CYS A 22 -19.405 -9.124 -1.857 1.00 0.00 H new ATOM 327 N ASN A 23 -13.441 -9.925 -2.861 1.00 0.00 N ATOM 328 CA ASN A 23 -12.388 -10.980 -2.791 1.00 0.00 C ATOM 329 C ASN A 23 -11.799 -11.110 -1.373 1.00 0.00 C ATOM 330 O ASN A 23 -11.334 -12.169 -0.998 1.00 0.00 O ATOM 331 CB ASN A 23 -11.338 -10.540 -3.836 1.00 0.00 C ATOM 332 CG ASN A 23 -10.376 -9.483 -3.279 1.00 0.00 C ATOM 333 OD1 ASN A 23 -9.177 -9.677 -3.301 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.843 -8.359 -2.802 1.00 0.00 N ATOM 0 H ASN A 23 -13.153 -9.073 -3.341 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.778 -11.975 -3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.769 -11.409 -4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.846 -10.140 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.201 -7.649 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.849 -8.192 -2.782 1.00 0.00 H new ATOM 341 N ARG A 24 -11.835 -10.060 -0.577 1.00 0.00 N ATOM 342 CA ARG A 24 -11.295 -10.142 0.824 1.00 0.00 C ATOM 343 C ARG A 24 -11.396 -8.774 1.527 1.00 0.00 C ATOM 344 O ARG A 24 -12.410 -8.462 2.124 1.00 0.00 O ATOM 345 CB ARG A 24 -9.823 -10.606 0.726 1.00 0.00 C ATOM 346 CG ARG A 24 -9.189 -10.160 -0.594 1.00 0.00 C ATOM 347 CD ARG A 24 -7.826 -9.527 -0.336 1.00 0.00 C ATOM 348 NE ARG A 24 -6.859 -10.645 -0.529 1.00 0.00 N ATOM 349 CZ ARG A 24 -6.361 -10.881 -1.714 1.00 0.00 C ATOM 350 NH1 ARG A 24 -5.577 -10.001 -2.281 1.00 0.00 N ATOM 351 NH2 ARG A 24 -6.649 -11.997 -2.331 1.00 0.00 N ATOM 0 H ARG A 24 -12.215 -9.150 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.875 -10.849 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.254 -10.199 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.775 -11.692 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.081 -11.015 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.841 -9.445 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.630 -8.708 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.763 -9.115 0.671 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.586 -11.226 0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.354 -9.130 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.188 -10.185 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.261 -12.682 -1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.261 -12.183 -3.256 1.00 0.00 H new ATOM 365 N CYS A 25 -10.356 -7.964 1.471 1.00 0.00 N ATOM 366 CA CYS A 25 -10.382 -6.623 2.141 1.00 0.00 C ATOM 367 C CYS A 25 -10.527 -6.776 3.665 1.00 0.00 C ATOM 368 O CYS A 25 -11.382 -6.167 4.280 1.00 0.00 O ATOM 369 CB CYS A 25 -11.590 -5.895 1.547 1.00 0.00 C ATOM 370 SG CYS A 25 -11.216 -4.131 1.388 1.00 0.00 S ATOM 0 H CYS A 25 -9.486 -8.180 0.985 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.457 -6.070 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -11.837 -6.314 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -12.463 -6.036 2.185 1.00 0.00 H new ATOM 0 HG CYS A 25 -12.242 -3.514 0.881 1.00 0.00 H new ATOM 376 N HIS A 26 -9.686 -7.579 4.276 1.00 0.00 N ATOM 377 CA HIS A 26 -9.755 -7.769 5.765 1.00 0.00 C ATOM 378 C HIS A 26 -8.497 -8.479 6.297 1.00 0.00 C ATOM 379 O HIS A 26 -7.995 -8.140 7.351 1.00 0.00 O ATOM 380 CB HIS A 26 -11.035 -8.588 6.068 1.00 0.00 C ATOM 381 CG HIS A 26 -11.280 -9.715 5.084 1.00 0.00 C ATOM 382 ND1 HIS A 26 -10.590 -10.167 3.986 1.00 0.00 N flip ATOM 383 CD2 HIS A 26 -12.386 -10.546 5.193 1.00 0.00 C flip ATOM 384 CE1 HIS A 26 -11.248 -11.256 3.432 1.00 0.00 C flip ATOM 385 NE2 HIS A 26 -12.324 -11.440 4.191 1.00 0.00 N flip ATOM 0 H HIS A 26 -8.953 -8.112 3.808 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.796 -6.803 6.268 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.961 -9.004 7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -11.895 -7.918 6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -13.157 -10.485 5.947 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.950 -11.832 2.568 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.018 -12.171 4.032 1.00 0.00 H new ATOM 393 N CYS A 27 -7.976 -9.446 5.579 1.00 0.00 N ATOM 394 CA CYS A 27 -6.745 -10.156 6.042 1.00 0.00 C ATOM 395 C CYS A 27 -5.500 -9.519 5.399 1.00 0.00 C ATOM 396 O CYS A 27 -4.381 -9.777 5.804 1.00 0.00 O ATOM 397 CB CYS A 27 -6.932 -11.609 5.580 1.00 0.00 C ATOM 398 SG CYS A 27 -6.090 -11.893 4.000 1.00 0.00 S ATOM 0 H CYS A 27 -8.353 -9.774 4.690 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.602 -10.096 7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.538 -12.289 6.335 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.995 -11.829 5.476 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.261 -13.128 3.633 1.00 0.00 H new ATOM 404 N LYS A 28 -5.695 -8.687 4.401 1.00 0.00 N ATOM 405 CA LYS A 28 -4.545 -8.022 3.721 1.00 0.00 C ATOM 406 C LYS A 28 -4.029 -6.863 4.583 1.00 0.00 C ATOM 407 O LYS A 28 -2.877 -6.834 4.966 1.00 0.00 O ATOM 408 CB LYS A 28 -5.132 -7.519 2.398 1.00 0.00 C ATOM 409 CG LYS A 28 -4.245 -6.429 1.782 1.00 0.00 C ATOM 410 CD LYS A 28 -5.071 -5.552 0.829 1.00 0.00 C ATOM 411 CE LYS A 28 -6.122 -6.400 0.099 1.00 0.00 C ATOM 412 NZ LYS A 28 -6.876 -5.417 -0.733 1.00 0.00 N ATOM 0 H LYS A 28 -6.612 -8.441 4.028 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.695 -8.686 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.230 -8.351 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.134 -7.125 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.811 -5.814 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.416 -6.886 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.562 -4.756 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.414 -5.072 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.655 -7.168 -0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.779 -6.912 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.650 -5.903 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.270 -4.674 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.234 -4.987 -1.430 1.00 0.00 H new ATOM 426 N LYS A 29 -4.880 -5.917 4.894 1.00 0.00 N ATOM 427 CA LYS A 29 -4.458 -4.760 5.743 1.00 0.00 C ATOM 428 C LYS A 29 -4.790 -5.034 7.220 1.00 0.00 C ATOM 429 O LYS A 29 -4.225 -4.420 8.103 1.00 0.00 O ATOM 430 CB LYS A 29 -5.238 -3.549 5.195 1.00 0.00 C ATOM 431 CG LYS A 29 -6.535 -3.316 5.984 1.00 0.00 C ATOM 432 CD LYS A 29 -7.565 -4.389 5.619 1.00 0.00 C ATOM 433 CE LYS A 29 -8.938 -3.742 5.423 1.00 0.00 C ATOM 434 NZ LYS A 29 -8.901 -3.197 4.033 1.00 0.00 N ATOM 0 H LYS A 29 -5.855 -5.896 4.594 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.383 -4.583 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.613 -2.657 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.474 -3.712 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.330 -3.345 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.934 -2.326 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.261 -4.903 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.616 -5.141 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.740 -4.470 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.113 -2.953 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.063 -2.170 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.971 -3.391 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.643 -3.650 3.463 1.00 0.00 H new ATOM 448 N CYS A 30 -5.697 -5.962 7.480 1.00 0.00 N ATOM 449 CA CYS A 30 -6.085 -6.316 8.888 1.00 0.00 C ATOM 450 C CYS A 30 -6.051 -5.080 9.814 1.00 0.00 C ATOM 451 O CYS A 30 -6.736 -4.107 9.570 1.00 0.00 O ATOM 452 CB CYS A 30 -5.064 -7.379 9.307 1.00 0.00 C ATOM 453 SG CYS A 30 -5.758 -8.392 10.636 1.00 0.00 S ATOM 0 H CYS A 30 -6.189 -6.494 6.762 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.108 -6.686 8.957 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.806 -8.007 8.454 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.143 -6.902 9.642 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.834 -7.686 11.725 1.00 0.00 H new ATOM 459 N CYS A 31 -5.263 -5.108 10.868 1.00 0.00 N ATOM 460 CA CYS A 31 -5.197 -3.933 11.790 1.00 0.00 C ATOM 461 C CYS A 31 -3.772 -3.766 12.337 1.00 0.00 C ATOM 462 O CYS A 31 -3.505 -3.991 13.505 1.00 0.00 O ATOM 463 CB CYS A 31 -6.193 -4.241 12.917 1.00 0.00 C ATOM 464 SG CYS A 31 -5.857 -5.880 13.613 1.00 0.00 S ATOM 0 H CYS A 31 -4.666 -5.894 11.125 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.447 -2.999 11.286 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.117 -3.483 13.697 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.212 -4.202 12.533 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.606 -5.957 13.957 1.00 0.00 H new ATOM 470 N TYR A 32 -2.860 -3.358 11.493 1.00 0.00 N ATOM 471 CA TYR A 32 -1.447 -3.151 11.927 1.00 0.00 C ATOM 472 C TYR A 32 -0.810 -2.098 11.015 1.00 0.00 C ATOM 473 O TYR A 32 0.220 -2.316 10.404 1.00 0.00 O ATOM 474 CB TYR A 32 -0.764 -4.530 11.799 1.00 0.00 C ATOM 475 CG TYR A 32 -0.784 -5.050 10.377 1.00 0.00 C ATOM 476 CD1 TYR A 32 -1.969 -5.527 9.799 1.00 0.00 C ATOM 477 CD2 TYR A 32 0.402 -5.071 9.643 1.00 0.00 C ATOM 478 CE1 TYR A 32 -1.958 -6.019 8.488 1.00 0.00 C ATOM 479 CE2 TYR A 32 0.413 -5.557 8.335 1.00 0.00 C ATOM 480 CZ TYR A 32 -0.766 -6.031 7.756 1.00 0.00 C ATOM 481 OH TYR A 32 -0.750 -6.519 6.466 1.00 0.00 O ATOM 0 H TYR A 32 -3.037 -3.157 10.509 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.354 -2.787 12.950 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.268 -4.455 12.142 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.266 -5.244 12.452 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.889 -5.515 10.364 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.316 -4.709 10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.869 -6.389 8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.334 -5.567 7.770 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.663 -6.741 6.189 1.00 0.00 H new ATOM 491 N HIS A 33 -1.463 -0.959 10.907 1.00 0.00 N ATOM 492 CA HIS A 33 -0.982 0.155 10.022 1.00 0.00 C ATOM 493 C HIS A 33 -1.099 -0.244 8.536 1.00 0.00 C ATOM 494 O HIS A 33 -0.735 0.517 7.660 1.00 0.00 O ATOM 495 CB HIS A 33 0.481 0.421 10.411 1.00 0.00 C ATOM 496 CG HIS A 33 0.537 1.141 11.731 1.00 0.00 C ATOM 497 ND1 HIS A 33 0.375 2.513 11.833 1.00 0.00 N ATOM 498 CD2 HIS A 33 0.740 0.691 13.012 1.00 0.00 C ATOM 499 CE1 HIS A 33 0.483 2.840 13.135 1.00 0.00 C ATOM 500 NE2 HIS A 33 0.706 1.765 13.896 1.00 0.00 N ATOM 0 H HIS A 33 -2.328 -0.752 11.407 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.585 1.053 10.153 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.026 -0.521 10.477 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.969 1.018 9.640 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.902 -0.340 13.291 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.400 3.847 13.517 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.826 1.737 14.909 1.00 0.00 H new ATOM 508 N CYS A 34 -1.617 -1.424 8.255 1.00 0.00 N ATOM 509 CA CYS A 34 -1.783 -1.896 6.843 1.00 0.00 C ATOM 510 C CYS A 34 -0.460 -1.841 6.059 1.00 0.00 C ATOM 511 O CYS A 34 -0.177 -0.887 5.358 1.00 0.00 O ATOM 512 CB CYS A 34 -2.831 -0.969 6.221 1.00 0.00 C ATOM 513 SG CYS A 34 -4.325 -0.953 7.245 1.00 0.00 S ATOM 0 H CYS A 34 -1.936 -2.088 8.961 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.095 -2.940 6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.429 0.040 6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.074 -1.305 5.213 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.532 -2.142 7.729 1.00 0.00 H new ATOM 519 N GLN A 35 0.336 -2.878 6.155 1.00 0.00 N ATOM 520 CA GLN A 35 1.632 -2.918 5.402 1.00 0.00 C ATOM 521 C GLN A 35 1.541 -3.962 4.282 1.00 0.00 C ATOM 522 O GLN A 35 2.002 -3.739 3.177 1.00 0.00 O ATOM 523 CB GLN A 35 2.701 -3.333 6.422 1.00 0.00 C ATOM 524 CG GLN A 35 2.721 -2.366 7.612 1.00 0.00 C ATOM 525 CD GLN A 35 2.839 -0.919 7.124 1.00 0.00 C ATOM 526 OE1 GLN A 35 1.962 -0.044 7.520 1.00 0.00 O flip ATOM 527 NE2 GLN A 35 3.736 -0.582 6.378 1.00 0.00 N flip ATOM 0 H GLN A 35 0.144 -3.702 6.724 1.00 0.00 H new ATOM 0 HA GLN A 35 1.868 -1.956 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.502 -4.345 6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.680 -3.349 5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.811 -2.485 8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.558 -2.604 8.268 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.425 -1.267 6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.801 0.386 6.063 1.00 0.00 H new ATOM 536 N VAL A 36 0.938 -5.100 4.569 1.00 0.00 N ATOM 537 CA VAL A 36 0.784 -6.186 3.546 1.00 0.00 C ATOM 538 C VAL A 36 2.156 -6.712 3.092 1.00 0.00 C ATOM 539 O VAL A 36 2.540 -6.556 1.951 1.00 0.00 O ATOM 540 CB VAL A 36 0.018 -5.546 2.373 1.00 0.00 C ATOM 541 CG1 VAL A 36 -0.500 -6.651 1.446 1.00 0.00 C ATOM 542 CG2 VAL A 36 -1.195 -4.680 2.733 1.00 0.00 C ATOM 0 H VAL A 36 0.542 -5.321 5.483 1.00 0.00 H new ATOM 0 HA VAL A 36 0.248 -7.045 3.950 1.00 0.00 H new ATOM 0 HB VAL A 36 0.752 -4.881 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.043 -6.203 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.341 -7.228 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.167 -7.309 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.646 -4.288 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.927 -5.284 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.876 -3.851 3.365 1.00 0.00 H new ATOM 552 N CYS A 37 2.889 -7.346 3.981 1.00 0.00 N ATOM 553 CA CYS A 37 4.239 -7.902 3.618 1.00 0.00 C ATOM 554 C CYS A 37 5.112 -6.829 2.944 1.00 0.00 C ATOM 555 O CYS A 37 5.553 -6.985 1.819 1.00 0.00 O ATOM 556 CB CYS A 37 3.951 -9.058 2.652 1.00 0.00 C ATOM 557 SG CYS A 37 5.232 -10.323 2.823 1.00 0.00 S ATOM 0 H CYS A 37 2.609 -7.504 4.949 1.00 0.00 H new ATOM 0 HA CYS A 37 4.790 -8.235 4.498 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.971 -9.487 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.923 -8.690 1.626 1.00 0.00 H new ATOM 0 HG CYS A 37 4.986 -11.303 2.005 1.00 0.00 H new ATOM 563 N PHE A 38 5.349 -5.736 3.623 1.00 0.00 N ATOM 564 CA PHE A 38 6.177 -4.637 3.025 1.00 0.00 C ATOM 565 C PHE A 38 7.688 -4.819 3.310 1.00 0.00 C ATOM 566 O PHE A 38 8.206 -5.915 3.237 1.00 0.00 O ATOM 567 CB PHE A 38 5.603 -3.330 3.607 1.00 0.00 C ATOM 568 CG PHE A 38 6.027 -3.048 5.039 1.00 0.00 C ATOM 569 CD1 PHE A 38 6.222 -4.083 5.967 1.00 0.00 C ATOM 570 CD2 PHE A 38 6.202 -1.718 5.440 1.00 0.00 C ATOM 571 CE1 PHE A 38 6.586 -3.782 7.278 1.00 0.00 C ATOM 572 CE2 PHE A 38 6.562 -1.422 6.754 1.00 0.00 C ATOM 573 CZ PHE A 38 6.753 -2.455 7.672 1.00 0.00 C ATOM 0 H PHE A 38 5.006 -5.554 4.566 1.00 0.00 H new ATOM 0 HA PHE A 38 6.118 -4.634 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.914 -2.497 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.515 -3.373 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.090 -5.112 5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.058 -0.918 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.739 -4.579 7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.693 -0.395 7.061 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.031 -2.226 8.690 1.00 0.00 H new ATOM 583 N ILE A 39 8.407 -3.745 3.572 1.00 0.00 N ATOM 584 CA ILE A 39 9.896 -3.844 3.790 1.00 0.00 C ATOM 585 C ILE A 39 10.281 -4.758 4.970 1.00 0.00 C ATOM 586 O ILE A 39 11.278 -5.451 4.906 1.00 0.00 O ATOM 587 CB ILE A 39 10.377 -2.402 4.049 1.00 0.00 C ATOM 588 CG1 ILE A 39 9.612 -1.776 5.225 1.00 0.00 C ATOM 589 CG2 ILE A 39 10.151 -1.554 2.794 1.00 0.00 C ATOM 590 CD1 ILE A 39 10.593 -1.047 6.144 1.00 0.00 C ATOM 0 H ILE A 39 8.026 -2.801 3.645 1.00 0.00 H new ATOM 0 HA ILE A 39 10.367 -4.295 2.917 1.00 0.00 H new ATOM 0 HB ILE A 39 11.438 -2.431 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.860 -1.080 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.083 -2.550 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.491 -0.535 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.712 -1.979 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.089 -1.543 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.049 -0.603 6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.328 -1.755 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.102 -0.262 5.584 1.00 0.00 H new ATOM 602 N THR A 40 9.527 -4.766 6.041 1.00 0.00 N ATOM 603 CA THR A 40 9.892 -5.635 7.203 1.00 0.00 C ATOM 604 C THR A 40 8.852 -6.744 7.390 1.00 0.00 C ATOM 605 O THR A 40 7.669 -6.543 7.186 1.00 0.00 O ATOM 606 CB THR A 40 9.913 -4.687 8.414 1.00 0.00 C ATOM 607 OG1 THR A 40 10.828 -3.626 8.166 1.00 0.00 O ATOM 608 CG2 THR A 40 10.344 -5.441 9.677 1.00 0.00 C ATOM 0 H THR A 40 8.679 -4.212 6.161 1.00 0.00 H new ATOM 0 HA THR A 40 10.851 -6.134 7.063 1.00 0.00 H new ATOM 0 HB THR A 40 8.910 -4.288 8.566 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.714 -2.930 8.846 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.354 -4.756 10.524 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.643 -6.252 9.874 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.343 -5.853 9.532 1.00 0.00 H new ATOM 616 N LYS A 41 9.288 -7.915 7.784 1.00 0.00 N ATOM 617 CA LYS A 41 8.329 -9.044 7.998 1.00 0.00 C ATOM 618 C LYS A 41 7.452 -8.775 9.234 1.00 0.00 C ATOM 619 O LYS A 41 6.395 -9.360 9.389 1.00 0.00 O ATOM 620 CB LYS A 41 9.204 -10.291 8.202 1.00 0.00 C ATOM 621 CG LYS A 41 9.957 -10.206 9.538 1.00 0.00 C ATOM 622 CD LYS A 41 9.620 -11.426 10.405 1.00 0.00 C ATOM 623 CE LYS A 41 8.111 -11.469 10.684 1.00 0.00 C ATOM 624 NZ LYS A 41 7.928 -10.639 11.912 1.00 0.00 N ATOM 0 H LYS A 41 10.266 -8.138 7.967 1.00 0.00 H new ATOM 0 HA LYS A 41 7.649 -9.169 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.582 -11.186 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.916 -10.381 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.031 -10.162 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.684 -9.290 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.931 -12.340 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.171 -11.379 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.542 -11.067 9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.767 -12.491 10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.916 -10.448 12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.303 -11.151 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.438 -9.739 11.802 1.00 0.00 H new ATOM 638 N GLY A 42 7.876 -7.884 10.107 1.00 0.00 N ATOM 639 CA GLY A 42 7.073 -7.566 11.327 1.00 0.00 C ATOM 640 C GLY A 42 5.779 -6.829 10.960 1.00 0.00 C ATOM 641 O GLY A 42 5.009 -6.478 11.824 1.00 0.00 O ATOM 0 H GLY A 42 8.749 -7.364 10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.832 -8.487 11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.665 -6.952 12.006 1.00 0.00 H new ATOM 645 N LEU A 43 5.520 -6.607 9.691 1.00 0.00 N ATOM 646 CA LEU A 43 4.261 -5.915 9.273 1.00 0.00 C ATOM 647 C LEU A 43 4.201 -4.471 9.798 1.00 0.00 C ATOM 648 O LEU A 43 3.136 -3.930 10.013 1.00 0.00 O ATOM 649 CB LEU A 43 3.136 -6.764 9.877 1.00 0.00 C ATOM 650 CG LEU A 43 2.588 -7.722 8.822 1.00 0.00 C ATOM 651 CD1 LEU A 43 3.654 -8.401 7.966 1.00 0.00 C ATOM 652 CD2 LEU A 43 1.784 -8.806 9.544 1.00 0.00 C ATOM 0 H LEU A 43 6.133 -6.879 8.923 1.00 0.00 H new ATOM 0 HA LEU A 43 4.188 -5.833 8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.511 -7.326 10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.338 -6.119 10.245 1.00 0.00 H new ATOM 0 HG LEU A 43 1.984 -7.125 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.174 -9.063 7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.231 -7.644 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.318 -8.982 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.379 -9.506 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.434 -9.340 10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.965 -8.345 10.096 1.00 0.00 H new ATOM 664 N GLY A 44 5.327 -3.837 10.004 1.00 0.00 N ATOM 665 CA GLY A 44 5.310 -2.430 10.511 1.00 0.00 C ATOM 666 C GLY A 44 4.646 -2.377 11.892 1.00 0.00 C ATOM 667 O GLY A 44 4.198 -1.334 12.329 1.00 0.00 O ATOM 0 H GLY A 44 6.255 -4.230 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.328 -2.045 10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.769 -1.790 9.814 1.00 0.00 H new ATOM 671 N ILE A 45 4.568 -3.495 12.576 1.00 0.00 N ATOM 672 CA ILE A 45 3.921 -3.503 13.927 1.00 0.00 C ATOM 673 C ILE A 45 4.639 -2.530 14.881 1.00 0.00 C ATOM 674 O ILE A 45 4.006 -1.685 15.485 1.00 0.00 O ATOM 675 CB ILE A 45 4.006 -4.953 14.442 1.00 0.00 C ATOM 676 CG1 ILE A 45 5.432 -5.505 14.295 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.032 -5.831 13.650 1.00 0.00 C ATOM 678 CD1 ILE A 45 6.109 -5.578 15.666 1.00 0.00 C ATOM 0 H ILE A 45 4.922 -4.397 12.259 1.00 0.00 H new ATOM 0 HA ILE A 45 2.884 -3.172 13.871 1.00 0.00 H new ATOM 0 HB ILE A 45 3.741 -4.962 15.499 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.402 -6.496 13.842 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.011 -4.866 13.628 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.090 -6.857 14.012 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.016 -5.457 13.781 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.295 -5.804 12.593 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.120 -5.970 15.552 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.154 -4.580 16.103 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.536 -6.235 16.320 1.00 0.00 H new ATOM 690 N SER A 46 5.946 -2.631 15.015 1.00 0.00 N ATOM 691 CA SER A 46 6.687 -1.697 15.929 1.00 0.00 C ATOM 692 C SER A 46 8.208 -1.962 15.914 1.00 0.00 C ATOM 693 O SER A 46 8.883 -1.727 16.900 1.00 0.00 O ATOM 694 CB SER A 46 6.123 -1.967 17.332 1.00 0.00 C ATOM 695 OG SER A 46 6.396 -3.310 17.712 1.00 0.00 O ATOM 0 H SER A 46 6.528 -3.316 14.533 1.00 0.00 H new ATOM 0 HA SER A 46 6.554 -0.662 15.614 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.567 -1.279 18.051 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.048 -1.788 17.342 1.00 0.00 H new ATOM 0 HG SER A 46 5.555 -3.810 17.773 1.00 0.00 H new ATOM 701 N TYR A 47 8.764 -2.435 14.818 1.00 0.00 N ATOM 702 CA TYR A 47 10.242 -2.687 14.787 1.00 0.00 C ATOM 703 C TYR A 47 11.025 -1.376 14.597 1.00 0.00 C ATOM 704 O TYR A 47 12.232 -1.343 14.752 1.00 0.00 O ATOM 705 CB TYR A 47 10.477 -3.624 13.594 1.00 0.00 C ATOM 706 CG TYR A 47 10.073 -2.956 12.296 1.00 0.00 C ATOM 707 CD1 TYR A 47 10.882 -1.963 11.723 1.00 0.00 C ATOM 708 CD2 TYR A 47 8.891 -3.340 11.662 1.00 0.00 C ATOM 709 CE1 TYR A 47 10.505 -1.362 10.521 1.00 0.00 C ATOM 710 CE2 TYR A 47 8.517 -2.743 10.463 1.00 0.00 C ATOM 711 CZ TYR A 47 9.324 -1.750 9.887 1.00 0.00 C ATOM 712 OH TYR A 47 8.957 -1.159 8.695 1.00 0.00 O ATOM 0 H TYR A 47 8.265 -2.654 13.956 1.00 0.00 H new ATOM 0 HA TYR A 47 10.587 -3.123 15.724 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.529 -3.907 13.550 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.905 -4.542 13.729 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.797 -1.664 12.212 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.266 -4.102 12.103 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.127 -0.597 10.082 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.603 -3.045 9.974 1.00 0.00 H new ATOM 0 HH TYR A 47 8.530 -1.825 8.117 1.00 0.00 H new ATOM 722 N GLY A 48 10.354 -0.307 14.241 1.00 0.00 N ATOM 723 CA GLY A 48 11.056 0.988 14.013 1.00 0.00 C ATOM 724 C GLY A 48 10.960 1.312 12.522 1.00 0.00 C ATOM 725 O GLY A 48 11.947 1.303 11.810 1.00 0.00 O ATOM 0 H GLY A 48 9.344 -0.279 14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.600 1.780 14.607 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.099 0.918 14.323 1.00 0.00 H new ATOM 729 N ARG A 49 9.768 1.580 12.049 1.00 0.00 N ATOM 730 CA ARG A 49 9.569 1.889 10.602 1.00 0.00 C ATOM 731 C ARG A 49 10.305 3.177 10.216 1.00 0.00 C ATOM 732 O ARG A 49 10.640 3.991 11.057 1.00 0.00 O ATOM 733 CB ARG A 49 8.060 2.074 10.438 1.00 0.00 C ATOM 734 CG ARG A 49 7.319 0.793 10.831 1.00 0.00 C ATOM 735 CD ARG A 49 5.812 1.061 10.821 1.00 0.00 C ATOM 736 NE ARG A 49 5.436 0.964 9.380 1.00 0.00 N ATOM 737 CZ ARG A 49 4.522 1.759 8.884 1.00 0.00 C ATOM 738 NH1 ARG A 49 3.349 1.849 9.460 1.00 0.00 N ATOM 739 NH2 ARG A 49 4.781 2.461 7.812 1.00 0.00 N ATOM 0 H ARG A 49 8.917 1.598 12.611 1.00 0.00 H new ATOM 0 HA ARG A 49 9.961 1.098 9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.719 2.903 11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.829 2.333 9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.562 -0.010 10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.636 0.464 11.821 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.273 0.330 11.424 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.579 2.045 11.229 1.00 0.00 H new ATOM 0 HE ARG A 49 5.892 0.277 8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.148 1.299 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.637 2.469 9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.694 2.389 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.070 3.081 7.424 1.00 0.00 H new ATOM 753 N LYS A 50 10.550 3.362 8.947 1.00 0.00 N ATOM 754 CA LYS A 50 11.259 4.590 8.481 1.00 0.00 C ATOM 755 C LYS A 50 10.373 5.417 7.531 1.00 0.00 C ATOM 756 O LYS A 50 10.700 6.543 7.212 1.00 0.00 O ATOM 757 CB LYS A 50 12.519 4.084 7.763 1.00 0.00 C ATOM 758 CG LYS A 50 12.145 3.118 6.630 1.00 0.00 C ATOM 759 CD LYS A 50 12.314 1.665 7.098 1.00 0.00 C ATOM 760 CE LYS A 50 13.779 1.399 7.458 1.00 0.00 C ATOM 761 NZ LYS A 50 13.926 -0.083 7.352 1.00 0.00 N ATOM 0 H LYS A 50 10.288 2.711 8.207 1.00 0.00 H new ATOM 0 HA LYS A 50 11.506 5.251 9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.077 4.928 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.173 3.581 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.114 3.291 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.775 3.304 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.678 1.476 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.994 0.981 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.455 1.915 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.011 1.750 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.904 -0.352 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.273 -0.545 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.704 -0.385 6.382 1.00 0.00 H new ATOM 775 N LYS A 51 9.249 4.869 7.094 1.00 0.00 N ATOM 776 CA LYS A 51 8.305 5.607 6.171 1.00 0.00 C ATOM 777 C LYS A 51 8.890 5.803 4.761 1.00 0.00 C ATOM 778 O LYS A 51 8.216 5.567 3.775 1.00 0.00 O ATOM 779 CB LYS A 51 8.033 6.964 6.832 1.00 0.00 C ATOM 780 CG LYS A 51 7.451 6.744 8.232 1.00 0.00 C ATOM 781 CD LYS A 51 5.937 6.971 8.206 1.00 0.00 C ATOM 782 CE LYS A 51 5.221 5.618 8.142 1.00 0.00 C ATOM 783 NZ LYS A 51 3.905 5.862 8.802 1.00 0.00 N ATOM 0 H LYS A 51 8.943 3.928 7.342 1.00 0.00 H new ATOM 0 HA LYS A 51 7.392 5.028 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.956 7.540 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.338 7.543 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.670 5.732 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.918 7.427 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.625 7.518 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.664 7.580 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.093 5.285 7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.788 4.844 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.348 4.984 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.061 6.173 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.388 6.600 8.283 1.00 0.00 H new ATOM 797 N ARG A 52 10.124 6.235 4.647 1.00 0.00 N ATOM 798 CA ARG A 52 10.728 6.448 3.295 1.00 0.00 C ATOM 799 C ARG A 52 11.190 5.114 2.689 1.00 0.00 C ATOM 800 O ARG A 52 11.684 5.077 1.577 1.00 0.00 O ATOM 801 CB ARG A 52 11.930 7.380 3.509 1.00 0.00 C ATOM 802 CG ARG A 52 11.589 8.539 4.467 1.00 0.00 C ATOM 803 CD ARG A 52 10.177 9.099 4.210 1.00 0.00 C ATOM 804 NE ARG A 52 10.098 9.338 2.738 1.00 0.00 N ATOM 805 CZ ARG A 52 10.920 10.174 2.155 1.00 0.00 C ATOM 806 NH1 ARG A 52 10.961 11.425 2.537 1.00 0.00 N ATOM 807 NH2 ARG A 52 11.696 9.759 1.189 1.00 0.00 N ATOM 0 H ARG A 52 10.738 6.449 5.433 1.00 0.00 H new ATOM 0 HA ARG A 52 10.004 6.879 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.766 6.809 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.253 7.784 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.660 8.191 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.323 9.336 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.411 8.394 4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.015 10.023 4.766 1.00 0.00 H new ATOM 0 HE ARG A 52 9.398 8.846 2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.353 11.749 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.601 12.076 2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.661 8.785 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.337 10.410 0.734 1.00 0.00 H new ATOM 821 N ARG A 53 11.026 4.021 3.405 1.00 0.00 N ATOM 822 CA ARG A 53 11.443 2.689 2.865 1.00 0.00 C ATOM 823 C ARG A 53 10.772 2.427 1.508 1.00 0.00 C ATOM 824 O ARG A 53 11.282 1.675 0.700 1.00 0.00 O ATOM 825 CB ARG A 53 10.970 1.662 3.907 1.00 0.00 C ATOM 826 CG ARG A 53 9.435 1.600 3.952 1.00 0.00 C ATOM 827 CD ARG A 53 8.911 2.399 5.146 1.00 0.00 C ATOM 828 NE ARG A 53 7.565 1.813 5.417 1.00 0.00 N ATOM 829 CZ ARG A 53 6.571 2.048 4.600 1.00 0.00 C ATOM 830 NH1 ARG A 53 5.819 3.105 4.770 1.00 0.00 N ATOM 831 NH2 ARG A 53 6.328 1.224 3.613 1.00 0.00 N ATOM 0 H ARG A 53 10.621 3.998 4.341 1.00 0.00 H new ATOM 0 HA ARG A 53 12.519 2.635 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.371 0.678 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.357 1.930 4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.020 2.000 3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.107 0.563 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.569 2.302 6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.843 3.462 4.915 1.00 0.00 H new ATOM 0 HE ARG A 53 7.420 1.229 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.008 3.747 5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.044 3.287 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.914 0.399 3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.553 1.406 2.975 1.00 0.00 H new ATOM 845 N GLN A 54 9.639 3.047 1.257 1.00 0.00 N ATOM 846 CA GLN A 54 8.932 2.839 -0.043 1.00 0.00 C ATOM 847 C GLN A 54 9.801 3.314 -1.211 1.00 0.00 C ATOM 848 O GLN A 54 9.790 2.721 -2.272 1.00 0.00 O ATOM 849 CB GLN A 54 7.656 3.685 0.044 1.00 0.00 C ATOM 850 CG GLN A 54 6.751 3.149 1.157 1.00 0.00 C ATOM 851 CD GLN A 54 5.456 3.963 1.202 1.00 0.00 C ATOM 852 OE1 GLN A 54 4.385 3.434 0.976 1.00 0.00 O ATOM 853 NE2 GLN A 54 5.508 5.239 1.484 1.00 0.00 N ATOM 0 H GLN A 54 9.176 3.689 1.901 1.00 0.00 H new ATOM 0 HA GLN A 54 8.713 1.785 -0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.912 4.726 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.128 3.662 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.525 2.097 0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.264 3.209 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.406 5.683 1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.650 5.790 1.514 1.00 0.00 H new ATOM 862 N ARG A 55 10.543 4.386 -1.023 1.00 0.00 N ATOM 863 CA ARG A 55 11.413 4.923 -2.126 1.00 0.00 C ATOM 864 C ARG A 55 10.565 5.269 -3.365 1.00 0.00 C ATOM 865 O ARG A 55 11.073 5.359 -4.469 1.00 0.00 O ATOM 866 CB ARG A 55 12.411 3.802 -2.452 1.00 0.00 C ATOM 867 CG ARG A 55 13.285 3.505 -1.230 1.00 0.00 C ATOM 868 CD ARG A 55 14.159 2.281 -1.515 1.00 0.00 C ATOM 869 NE ARG A 55 14.807 1.973 -0.207 1.00 0.00 N ATOM 870 CZ ARG A 55 15.603 0.941 -0.100 1.00 0.00 C ATOM 871 NH1 ARG A 55 16.836 1.021 -0.529 1.00 0.00 N ATOM 872 NH2 ARG A 55 15.165 -0.169 0.434 1.00 0.00 N ATOM 0 H ARG A 55 10.583 4.913 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 55 11.922 5.839 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.874 2.902 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.037 4.096 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.911 4.367 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.659 3.323 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.562 1.441 -1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.900 2.493 -2.285 1.00 0.00 H new ATOM 0 HE ARG A 55 14.629 2.567 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.176 1.888 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.458 0.217 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.203 -0.230 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.785 -0.974 0.518 1.00 0.00 H new ATOM 886 N ARG A 56 9.279 5.466 -3.186 1.00 0.00 N ATOM 887 CA ARG A 56 8.387 5.809 -4.334 1.00 0.00 C ATOM 888 C ARG A 56 7.126 6.519 -3.812 1.00 0.00 C ATOM 889 O ARG A 56 6.022 6.261 -4.253 1.00 0.00 O ATOM 890 CB ARG A 56 8.039 4.465 -4.991 1.00 0.00 C ATOM 891 CG ARG A 56 7.046 3.690 -4.117 1.00 0.00 C ATOM 892 CD ARG A 56 7.450 2.215 -4.058 1.00 0.00 C ATOM 893 NE ARG A 56 6.904 1.627 -5.317 1.00 0.00 N ATOM 894 CZ ARG A 56 7.363 0.486 -5.763 1.00 0.00 C ATOM 895 NH1 ARG A 56 8.648 0.328 -5.963 1.00 0.00 N ATOM 896 NH2 ARG A 56 6.536 -0.497 -6.009 1.00 0.00 N ATOM 0 H ARG A 56 8.808 5.402 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 56 8.858 6.484 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.610 4.635 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.945 3.876 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.026 4.112 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.039 3.785 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.533 2.102 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.034 1.724 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 56 6.171 2.116 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.292 1.095 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.004 -0.562 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.536 -0.373 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.891 -1.388 -6.357 1.00 0.00 H new ATOM 910 N ARG A 57 7.296 7.411 -2.867 1.00 0.00 N ATOM 911 CA ARG A 57 6.133 8.153 -2.288 1.00 0.00 C ATOM 912 C ARG A 57 5.279 8.822 -3.387 1.00 0.00 C ATOM 913 O ARG A 57 4.067 8.721 -3.353 1.00 0.00 O ATOM 914 CB ARG A 57 6.761 9.201 -1.364 1.00 0.00 C ATOM 915 CG ARG A 57 5.663 9.971 -0.624 1.00 0.00 C ATOM 916 CD ARG A 57 5.198 9.162 0.588 1.00 0.00 C ATOM 917 NE ARG A 57 4.110 9.994 1.183 1.00 0.00 N ATOM 918 CZ ARG A 57 4.152 10.324 2.449 1.00 0.00 C ATOM 919 NH1 ARG A 57 5.161 11.016 2.912 1.00 0.00 N ATOM 920 NH2 ARG A 57 3.180 9.968 3.250 1.00 0.00 N ATOM 0 H ARG A 57 8.201 7.659 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 57 5.453 7.487 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.423 8.716 -0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.372 9.891 -1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.039 10.942 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.823 10.159 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.833 8.178 0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.011 9.002 1.297 1.00 0.00 H new ATOM 0 HE ARG A 57 3.332 10.306 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.915 11.299 2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.193 11.273 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.390 9.434 2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.212 10.225 4.237 1.00 0.00 H new ATOM 934 N PRO A 58 5.928 9.485 -4.328 1.00 0.00 N ATOM 935 CA PRO A 58 5.181 10.163 -5.423 1.00 0.00 C ATOM 936 C PRO A 58 4.596 9.150 -6.427 1.00 0.00 C ATOM 937 O PRO A 58 3.784 9.507 -7.261 1.00 0.00 O ATOM 938 CB PRO A 58 6.238 11.035 -6.096 1.00 0.00 C ATOM 939 CG PRO A 58 7.537 10.360 -5.791 1.00 0.00 C ATOM 940 CD PRO A 58 7.384 9.667 -4.462 1.00 0.00 C ATOM 0 HA PRO A 58 4.328 10.730 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.070 11.103 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.219 12.053 -5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.789 9.642 -6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.348 11.087 -5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.910 8.712 -4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.789 10.268 -3.648 1.00 0.00 H new ATOM 948 N SER A 59 4.997 7.899 -6.364 1.00 0.00 N ATOM 949 CA SER A 59 4.454 6.891 -7.329 1.00 0.00 C ATOM 950 C SER A 59 3.041 6.453 -6.929 1.00 0.00 C ATOM 951 O SER A 59 2.612 6.661 -5.810 1.00 0.00 O ATOM 952 CB SER A 59 5.417 5.703 -7.264 1.00 0.00 C ATOM 953 OG SER A 59 6.705 6.104 -7.708 1.00 0.00 O ATOM 0 H SER A 59 5.672 7.537 -5.690 1.00 0.00 H new ATOM 0 HA SER A 59 4.380 7.304 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.475 5.326 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.046 4.888 -7.885 1.00 0.00 H new ATOM 0 HG SER A 59 7.163 5.340 -8.115 1.00 0.00 H new ATOM 959 N GLN A 60 2.332 5.839 -7.854 1.00 0.00 N ATOM 960 CA GLN A 60 0.940 5.346 -7.610 1.00 0.00 C ATOM 961 C GLN A 60 0.282 5.051 -8.970 1.00 0.00 C ATOM 962 O GLN A 60 0.512 4.017 -9.565 1.00 0.00 O ATOM 963 CB GLN A 60 0.190 6.464 -6.870 1.00 0.00 C ATOM 964 CG GLN A 60 -1.208 5.973 -6.484 1.00 0.00 C ATOM 965 CD GLN A 60 -2.063 7.133 -5.951 1.00 0.00 C ATOM 966 OE1 GLN A 60 -1.497 8.263 -5.602 1.00 0.00 O flip ATOM 967 NE2 GLN A 60 -3.265 7.006 -5.848 1.00 0.00 N flip ATOM 0 H GLN A 60 2.676 5.656 -8.796 1.00 0.00 H new ATOM 0 HA GLN A 60 0.925 4.433 -7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.743 6.758 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.115 7.347 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.694 5.525 -7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.129 5.194 -5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.710 6.129 -6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.831 7.776 -5.491 1.00 0.00 H new ATOM 976 N GLY A 61 -0.539 5.951 -9.460 1.00 0.00 N ATOM 977 CA GLY A 61 -1.225 5.734 -10.763 1.00 0.00 C ATOM 978 C GLY A 61 -2.468 4.918 -10.464 1.00 0.00 C ATOM 979 O GLY A 61 -2.728 3.907 -11.090 1.00 0.00 O ATOM 0 H GLY A 61 -0.762 6.835 -9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.487 6.685 -11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.574 5.208 -11.461 1.00 0.00 H new ATOM 983 N GLY A 62 -3.210 5.330 -9.466 1.00 0.00 N ATOM 984 CA GLY A 62 -4.406 4.559 -9.061 1.00 0.00 C ATOM 985 C GLY A 62 -3.911 3.194 -8.577 1.00 0.00 C ATOM 986 O GLY A 62 -4.619 2.208 -8.658 1.00 0.00 O ATOM 0 H GLY A 62 -3.031 6.171 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.949 5.076 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.094 4.446 -9.898 1.00 0.00 H new ATOM 990 N GLN A 63 -2.681 3.125 -8.087 1.00 0.00 N ATOM 991 CA GLN A 63 -2.149 1.819 -7.627 1.00 0.00 C ATOM 992 C GLN A 63 -2.697 1.446 -6.248 1.00 0.00 C ATOM 993 O GLN A 63 -2.417 0.381 -5.737 1.00 0.00 O ATOM 994 CB GLN A 63 -0.628 1.958 -7.625 1.00 0.00 C ATOM 995 CG GLN A 63 -0.073 2.427 -6.283 1.00 0.00 C ATOM 996 CD GLN A 63 1.417 2.065 -6.244 1.00 0.00 C ATOM 997 OE1 GLN A 63 1.858 1.255 -5.324 1.00 0.00 O flip ATOM 998 NE2 GLN A 63 2.189 2.525 -7.063 1.00 0.00 N flip ATOM 0 H GLN A 63 -2.043 3.915 -7.993 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.460 1.009 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.181 0.998 -7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.332 2.664 -8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.209 3.502 -6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.605 1.948 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.848 3.160 -7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.178 2.276 -7.028 1.00 0.00 H new ATOM 1007 N THR A 64 -3.481 2.313 -5.652 1.00 0.00 N ATOM 1008 CA THR A 64 -4.078 2.021 -4.311 1.00 0.00 C ATOM 1009 C THR A 64 -2.991 1.922 -3.237 1.00 0.00 C ATOM 1010 O THR A 64 -2.787 0.886 -2.628 1.00 0.00 O ATOM 1011 CB THR A 64 -4.807 0.690 -4.471 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.796 0.796 -5.488 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.462 0.298 -3.151 1.00 0.00 C ATOM 0 H THR A 64 -3.735 3.220 -6.043 1.00 0.00 H new ATOM 0 HA THR A 64 -4.753 2.815 -3.991 1.00 0.00 H new ATOM 0 HB THR A 64 -4.087 -0.077 -4.755 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.362 -0.004 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.981 -0.653 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.697 0.200 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.176 1.067 -2.857 1.00 0.00 H new ATOM 1021 N HIS A 65 -2.306 2.998 -2.993 1.00 0.00 N ATOM 1022 CA HIS A 65 -1.242 2.989 -1.944 1.00 0.00 C ATOM 1023 C HIS A 65 -1.891 3.031 -0.549 1.00 0.00 C ATOM 1024 O HIS A 65 -3.098 2.942 -0.412 1.00 0.00 O ATOM 1025 CB HIS A 65 -0.419 4.250 -2.188 1.00 0.00 C ATOM 1026 CG HIS A 65 0.855 3.921 -2.922 1.00 0.00 C ATOM 1027 ND1 HIS A 65 1.832 2.972 -2.716 1.00 0.00 N flip ATOM 1028 CD2 HIS A 65 1.265 4.650 -4.022 1.00 0.00 C flip ATOM 1029 CE1 HIS A 65 2.831 3.119 -3.673 1.00 0.00 C flip ATOM 1030 NE2 HIS A 65 2.437 4.141 -4.436 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.433 3.889 -3.473 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.623 2.093 -1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.003 4.965 -2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.184 4.726 -1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.738 5.480 -4.469 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.732 2.532 -3.776 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.962 4.493 -5.236 1.00 0.00 H new ATOM 1038 N GLN A 66 -1.096 3.147 0.489 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.657 3.174 1.872 1.00 0.00 C ATOM 1040 C GLN A 66 -0.958 4.239 2.723 1.00 0.00 C ATOM 1041 O GLN A 66 -1.594 5.096 3.299 1.00 0.00 O ATOM 1042 CB GLN A 66 -1.383 1.778 2.437 1.00 0.00 C ATOM 1043 CG GLN A 66 -2.318 0.756 1.785 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.502 -0.259 0.971 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -0.761 0.151 -0.025 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -1.540 -1.442 1.248 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.080 3.224 0.434 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.719 3.421 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.345 1.501 2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.529 1.779 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.896 0.239 2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.031 1.265 1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.117 -1.766 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.995 -2.111 0.704 1.00 0.00 H new ATOM 1055 N ASP A 67 0.344 4.175 2.812 1.00 0.00 N ATOM 1056 CA ASP A 67 1.105 5.165 3.635 1.00 0.00 C ATOM 1057 C ASP A 67 1.287 6.514 2.905 1.00 0.00 C ATOM 1058 O ASP A 67 1.217 7.550 3.538 1.00 0.00 O ATOM 1059 CB ASP A 67 2.463 4.501 3.885 1.00 0.00 C ATOM 1060 CG ASP A 67 3.362 5.448 4.686 1.00 0.00 C ATOM 1061 OD1 ASP A 67 3.062 5.677 5.848 1.00 0.00 O ATOM 1062 OD2 ASP A 67 4.335 5.928 4.125 1.00 0.00 O ATOM 0 H ASP A 67 0.919 3.473 2.346 1.00 0.00 H new ATOM 0 HA ASP A 67 0.574 5.403 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.327 3.566 4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.937 4.251 2.936 1.00 0.00 H new ATOM 1067 N PRO A 68 1.538 6.475 1.608 1.00 0.00 N ATOM 1068 CA PRO A 68 1.742 7.732 0.846 1.00 0.00 C ATOM 1069 C PRO A 68 0.420 8.489 0.608 1.00 0.00 C ATOM 1070 O PRO A 68 0.405 9.705 0.597 1.00 0.00 O ATOM 1071 CB PRO A 68 2.353 7.268 -0.471 1.00 0.00 C ATOM 1072 CG PRO A 68 1.896 5.856 -0.629 1.00 0.00 C ATOM 1073 CD PRO A 68 1.663 5.289 0.748 1.00 0.00 C ATOM 0 HA PRO A 68 2.376 8.437 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.017 7.888 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.441 7.331 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.980 5.815 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.645 5.270 -1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.762 4.677 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.491 4.654 1.063 1.00 0.00 H new ATOM 1081 N ILE A 69 -0.689 7.798 0.407 1.00 0.00 N ATOM 1082 CA ILE A 69 -1.982 8.529 0.163 1.00 0.00 C ATOM 1083 C ILE A 69 -3.117 7.999 1.084 1.00 0.00 C ATOM 1084 O ILE A 69 -4.219 7.747 0.639 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.287 8.342 -1.359 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -3.199 7.137 -1.635 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -0.980 8.139 -2.140 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -2.641 5.889 -0.958 1.00 0.00 C ATOM 0 H ILE A 69 -0.753 6.780 0.402 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.908 9.588 0.408 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.801 9.247 -1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.205 7.341 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.280 6.971 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.205 8.010 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.339 9.011 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.467 7.252 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.296 5.042 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.645 5.679 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.583 6.054 0.118 1.00 0.00 H new ATOM 1100 N PRO A 70 -2.815 7.875 2.364 1.00 0.00 N ATOM 1101 CA PRO A 70 -3.826 7.392 3.351 1.00 0.00 C ATOM 1102 C PRO A 70 -4.956 8.417 3.558 1.00 0.00 C ATOM 1103 O PRO A 70 -5.911 8.155 4.265 1.00 0.00 O ATOM 1104 CB PRO A 70 -3.022 7.231 4.640 1.00 0.00 C ATOM 1105 CG PRO A 70 -1.868 8.166 4.473 1.00 0.00 C ATOM 1106 CD PRO A 70 -1.528 8.169 3.007 1.00 0.00 C ATOM 0 HA PRO A 70 -4.313 6.474 3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.618 7.487 5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.685 6.203 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.129 9.168 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.015 7.840 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.129 9.132 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.776 7.417 2.766 1.00 0.00 H new ATOM 1114 N LYS A 71 -4.855 9.578 2.957 1.00 0.00 N ATOM 1115 CA LYS A 71 -5.925 10.612 3.135 1.00 0.00 C ATOM 1116 C LYS A 71 -7.094 10.368 2.166 1.00 0.00 C ATOM 1117 O LYS A 71 -8.235 10.645 2.487 1.00 0.00 O ATOM 1118 CB LYS A 71 -5.253 11.971 2.866 1.00 0.00 C ATOM 1119 CG LYS A 71 -4.551 11.981 1.500 1.00 0.00 C ATOM 1120 CD LYS A 71 -3.157 12.600 1.637 1.00 0.00 C ATOM 1121 CE LYS A 71 -2.207 11.597 2.300 1.00 0.00 C ATOM 1122 NZ LYS A 71 -0.851 12.192 2.111 1.00 0.00 N ATOM 0 H LYS A 71 -4.081 9.855 2.353 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.349 10.575 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.001 12.763 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.528 12.184 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.471 10.965 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.142 12.549 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.776 12.882 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.211 13.512 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.440 11.467 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.278 10.614 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.247 11.522 1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.932 13.075 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.428 12.394 3.039 1.00 0.00 H new ATOM 1136 N GLN A 72 -6.822 9.852 0.991 1.00 0.00 N ATOM 1137 CA GLN A 72 -7.918 9.587 0.004 1.00 0.00 C ATOM 1138 C GLN A 72 -7.422 8.621 -1.078 1.00 0.00 C ATOM 1139 O GLN A 72 -6.246 8.319 -1.138 1.00 0.00 O ATOM 1140 CB GLN A 72 -8.284 10.950 -0.627 1.00 0.00 C ATOM 1141 CG GLN A 72 -7.130 11.960 -0.519 1.00 0.00 C ATOM 1142 CD GLN A 72 -6.150 11.789 -1.687 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -6.302 12.421 -2.714 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -5.143 10.959 -1.578 1.00 0.00 N ATOM 0 H GLN A 72 -5.886 9.602 0.672 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.784 9.134 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.544 10.806 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.167 11.354 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.527 12.975 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.605 11.821 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.012 10.427 -0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.490 10.845 -2.353 1.00 0.00 H new ATOM 1153 N PRO A 73 -8.331 8.179 -1.916 1.00 0.00 N ATOM 1154 CA PRO A 73 -7.956 7.257 -3.016 1.00 0.00 C ATOM 1155 C PRO A 73 -6.977 7.966 -3.959 1.00 0.00 C ATOM 1156 O PRO A 73 -5.868 7.507 -4.156 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.291 6.940 -3.691 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.163 8.101 -3.328 1.00 0.00 C ATOM 1159 CD PRO A 73 -9.768 8.491 -1.930 1.00 0.00 C ATOM 0 HA PRO A 73 -7.451 6.348 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.180 6.846 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.708 5.999 -3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.018 8.930 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.217 7.827 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.958 9.546 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.316 7.922 -1.178 1.00 0.00 H new ATOM 1167 N SER A 74 -7.373 9.101 -4.504 1.00 0.00 N ATOM 1168 CA SER A 74 -6.477 9.896 -5.407 1.00 0.00 C ATOM 1169 C SER A 74 -6.083 9.107 -6.661 1.00 0.00 C ATOM 1170 O SER A 74 -5.779 7.941 -6.594 1.00 0.00 O ATOM 1171 CB SER A 74 -5.251 10.233 -4.548 1.00 0.00 C ATOM 1172 OG SER A 74 -4.117 9.491 -4.977 1.00 0.00 O ATOM 0 H SER A 74 -8.294 9.513 -4.356 1.00 0.00 H new ATOM 0 HA SER A 74 -6.975 10.791 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.039 11.300 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.462 10.012 -3.502 1.00 0.00 H new ATOM 0 HG SER A 74 -3.305 9.882 -4.591 1.00 0.00 H new ATOM 1178 N SER A 75 -6.078 9.758 -7.804 1.00 0.00 N ATOM 1179 CA SER A 75 -5.692 9.084 -9.091 1.00 0.00 C ATOM 1180 C SER A 75 -6.846 8.246 -9.671 1.00 0.00 C ATOM 1181 O SER A 75 -6.936 8.082 -10.867 1.00 0.00 O ATOM 1182 CB SER A 75 -4.479 8.200 -8.772 1.00 0.00 C ATOM 1183 OG SER A 75 -3.539 8.280 -9.833 1.00 0.00 O ATOM 0 H SER A 75 -6.329 10.742 -7.901 1.00 0.00 H new ATOM 0 HA SER A 75 -5.453 9.828 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.017 8.522 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.796 7.167 -8.631 1.00 0.00 H new ATOM 0 HG SER A 75 -2.634 8.152 -9.479 1.00 0.00 H new ATOM 1189 N GLN A 76 -7.728 7.713 -8.855 1.00 0.00 N ATOM 1190 CA GLN A 76 -8.856 6.899 -9.418 1.00 0.00 C ATOM 1191 C GLN A 76 -10.218 7.635 -9.383 1.00 0.00 C ATOM 1192 O GLN A 76 -11.043 7.375 -10.240 1.00 0.00 O ATOM 1193 CB GLN A 76 -8.904 5.577 -8.629 1.00 0.00 C ATOM 1194 CG GLN A 76 -8.910 5.806 -7.116 1.00 0.00 C ATOM 1195 CD GLN A 76 -7.686 5.133 -6.494 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -6.500 5.611 -6.752 1.00 0.00 O flip ATOM 1197 NE2 GLN A 76 -7.808 4.164 -5.771 1.00 0.00 N flip ATOM 0 H GLN A 76 -7.717 7.804 -7.839 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.671 6.714 -10.476 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.796 5.018 -8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.044 4.964 -8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.901 6.874 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.823 5.400 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.736 3.791 -5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.982 3.723 -5.365 1.00 0.00 H new ATOM 1206 N PRO A 77 -10.440 8.539 -8.435 1.00 0.00 N ATOM 1207 CA PRO A 77 -11.734 9.265 -8.411 1.00 0.00 C ATOM 1208 C PRO A 77 -11.735 10.357 -9.491 1.00 0.00 C ATOM 1209 O PRO A 77 -12.775 10.761 -9.976 1.00 0.00 O ATOM 1210 CB PRO A 77 -11.784 9.889 -7.022 1.00 0.00 C ATOM 1211 CG PRO A 77 -10.351 10.034 -6.618 1.00 0.00 C ATOM 1212 CD PRO A 77 -9.561 8.967 -7.334 1.00 0.00 C ATOM 0 HA PRO A 77 -12.591 8.620 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.290 10.854 -7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.330 9.256 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.979 11.025 -6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.246 9.928 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.615 9.357 -7.709 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.322 8.136 -6.670 1.00 0.00 H new ATOM 1220 N ARG A 78 -10.568 10.837 -9.857 1.00 0.00 N ATOM 1221 CA ARG A 78 -10.468 11.908 -10.895 1.00 0.00 C ATOM 1222 C ARG A 78 -9.402 11.565 -11.952 1.00 0.00 C ATOM 1223 O ARG A 78 -9.526 11.942 -13.103 1.00 0.00 O ATOM 1224 CB ARG A 78 -10.072 13.172 -10.119 1.00 0.00 C ATOM 1225 CG ARG A 78 -8.753 12.944 -9.367 1.00 0.00 C ATOM 1226 CD ARG A 78 -8.515 14.093 -8.382 1.00 0.00 C ATOM 1227 NE ARG A 78 -8.001 15.210 -9.230 1.00 0.00 N ATOM 1228 CZ ARG A 78 -7.526 16.291 -8.669 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -8.335 17.126 -8.068 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -6.243 16.538 -8.710 1.00 0.00 N ATOM 0 H ARG A 78 -9.674 10.528 -9.476 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.404 12.031 -11.439 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.966 14.011 -10.807 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.860 13.436 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.788 11.995 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.926 12.881 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.435 14.374 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.795 13.814 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.021 15.129 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.336 16.933 -8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.964 17.969 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.613 15.887 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.872 17.381 -8.272 1.00 0.00 H new ATOM 1244 N GLY A 79 -8.356 10.858 -11.578 1.00 0.00 N ATOM 1245 CA GLY A 79 -7.292 10.501 -12.567 1.00 0.00 C ATOM 1246 C GLY A 79 -7.736 9.276 -13.371 1.00 0.00 C ATOM 1247 O GLY A 79 -8.842 9.226 -13.878 1.00 0.00 O ATOM 0 H GLY A 79 -8.197 10.515 -10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.105 11.341 -13.236 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.355 10.291 -12.050 1.00 0.00 H new ATOM 1251 N ASP A 80 -6.890 8.280 -13.474 1.00 0.00 N ATOM 1252 CA ASP A 80 -7.270 7.044 -14.223 1.00 0.00 C ATOM 1253 C ASP A 80 -8.249 6.231 -13.369 1.00 0.00 C ATOM 1254 O ASP A 80 -7.892 5.756 -12.307 1.00 0.00 O ATOM 1255 CB ASP A 80 -5.962 6.272 -14.431 1.00 0.00 C ATOM 1256 CG ASP A 80 -5.097 6.992 -15.472 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -4.387 7.908 -15.092 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -5.159 6.614 -16.629 1.00 0.00 O ATOM 0 H ASP A 80 -5.953 8.271 -13.071 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.754 7.258 -15.176 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.422 6.192 -13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.177 5.256 -14.762 1.00 0.00 H new ATOM 1263 N PRO A 81 -9.466 6.118 -13.847 1.00 0.00 N ATOM 1264 CA PRO A 81 -10.516 5.380 -13.096 1.00 0.00 C ATOM 1265 C PRO A 81 -10.180 3.890 -12.977 1.00 0.00 C ATOM 1266 O PRO A 81 -10.177 3.164 -13.954 1.00 0.00 O ATOM 1267 CB PRO A 81 -11.776 5.601 -13.931 1.00 0.00 C ATOM 1268 CG PRO A 81 -11.260 5.881 -15.305 1.00 0.00 C ATOM 1269 CD PRO A 81 -9.978 6.647 -15.120 1.00 0.00 C ATOM 0 HA PRO A 81 -10.622 5.730 -12.069 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.421 4.722 -13.919 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.366 6.435 -13.549 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.085 4.955 -15.852 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.981 6.461 -15.882 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.281 6.474 -15.940 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.152 7.722 -15.071 1.00 0.00 H new ATOM 1277 N THR A 82 -9.912 3.434 -11.777 1.00 0.00 N ATOM 1278 CA THR A 82 -9.592 1.985 -11.569 1.00 0.00 C ATOM 1279 C THR A 82 -10.814 1.128 -11.918 1.00 0.00 C ATOM 1280 O THR A 82 -10.688 0.030 -12.425 1.00 0.00 O ATOM 1281 CB THR A 82 -9.253 1.843 -10.077 1.00 0.00 C ATOM 1282 OG1 THR A 82 -10.190 2.577 -9.298 1.00 0.00 O ATOM 1283 CG2 THR A 82 -7.841 2.375 -9.815 1.00 0.00 C ATOM 0 H THR A 82 -9.901 4.003 -10.931 1.00 0.00 H new ATOM 0 HA THR A 82 -8.767 1.655 -12.200 1.00 0.00 H new ATOM 0 HB THR A 82 -9.300 0.790 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.015 2.057 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.604 2.273 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.122 1.805 -10.404 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.790 3.426 -10.098 1.00 0.00 H new ATOM 1291 N GLY A 83 -11.994 1.633 -11.653 1.00 0.00 N ATOM 1292 CA GLY A 83 -13.231 0.867 -11.967 1.00 0.00 C ATOM 1293 C GLY A 83 -14.414 1.477 -11.208 1.00 0.00 C ATOM 1294 O GLY A 83 -15.108 2.328 -11.731 1.00 0.00 O ATOM 0 H GLY A 83 -12.150 2.548 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.423 0.889 -13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.105 -0.179 -11.687 1.00 0.00 H new ATOM 1298 N PRO A 84 -14.607 1.013 -9.997 1.00 0.00 N ATOM 1299 CA PRO A 84 -15.714 1.497 -9.150 1.00 0.00 C ATOM 1300 C PRO A 84 -15.255 2.609 -8.185 1.00 0.00 C ATOM 1301 O PRO A 84 -16.049 3.129 -7.422 1.00 0.00 O ATOM 1302 CB PRO A 84 -16.097 0.240 -8.374 1.00 0.00 C ATOM 1303 CG PRO A 84 -14.854 -0.622 -8.363 1.00 0.00 C ATOM 1304 CD PRO A 84 -13.833 -0.008 -9.296 1.00 0.00 C ATOM 0 HA PRO A 84 -16.530 1.938 -9.723 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.413 0.486 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.929 -0.277 -8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.450 -0.691 -7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.094 -1.637 -8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.995 0.424 -8.750 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.419 -0.745 -9.984 1.00 0.00 H new ATOM 1312 N LYS A 85 -13.993 2.977 -8.202 1.00 0.00 N ATOM 1313 CA LYS A 85 -13.514 4.049 -7.272 1.00 0.00 C ATOM 1314 C LYS A 85 -13.592 5.432 -7.943 1.00 0.00 C ATOM 1315 O LYS A 85 -12.880 6.348 -7.572 1.00 0.00 O ATOM 1316 CB LYS A 85 -12.057 3.688 -6.946 1.00 0.00 C ATOM 1317 CG LYS A 85 -11.950 2.227 -6.476 1.00 0.00 C ATOM 1318 CD LYS A 85 -13.040 1.908 -5.444 1.00 0.00 C ATOM 1319 CE LYS A 85 -12.839 2.767 -4.190 1.00 0.00 C ATOM 1320 NZ LYS A 85 -13.954 2.364 -3.285 1.00 0.00 N ATOM 0 H LYS A 85 -13.280 2.583 -8.816 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.129 4.104 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.434 3.838 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.677 4.353 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.044 1.557 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.967 2.051 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.025 2.098 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.005 0.851 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.868 2.581 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.882 3.830 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.894 2.904 -2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.865 2.558 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.882 1.348 -3.076 1.00 0.00 H new ATOM 1334 N GLU A 86 -14.454 5.592 -8.920 1.00 0.00 N ATOM 1335 CA GLU A 86 -14.582 6.914 -9.606 1.00 0.00 C ATOM 1336 C GLU A 86 -15.395 7.886 -8.742 1.00 0.00 C ATOM 1337 O GLU A 86 -16.527 7.562 -8.416 1.00 0.00 O ATOM 1338 CB GLU A 86 -15.312 6.612 -10.918 1.00 0.00 C ATOM 1339 CG GLU A 86 -14.340 5.955 -11.901 1.00 0.00 C ATOM 1340 CD GLU A 86 -14.957 5.945 -13.301 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -15.634 4.981 -13.621 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -14.744 6.900 -14.029 1.00 0.00 O ATOM 1343 OXT GLU A 86 -14.872 8.939 -8.418 1.00 0.00 O ATOM 0 H GLU A 86 -15.074 4.862 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.614 7.384 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.160 5.952 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.712 7.532 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.395 6.499 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.118 4.936 -11.583 1.00 0.00 H new TER 1350 GLU A 86