USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 840 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 34 CYS SG : rot 180:sc= -1.01 USER MOD Set 1.2: A 37 CYS SG : rot 84:sc= -1.27 USER MOD Set 2.1: A 30 TYR OH : rot -137:sc= 0.754 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.26 K(o=-2.3,f=-2.8) USER MOD Single : A 26 MET CE :methyl 151:sc= -0.0893 (180deg=-0.918) USER MOD Single : A 38 GLN : amide:sc= -3.25! C(o=-3.3!,f=-3.5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.713 F(o=-1.5!,f=-0.71) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.545 K(o=0.55,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 66 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.6) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.724 K(o=-0.72,f=-5.2!) USER MOD Single : A 80 THR OG1 : rot 105:sc= 1.01 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.76 X(o=-0.76,f=-0.43) USER MOD Single : A 84 CYS SG : rot 103:sc= -0.146 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 25:sc= 0.0764 USER MOD Single : A 93 GLN :FLIP amide:sc= -3.99! C(o=-5.9!,f=-4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -1.51 F(o=-2.5!,f=-1.5) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 176:sc= 1.02 (180deg=0.89) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.840 -5.657 -1.284 1.00 0.00 N ATOM 67 CA ASN A 8 -8.851 -6.320 -0.442 1.00 0.00 C ATOM 68 C ASN A 8 -8.104 -5.306 0.420 1.00 0.00 C ATOM 69 O ASN A 8 -7.714 -5.603 1.550 1.00 0.00 O ATOM 70 CB ASN A 8 -7.859 -7.102 -1.304 1.00 0.00 C ATOM 71 CG ASN A 8 -8.541 -7.863 -2.425 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.199 -8.877 -2.191 1.00 0.00 O ATOM 73 ND2 ASN A 8 -8.387 -7.375 -3.650 1.00 0.00 N ATOM 0 HA ASN A 8 -9.376 -7.013 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.129 -6.413 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.309 -7.802 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.823 -7.844 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.833 -6.531 -3.797 1.00 0.00 H new ATOM 80 N VAL A 9 -7.907 -4.108 -0.121 1.00 0.00 N ATOM 81 CA VAL A 9 -7.209 -3.050 0.598 1.00 0.00 C ATOM 82 C VAL A 9 -8.015 -2.580 1.804 1.00 0.00 C ATOM 83 O VAL A 9 -9.221 -2.353 1.706 1.00 0.00 O ATOM 84 CB VAL A 9 -6.923 -1.844 -0.316 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.105 -0.795 0.423 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.210 -2.293 -1.582 1.00 0.00 C ATOM 0 H VAL A 9 -8.221 -3.846 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.263 -3.471 0.939 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.874 -1.393 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.913 0.049 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.658 -0.452 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.157 -1.230 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.016 -1.428 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.266 -2.769 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.837 -3.004 -2.120 1.00 0.00 H new ATOM 96 N ARG A 10 -7.341 -2.435 2.940 1.00 0.00 N ATOM 97 CA ARG A 10 -7.995 -1.993 4.166 1.00 0.00 C ATOM 98 C ARG A 10 -7.922 -0.475 4.303 1.00 0.00 C ATOM 99 O ARG A 10 -6.952 0.152 3.876 1.00 0.00 O ATOM 100 CB ARG A 10 -7.348 -2.657 5.382 1.00 0.00 C ATOM 101 CG ARG A 10 -7.852 -4.067 5.646 1.00 0.00 C ATOM 102 CD ARG A 10 -9.065 -4.063 6.563 1.00 0.00 C ATOM 103 NE ARG A 10 -10.313 -3.917 5.820 1.00 0.00 N ATOM 104 CZ ARG A 10 -10.937 -4.928 5.225 1.00 0.00 C ATOM 105 NH1 ARG A 10 -10.431 -6.152 5.287 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.070 -4.715 4.567 1.00 0.00 N ATOM 0 H ARG A 10 -6.342 -2.617 3.037 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.044 -2.287 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.268 -2.687 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.534 -2.043 6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.111 -4.545 4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.056 -4.661 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.090 -4.991 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.974 -3.248 7.281 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.729 -2.988 5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.561 -6.319 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.912 -6.926 4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.462 -3.775 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.548 -5.492 4.110 1.00 0.00 H new ATOM 120 N VAL A 11 -8.954 0.110 4.902 1.00 0.00 N ATOM 121 CA VAL A 11 -9.007 1.554 5.096 1.00 0.00 C ATOM 122 C VAL A 11 -8.669 1.928 6.535 1.00 0.00 C ATOM 123 O VAL A 11 -9.513 1.832 7.427 1.00 0.00 O ATOM 124 CB VAL A 11 -10.397 2.117 4.745 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.466 3.605 5.057 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.724 1.855 3.282 1.00 0.00 C ATOM 0 H VAL A 11 -9.765 -0.394 5.261 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.266 1.990 4.426 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.141 1.607 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.456 3.985 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.279 3.763 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.713 4.134 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.710 2.259 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.977 2.336 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.720 0.781 3.095 1.00 0.00 H new ATOM 136 N ILE A 12 -7.429 2.355 6.754 1.00 0.00 N ATOM 137 CA ILE A 12 -6.980 2.744 8.084 1.00 0.00 C ATOM 138 C ILE A 12 -7.495 4.131 8.454 1.00 0.00 C ATOM 139 O ILE A 12 -7.502 5.045 7.629 1.00 0.00 O ATOM 140 CB ILE A 12 -5.443 2.737 8.184 1.00 0.00 C ATOM 141 CG1 ILE A 12 -4.896 1.343 7.867 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.000 3.184 9.569 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.300 0.292 8.878 1.00 0.00 C ATOM 0 H ILE A 12 -6.719 2.440 6.027 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.385 2.010 8.781 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.043 3.439 7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.246 1.040 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.808 1.390 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.911 3.174 9.624 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.363 4.194 9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.407 2.505 10.318 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.877 -0.671 8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.927 0.572 9.863 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.387 0.216 8.910 1.00 0.00 H new ATOM 155 N THR A 13 -7.926 4.282 9.703 1.00 0.00 N ATOM 156 CA THR A 13 -8.443 5.557 10.184 1.00 0.00 C ATOM 157 C THR A 13 -7.737 5.989 11.465 1.00 0.00 C ATOM 158 O THR A 13 -6.796 5.337 11.916 1.00 0.00 O ATOM 159 CB THR A 13 -9.959 5.486 10.445 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.295 4.230 11.044 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.740 5.662 9.152 1.00 0.00 C ATOM 0 H THR A 13 -7.927 3.537 10.399 1.00 0.00 H new ATOM 0 HA THR A 13 -8.251 6.291 9.402 1.00 0.00 H new ATOM 0 HB THR A 13 -10.226 6.295 11.125 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.260 4.194 11.208 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.808 5.608 9.362 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.505 6.632 8.714 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.468 4.872 8.452 1.00 0.00 H new ATOM 169 N ASP A 14 -8.199 7.090 12.047 1.00 0.00 N ATOM 170 CA ASP A 14 -7.613 7.608 13.278 1.00 0.00 C ATOM 171 C ASP A 14 -7.870 6.657 14.443 1.00 0.00 C ATOM 172 O ASP A 14 -7.410 6.892 15.560 1.00 0.00 O ATOM 173 CB ASP A 14 -8.182 8.991 13.596 1.00 0.00 C ATOM 174 CG ASP A 14 -7.275 9.795 14.507 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.228 10.278 14.025 1.00 0.00 O ATOM 176 OD2 ASP A 14 -7.611 9.941 15.700 1.00 0.00 O ATOM 0 H ASP A 14 -8.978 7.641 11.686 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.536 7.692 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.337 9.539 12.667 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.159 8.879 14.067 1.00 0.00 H new ATOM 181 N GLU A 15 -8.609 5.586 14.174 1.00 0.00 N ATOM 182 CA GLU A 15 -8.929 4.602 15.202 1.00 0.00 C ATOM 183 C GLU A 15 -8.343 3.237 14.850 1.00 0.00 C ATOM 184 O GLU A 15 -7.718 2.584 15.684 1.00 0.00 O ATOM 185 CB GLU A 15 -10.444 4.489 15.378 1.00 0.00 C ATOM 186 CG GLU A 15 -11.010 5.445 16.415 1.00 0.00 C ATOM 187 CD GLU A 15 -10.578 5.097 17.826 1.00 0.00 C ATOM 188 OE1 GLU A 15 -9.407 5.358 18.170 1.00 0.00 O ATOM 189 OE2 GLU A 15 -11.413 4.563 18.586 1.00 0.00 O ATOM 0 H GLU A 15 -8.997 5.377 13.254 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.486 4.937 16.140 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.928 4.678 14.420 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.693 3.467 15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.690 6.460 16.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.098 5.433 16.359 1.00 0.00 H new ATOM 196 N ASN A 16 -8.552 2.813 13.607 1.00 0.00 N ATOM 197 CA ASN A 16 -8.046 1.527 13.144 1.00 0.00 C ATOM 198 C ASN A 16 -6.521 1.499 13.172 1.00 0.00 C ATOM 199 O ASN A 16 -5.911 0.435 13.277 1.00 0.00 O ATOM 200 CB ASN A 16 -8.547 1.239 11.727 1.00 0.00 C ATOM 201 CG ASN A 16 -8.572 -0.244 11.412 1.00 0.00 C ATOM 202 OD1 ASN A 16 -7.941 -1.047 12.100 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.303 -0.615 10.368 1.00 0.00 N ATOM 0 H ASN A 16 -9.068 3.342 12.904 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.417 0.755 13.818 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.550 1.650 11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.907 1.750 11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.358 -1.600 10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.810 0.085 9.826 1.00 0.00 H new ATOM 210 N TRP A 17 -5.912 2.675 13.077 1.00 0.00 N ATOM 211 CA TRP A 17 -4.458 2.786 13.092 1.00 0.00 C ATOM 212 C TRP A 17 -3.846 1.785 14.065 1.00 0.00 C ATOM 213 O TRP A 17 -2.907 1.066 13.721 1.00 0.00 O ATOM 214 CB TRP A 17 -4.039 4.207 13.472 1.00 0.00 C ATOM 215 CG TRP A 17 -3.946 4.423 14.952 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.871 5.032 15.751 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.867 4.034 15.809 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.433 5.044 17.053 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.206 4.437 17.115 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.649 3.382 15.601 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.370 4.210 18.205 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.820 3.157 16.683 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.183 3.570 17.972 1.00 0.00 C ATOM 0 H TRP A 17 -6.402 3.565 12.989 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.091 2.562 12.091 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.072 4.427 13.019 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.755 4.914 13.053 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.809 5.444 15.409 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.939 5.440 17.845 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.361 3.059 14.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.648 4.528 19.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.124 2.654 16.533 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.513 3.380 18.797 1.00 0.00 H new ATOM 234 N ARG A 18 -4.382 1.743 15.280 1.00 0.00 N ATOM 235 CA ARG A 18 -3.887 0.829 16.302 1.00 0.00 C ATOM 236 C ARG A 18 -3.601 -0.547 15.709 1.00 0.00 C ATOM 237 O ARG A 18 -2.500 -1.078 15.852 1.00 0.00 O ATOM 238 CB ARG A 18 -4.902 0.705 17.440 1.00 0.00 C ATOM 239 CG ARG A 18 -4.795 1.812 18.476 1.00 0.00 C ATOM 240 CD ARG A 18 -5.395 1.389 19.807 1.00 0.00 C ATOM 241 NE ARG A 18 -4.938 2.235 20.907 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.453 2.192 22.130 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.439 1.350 22.409 1.00 0.00 N ATOM 244 NH2 ARG A 18 -4.983 2.993 23.078 1.00 0.00 N ATOM 0 H ARG A 18 -5.159 2.331 15.581 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.956 1.236 16.697 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.908 0.708 17.020 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.766 -0.257 17.934 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.748 2.080 18.617 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.306 2.703 18.112 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.482 1.432 19.744 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.128 0.352 20.012 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.182 2.895 20.725 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.804 0.733 21.683 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.833 1.319 23.349 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.225 3.643 22.867 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.379 2.959 24.017 1.00 0.00 H new ATOM 258 N GLU A 19 -4.600 -1.119 15.044 1.00 0.00 N ATOM 259 CA GLU A 19 -4.454 -2.434 14.431 1.00 0.00 C ATOM 260 C GLU A 19 -3.084 -2.580 13.775 1.00 0.00 C ATOM 261 O GLU A 19 -2.497 -3.663 13.772 1.00 0.00 O ATOM 262 CB GLU A 19 -5.556 -2.662 13.393 1.00 0.00 C ATOM 263 CG GLU A 19 -6.906 -3.000 14.003 1.00 0.00 C ATOM 264 CD GLU A 19 -7.737 -3.905 13.115 1.00 0.00 C ATOM 265 OE1 GLU A 19 -8.482 -3.377 12.262 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.644 -5.140 13.273 1.00 0.00 O ATOM 0 H GLU A 19 -5.518 -0.693 14.916 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.543 -3.185 15.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.658 -1.766 12.781 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.255 -3.471 12.727 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.754 -3.484 14.968 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.456 -2.078 14.192 1.00 0.00 H new ATOM 273 N LEU A 20 -2.581 -1.483 13.220 1.00 0.00 N ATOM 274 CA LEU A 20 -1.280 -1.488 12.559 1.00 0.00 C ATOM 275 C LEU A 20 -0.201 -2.039 13.486 1.00 0.00 C ATOM 276 O LEU A 20 0.637 -2.840 13.073 1.00 0.00 O ATOM 277 CB LEU A 20 -0.909 -0.073 12.110 1.00 0.00 C ATOM 278 CG LEU A 20 -1.850 0.576 11.094 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.572 2.068 10.988 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.710 -0.092 9.735 1.00 0.00 C ATOM 0 H LEU A 20 -3.054 -0.579 13.214 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.346 -2.135 11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.862 0.566 12.992 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.093 -0.100 11.682 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.875 0.441 11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.251 2.514 10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.724 2.536 11.960 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.542 2.224 10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.387 0.383 9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.684 0.011 9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.959 -1.150 9.822 1.00 0.00 H new ATOM 292 N LEU A 21 -0.229 -1.605 14.742 1.00 0.00 N ATOM 293 CA LEU A 21 0.745 -2.056 15.729 1.00 0.00 C ATOM 294 C LEU A 21 0.720 -3.575 15.864 1.00 0.00 C ATOM 295 O LEU A 21 1.646 -4.174 16.409 1.00 0.00 O ATOM 296 CB LEU A 21 0.464 -1.407 17.085 1.00 0.00 C ATOM 297 CG LEU A 21 0.424 0.121 17.103 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.244 0.623 18.373 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.829 0.693 16.976 1.00 0.00 C ATOM 0 H LEU A 21 -0.916 -0.941 15.100 1.00 0.00 H new ATOM 0 HA LEU A 21 1.736 -1.757 15.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.492 -1.780 17.452 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.227 -1.739 17.789 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.164 0.460 16.250 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.263 1.713 18.368 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.264 0.242 18.422 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.316 0.274 19.241 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.781 1.782 16.991 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.440 0.345 17.809 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.273 0.362 16.037 1.00 0.00 H new ATOM 311 N GLU A 22 -0.345 -4.191 15.362 1.00 0.00 N ATOM 312 CA GLU A 22 -0.489 -5.641 15.426 1.00 0.00 C ATOM 313 C GLU A 22 -0.137 -6.282 14.087 1.00 0.00 C ATOM 314 O GLU A 22 -0.598 -5.841 13.034 1.00 0.00 O ATOM 315 CB GLU A 22 -1.918 -6.017 15.823 1.00 0.00 C ATOM 316 CG GLU A 22 -2.343 -5.456 17.171 1.00 0.00 C ATOM 317 CD GLU A 22 -2.028 -6.396 18.318 1.00 0.00 C ATOM 318 OE1 GLU A 22 -0.985 -7.079 18.256 1.00 0.00 O ATOM 319 OE2 GLU A 22 -2.825 -6.448 19.279 1.00 0.00 O ATOM 0 H GLU A 22 -1.120 -3.709 14.907 1.00 0.00 H new ATOM 0 HA GLU A 22 0.201 -6.016 16.182 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.605 -5.659 15.057 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.006 -7.103 15.847 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.841 -4.503 17.339 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.414 -5.254 17.155 1.00 0.00 H new ATOM 326 N GLY A 23 0.684 -7.327 14.135 1.00 0.00 N ATOM 327 CA GLY A 23 1.085 -8.012 12.920 1.00 0.00 C ATOM 328 C GLY A 23 1.581 -7.057 11.853 1.00 0.00 C ATOM 329 O GLY A 23 1.634 -5.846 12.069 1.00 0.00 O ATOM 0 H GLY A 23 1.078 -7.711 14.994 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.871 -8.730 13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.240 -8.580 12.531 1.00 0.00 H new ATOM 333 N ASP A 24 1.947 -7.602 10.697 1.00 0.00 N ATOM 334 CA ASP A 24 2.442 -6.790 9.592 1.00 0.00 C ATOM 335 C ASP A 24 1.306 -6.003 8.945 1.00 0.00 C ATOM 336 O ASP A 24 0.176 -6.484 8.857 1.00 0.00 O ATOM 337 CB ASP A 24 3.126 -7.674 8.548 1.00 0.00 C ATOM 338 CG ASP A 24 4.525 -8.084 8.965 1.00 0.00 C ATOM 339 OD1 ASP A 24 5.471 -7.311 8.708 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.673 -9.179 9.547 1.00 0.00 O ATOM 0 H ASP A 24 1.910 -8.602 10.502 1.00 0.00 H new ATOM 0 HA ASP A 24 3.169 -6.083 9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.523 -8.567 8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.175 -7.140 7.599 1.00 0.00 H new ATOM 345 N TRP A 25 1.614 -4.792 8.495 1.00 0.00 N ATOM 346 CA TRP A 25 0.619 -3.938 7.856 1.00 0.00 C ATOM 347 C TRP A 25 1.272 -3.003 6.845 1.00 0.00 C ATOM 348 O TRP A 25 2.146 -2.210 7.194 1.00 0.00 O ATOM 349 CB TRP A 25 -0.136 -3.124 8.909 1.00 0.00 C ATOM 350 CG TRP A 25 -1.238 -3.891 9.575 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.106 -4.823 10.565 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.639 -3.793 9.297 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.341 -5.310 10.919 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.298 -4.694 10.157 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.401 -3.031 8.408 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.681 -4.852 10.150 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.774 -3.189 8.403 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.403 -4.093 9.269 1.00 0.00 C ATOM 0 H TRP A 25 2.544 -4.379 8.561 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.087 -4.578 7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.568 -2.782 9.667 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.555 -2.234 8.439 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.169 -5.132 11.005 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.517 -6.016 11.634 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.926 -2.331 7.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.167 -5.549 10.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.373 -2.605 7.719 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.478 -4.193 9.241 1.00 0.00 H new ATOM 369 N MET A 26 0.842 -3.100 5.591 1.00 0.00 N ATOM 370 CA MET A 26 1.385 -2.261 4.530 1.00 0.00 C ATOM 371 C MET A 26 0.492 -1.049 4.284 1.00 0.00 C ATOM 372 O MET A 26 -0.642 -1.186 3.823 1.00 0.00 O ATOM 373 CB MET A 26 1.537 -3.067 3.239 1.00 0.00 C ATOM 374 CG MET A 26 2.819 -3.882 3.178 1.00 0.00 C ATOM 375 SD MET A 26 4.290 -2.851 3.031 1.00 0.00 S ATOM 376 CE MET A 26 4.448 -2.738 1.250 1.00 0.00 C ATOM 0 H MET A 26 0.119 -3.751 5.285 1.00 0.00 H new ATOM 0 HA MET A 26 2.367 -1.909 4.847 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.684 -3.738 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.509 -2.385 2.389 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.898 -4.495 4.076 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.772 -4.564 2.329 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.926 -1.795 0.986 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.055 -3.567 0.885 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.459 -2.784 0.793 1.00 0.00 H new ATOM 386 N ILE A 27 1.009 0.135 4.595 1.00 0.00 N ATOM 387 CA ILE A 27 0.258 1.370 4.406 1.00 0.00 C ATOM 388 C ILE A 27 0.783 2.155 3.209 1.00 0.00 C ATOM 389 O ILE A 27 1.984 2.166 2.941 1.00 0.00 O ATOM 390 CB ILE A 27 0.319 2.263 5.659 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.177 1.493 6.885 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.504 3.525 5.451 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.246 2.112 8.199 1.00 0.00 C ATOM 0 H ILE A 27 1.945 0.265 4.979 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.778 1.085 4.224 1.00 0.00 H new ATOM 0 HB ILE A 27 1.356 2.553 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.265 1.437 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.197 0.470 6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.451 4.146 6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.110 4.080 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.542 3.255 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.141 1.514 9.024 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.334 2.144 8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.150 3.125 8.268 1.00 0.00 H new ATOM 405 N GLU A 28 -0.125 2.814 2.496 1.00 0.00 N ATOM 406 CA GLU A 28 0.247 3.604 1.328 1.00 0.00 C ATOM 407 C GLU A 28 -0.461 4.955 1.337 1.00 0.00 C ATOM 408 O GLU A 28 -1.687 5.027 1.245 1.00 0.00 O ATOM 409 CB GLU A 28 -0.092 2.846 0.043 1.00 0.00 C ATOM 410 CG GLU A 28 -1.518 2.321 0.004 1.00 0.00 C ATOM 411 CD GLU A 28 -2.062 2.216 -1.407 1.00 0.00 C ATOM 412 OE1 GLU A 28 -1.253 2.243 -2.358 1.00 0.00 O ATOM 413 OE2 GLU A 28 -3.297 2.108 -1.561 1.00 0.00 O ATOM 0 H GLU A 28 -1.123 2.817 2.707 1.00 0.00 H new ATOM 0 HA GLU A 28 1.323 3.777 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.067 3.505 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.598 2.009 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.553 1.340 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.160 2.980 0.589 1.00 0.00 H new ATOM 420 N PHE A 29 0.319 6.025 1.449 1.00 0.00 N ATOM 421 CA PHE A 29 -0.232 7.375 1.472 1.00 0.00 C ATOM 422 C PHE A 29 -0.387 7.923 0.056 1.00 0.00 C ATOM 423 O PHE A 29 0.600 8.218 -0.618 1.00 0.00 O ATOM 424 CB PHE A 29 0.666 8.301 2.295 1.00 0.00 C ATOM 425 CG PHE A 29 0.578 8.062 3.775 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.356 7.087 4.379 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.282 8.811 4.561 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.278 6.864 5.741 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.364 8.593 5.924 1.00 0.00 C ATOM 430 CZ PHE A 29 0.416 7.618 6.514 1.00 0.00 C ATOM 0 H PHE A 29 1.335 5.983 1.525 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.218 7.331 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.700 8.170 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.396 9.336 2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.031 6.495 3.779 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.895 9.574 4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.890 6.102 6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.037 9.185 6.527 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.352 7.445 7.578 1.00 0.00 H new ATOM 440 N TYR A 30 -1.632 8.055 -0.387 1.00 0.00 N ATOM 441 CA TYR A 30 -1.917 8.565 -1.723 1.00 0.00 C ATOM 442 C TYR A 30 -2.798 9.808 -1.656 1.00 0.00 C ATOM 443 O TYR A 30 -3.425 10.083 -0.633 1.00 0.00 O ATOM 444 CB TYR A 30 -2.599 7.488 -2.568 1.00 0.00 C ATOM 445 CG TYR A 30 -4.091 7.393 -2.338 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.972 8.228 -3.013 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.618 6.467 -1.446 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.336 8.145 -2.805 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.980 6.376 -1.233 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.835 7.218 -1.915 1.00 0.00 C ATOM 451 OH TYR A 30 -8.192 7.131 -1.706 1.00 0.00 O ATOM 0 H TYR A 30 -2.460 7.816 0.159 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.970 8.838 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.415 7.694 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.144 6.523 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.585 8.954 -3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.952 5.807 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.007 8.803 -3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.373 5.650 -0.537 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.369 7.029 -0.748 1.00 0.00 H new ATOM 461 N ALA A 31 -2.840 10.556 -2.753 1.00 0.00 N ATOM 462 CA ALA A 31 -3.646 11.769 -2.821 1.00 0.00 C ATOM 463 C ALA A 31 -4.244 11.954 -4.212 1.00 0.00 C ATOM 464 O ALA A 31 -3.582 11.753 -5.230 1.00 0.00 O ATOM 465 CB ALA A 31 -2.809 12.981 -2.439 1.00 0.00 C ATOM 0 H ALA A 31 -2.325 10.343 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.467 11.670 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.424 13.880 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.435 12.859 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.968 13.074 -3.126 1.00 0.00 H new ATOM 471 N PRO A 32 -5.526 12.345 -4.258 1.00 0.00 N ATOM 472 CA PRO A 32 -6.241 12.566 -5.519 1.00 0.00 C ATOM 473 C PRO A 32 -5.736 13.796 -6.264 1.00 0.00 C ATOM 474 O PRO A 32 -6.028 13.981 -7.446 1.00 0.00 O ATOM 475 CB PRO A 32 -7.691 12.768 -5.073 1.00 0.00 C ATOM 476 CG PRO A 32 -7.591 13.266 -3.672 1.00 0.00 C ATOM 477 CD PRO A 32 -6.376 12.604 -3.084 1.00 0.00 C ATOM 0 HA PRO A 32 -6.106 11.738 -6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.205 13.485 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.254 11.836 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.494 14.351 -3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.486 13.014 -3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.877 13.250 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.633 11.682 -2.563 1.00 0.00 H new ATOM 485 N TRP A 33 -4.977 14.635 -5.567 1.00 0.00 N ATOM 486 CA TRP A 33 -4.431 15.848 -6.165 1.00 0.00 C ATOM 487 C TRP A 33 -2.952 15.676 -6.490 1.00 0.00 C ATOM 488 O TRP A 33 -2.201 16.652 -6.543 1.00 0.00 O ATOM 489 CB TRP A 33 -4.625 17.037 -5.222 1.00 0.00 C ATOM 490 CG TRP A 33 -4.637 16.650 -3.774 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.729 16.559 -2.959 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.503 16.306 -2.969 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.343 16.178 -1.696 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.983 16.016 -1.677 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.131 16.212 -3.215 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.137 15.640 -0.636 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.293 15.840 -2.182 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.798 15.557 -0.905 1.00 0.00 C ATOM 0 H TRP A 33 -4.726 14.497 -4.588 1.00 0.00 H new ATOM 0 HA TRP A 33 -4.967 16.039 -7.094 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.827 17.760 -5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.563 17.535 -5.465 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.746 16.757 -3.262 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.968 16.039 -0.902 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.733 16.426 -4.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.524 15.422 0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.231 15.766 -2.361 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.117 15.268 -0.118 1.00 0.00 H new ATOM 509 N CYS A 34 -2.539 14.433 -6.707 1.00 0.00 N ATOM 510 CA CYS A 34 -1.147 14.134 -7.026 1.00 0.00 C ATOM 511 C CYS A 34 -1.056 13.110 -8.153 1.00 0.00 C ATOM 512 O CYS A 34 -1.735 12.083 -8.148 1.00 0.00 O ATOM 513 CB CYS A 34 -0.418 13.614 -5.787 1.00 0.00 C ATOM 514 SG CYS A 34 1.383 13.595 -5.944 1.00 0.00 S ATOM 0 H CYS A 34 -3.148 13.615 -6.668 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.670 15.056 -7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.691 14.232 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.764 12.603 -5.573 1.00 0.00 H new ATOM 0 HG CYS A 34 1.910 13.141 -4.845 1.00 0.00 H new ATOM 520 N PRO A 35 -0.198 13.395 -9.144 1.00 0.00 N ATOM 521 CA PRO A 35 0.002 12.511 -10.296 1.00 0.00 C ATOM 522 C PRO A 35 0.715 11.218 -9.918 1.00 0.00 C ATOM 523 O PRO A 35 0.253 10.125 -10.245 1.00 0.00 O ATOM 524 CB PRO A 35 0.873 13.347 -11.237 1.00 0.00 C ATOM 525 CG PRO A 35 1.591 14.299 -10.343 1.00 0.00 C ATOM 526 CD PRO A 35 0.644 14.601 -9.215 1.00 0.00 C ATOM 0 HA PRO A 35 -0.944 12.195 -10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.572 12.720 -11.791 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.267 13.875 -11.973 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.516 13.861 -9.969 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.863 15.209 -10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.176 14.775 -8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.051 15.494 -9.416 1.00 0.00 H new ATOM 534 N ALA A 36 1.843 11.349 -9.228 1.00 0.00 N ATOM 535 CA ALA A 36 2.619 10.190 -8.804 1.00 0.00 C ATOM 536 C ALA A 36 1.745 9.189 -8.055 1.00 0.00 C ATOM 537 O ALA A 36 1.779 7.990 -8.335 1.00 0.00 O ATOM 538 CB ALA A 36 3.788 10.627 -7.934 1.00 0.00 C ATOM 0 H ALA A 36 2.240 12.247 -8.951 1.00 0.00 H new ATOM 0 HA ALA A 36 3.008 9.698 -9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.359 9.751 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.433 11.298 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.411 11.145 -7.052 1.00 0.00 H new ATOM 544 N CYS A 37 0.965 9.689 -7.103 1.00 0.00 N ATOM 545 CA CYS A 37 0.083 8.837 -6.312 1.00 0.00 C ATOM 546 C CYS A 37 -0.836 8.020 -7.215 1.00 0.00 C ATOM 547 O CYS A 37 -1.122 6.856 -6.934 1.00 0.00 O ATOM 548 CB CYS A 37 -0.750 9.685 -5.349 1.00 0.00 C ATOM 549 SG CYS A 37 0.210 10.453 -4.023 1.00 0.00 S ATOM 0 H CYS A 37 0.925 10.679 -6.860 1.00 0.00 H new ATOM 0 HA CYS A 37 0.702 8.149 -5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.257 10.466 -5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.524 9.058 -4.906 1.00 0.00 H new ATOM 0 HG CYS A 37 0.742 11.557 -4.456 1.00 0.00 H new ATOM 555 N GLN A 38 -1.296 8.638 -8.298 1.00 0.00 N ATOM 556 CA GLN A 38 -2.184 7.968 -9.240 1.00 0.00 C ATOM 557 C GLN A 38 -1.485 6.785 -9.901 1.00 0.00 C ATOM 558 O GLN A 38 -2.133 5.854 -10.376 1.00 0.00 O ATOM 559 CB GLN A 38 -2.668 8.952 -10.306 1.00 0.00 C ATOM 560 CG GLN A 38 -3.402 10.155 -9.736 1.00 0.00 C ATOM 561 CD GLN A 38 -3.241 11.396 -10.591 1.00 0.00 C ATOM 562 OE1 GLN A 38 -2.900 11.311 -11.772 1.00 0.00 O ATOM 563 NE2 GLN A 38 -3.487 12.559 -9.999 1.00 0.00 N ATOM 0 H GLN A 38 -1.068 9.601 -8.545 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.044 7.593 -8.685 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.811 9.300 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.328 8.429 -10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.462 9.918 -9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.031 10.360 -8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.767 12.583 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.396 13.428 -10.525 1.00 0.00 H new ATOM 572 N ASN A 39 -0.156 6.830 -9.930 1.00 0.00 N ATOM 573 CA ASN A 39 0.632 5.763 -10.534 1.00 0.00 C ATOM 574 C ASN A 39 0.713 4.554 -9.607 1.00 0.00 C ATOM 575 O ASN A 39 0.872 3.420 -10.060 1.00 0.00 O ATOM 576 CB ASN A 39 2.040 6.264 -10.863 1.00 0.00 C ATOM 577 CG ASN A 39 2.640 5.557 -12.063 1.00 0.00 C ATOM 578 OD1 ASN A 39 2.474 4.349 -12.233 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.341 6.309 -12.903 1.00 0.00 N ATOM 0 H ASN A 39 0.397 7.594 -9.542 1.00 0.00 H new ATOM 0 HA ASN A 39 0.138 5.458 -11.456 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.005 7.336 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.686 6.117 -9.998 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.768 5.889 -13.729 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.453 7.307 -12.723 1.00 0.00 H new ATOM 586 N LEU A 40 0.602 4.805 -8.307 1.00 0.00 N ATOM 587 CA LEU A 40 0.662 3.737 -7.314 1.00 0.00 C ATOM 588 C LEU A 40 -0.722 3.148 -7.064 1.00 0.00 C ATOM 589 O LEU A 40 -0.851 1.988 -6.672 1.00 0.00 O ATOM 590 CB LEU A 40 1.249 4.265 -6.004 1.00 0.00 C ATOM 591 CG LEU A 40 1.406 3.242 -4.879 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.536 2.273 -5.192 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.655 3.943 -3.551 1.00 0.00 C ATOM 0 H LEU A 40 0.470 5.738 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 40 1.307 2.949 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.228 4.696 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.614 5.075 -5.645 1.00 0.00 H new ATOM 0 HG LEU A 40 0.479 2.674 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.633 1.552 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.317 1.746 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.469 2.825 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.764 3.199 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.566 4.537 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.813 4.596 -3.320 1.00 0.00 H new ATOM 605 N GLN A 41 -1.753 3.953 -7.296 1.00 0.00 N ATOM 606 CA GLN A 41 -3.128 3.510 -7.097 1.00 0.00 C ATOM 607 C GLN A 41 -3.333 2.105 -7.654 1.00 0.00 C ATOM 608 O GLN A 41 -3.787 1.196 -6.959 1.00 0.00 O ATOM 609 CB GLN A 41 -4.102 4.483 -7.764 1.00 0.00 C ATOM 610 CG GLN A 41 -4.487 5.659 -6.882 1.00 0.00 C ATOM 611 CD GLN A 41 -4.955 5.228 -5.506 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.016 5.095 -4.576 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.147 5.016 -5.280 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.663 4.915 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.324 3.489 -6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.653 4.860 -8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.005 3.942 -8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.631 6.326 -6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.278 6.229 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.835 5.130 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.446 4.726 -4.349 1.00 0.00 H new ATOM 622 N PRO A 42 -2.992 1.922 -8.938 1.00 0.00 N ATOM 623 CA PRO A 42 -3.130 0.630 -9.617 1.00 0.00 C ATOM 624 C PRO A 42 -2.134 -0.405 -9.102 1.00 0.00 C ATOM 625 O PRO A 42 -2.502 -1.543 -8.813 1.00 0.00 O ATOM 626 CB PRO A 42 -2.842 0.966 -11.082 1.00 0.00 C ATOM 627 CG PRO A 42 -1.986 2.185 -11.030 1.00 0.00 C ATOM 628 CD PRO A 42 -2.445 2.961 -9.826 1.00 0.00 C ATOM 0 HA PRO A 42 -4.112 0.186 -9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.331 0.144 -11.583 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.763 1.152 -11.634 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.932 1.919 -10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.093 2.776 -11.940 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.621 3.498 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.199 3.702 -10.089 1.00 0.00 H new ATOM 636 N GLU A 43 -0.873 0.000 -8.990 1.00 0.00 N ATOM 637 CA GLU A 43 0.175 -0.894 -8.510 1.00 0.00 C ATOM 638 C GLU A 43 -0.225 -1.541 -7.187 1.00 0.00 C ATOM 639 O GLU A 43 -0.008 -2.734 -6.977 1.00 0.00 O ATOM 640 CB GLU A 43 1.490 -0.129 -8.340 1.00 0.00 C ATOM 641 CG GLU A 43 2.370 -0.148 -9.578 1.00 0.00 C ATOM 642 CD GLU A 43 3.414 0.951 -9.568 1.00 0.00 C ATOM 643 OE1 GLU A 43 3.227 1.942 -8.832 1.00 0.00 O ATOM 644 OE2 GLU A 43 4.420 0.819 -10.297 1.00 0.00 O ATOM 0 H GLU A 43 -0.552 0.939 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 43 0.314 -1.681 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.267 0.906 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.044 -0.557 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.867 -1.115 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.745 -0.043 -10.465 1.00 0.00 H new ATOM 651 N TRP A 44 -0.809 -0.744 -6.299 1.00 0.00 N ATOM 652 CA TRP A 44 -1.239 -1.239 -4.996 1.00 0.00 C ATOM 653 C TRP A 44 -2.276 -2.345 -5.149 1.00 0.00 C ATOM 654 O TRP A 44 -2.097 -3.451 -4.639 1.00 0.00 O ATOM 655 CB TRP A 44 -1.814 -0.095 -4.159 1.00 0.00 C ATOM 656 CG TRP A 44 -1.735 -0.342 -2.682 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.781 -0.412 -1.806 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.548 -0.550 -1.911 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.314 -0.651 -0.536 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.948 -0.740 -0.573 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.815 -0.596 -2.219 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.033 -0.971 0.451 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.721 -0.825 -1.201 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.294 -1.011 0.120 1.00 0.00 C ATOM 0 H TRP A 44 -0.995 0.246 -6.457 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.369 -1.652 -4.486 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.278 0.824 -4.396 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.856 0.063 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.821 -0.297 -2.072 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.891 -0.747 0.299 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.154 -0.455 -3.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.359 -1.114 1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.776 -0.861 -1.428 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.027 -1.190 0.893 1.00 0.00 H new ATOM 675 N GLU A 45 -3.361 -2.041 -5.855 1.00 0.00 N ATOM 676 CA GLU A 45 -4.427 -3.012 -6.073 1.00 0.00 C ATOM 677 C GLU A 45 -3.855 -4.362 -6.494 1.00 0.00 C ATOM 678 O GLU A 45 -4.169 -5.394 -5.901 1.00 0.00 O ATOM 679 CB GLU A 45 -5.400 -2.503 -7.139 1.00 0.00 C ATOM 680 CG GLU A 45 -6.497 -1.609 -6.585 1.00 0.00 C ATOM 681 CD GLU A 45 -7.694 -1.513 -7.511 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.487 -1.363 -8.733 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.837 -1.586 -7.013 1.00 0.00 O ATOM 0 H GLU A 45 -3.525 -1.131 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.964 -3.142 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.841 -1.952 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.857 -3.357 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.820 -1.994 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.095 -0.611 -6.413 1.00 0.00 H new ATOM 690 N SER A 46 -3.013 -4.347 -7.523 1.00 0.00 N ATOM 691 CA SER A 46 -2.400 -5.570 -8.028 1.00 0.00 C ATOM 692 C SER A 46 -1.548 -6.235 -6.951 1.00 0.00 C ATOM 693 O SER A 46 -1.395 -7.456 -6.930 1.00 0.00 O ATOM 694 CB SER A 46 -1.543 -5.266 -9.257 1.00 0.00 C ATOM 695 OG SER A 46 -2.347 -4.878 -10.357 1.00 0.00 O ATOM 0 H SER A 46 -2.740 -3.501 -8.023 1.00 0.00 H new ATOM 0 HA SER A 46 -3.197 -6.257 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.835 -4.472 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.958 -6.146 -9.523 1.00 0.00 H new ATOM 0 HG SER A 46 -1.775 -4.688 -11.129 1.00 0.00 H new ATOM 701 N PHE A 47 -0.996 -5.421 -6.057 1.00 0.00 N ATOM 702 CA PHE A 47 -0.158 -5.929 -4.976 1.00 0.00 C ATOM 703 C PHE A 47 -1.001 -6.640 -3.922 1.00 0.00 C ATOM 704 O PHE A 47 -0.799 -7.821 -3.643 1.00 0.00 O ATOM 705 CB PHE A 47 0.627 -4.785 -4.331 1.00 0.00 C ATOM 706 CG PHE A 47 0.969 -5.031 -2.890 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.246 -6.311 -2.438 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.014 -3.982 -1.986 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.561 -6.541 -1.112 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.329 -4.205 -0.659 1.00 0.00 C ATOM 711 CZ PHE A 47 1.601 -5.487 -0.221 1.00 0.00 C ATOM 0 H PHE A 47 -1.114 -4.408 -6.059 1.00 0.00 H new ATOM 0 HA PHE A 47 0.543 -6.648 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.547 -4.625 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.044 -3.867 -4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.215 -7.139 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.800 -2.978 -2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.776 -7.544 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.363 -3.378 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.844 -5.664 0.816 1.00 0.00 H new ATOM 721 N ALA A 48 -1.947 -5.911 -3.339 1.00 0.00 N ATOM 722 CA ALA A 48 -2.823 -6.471 -2.317 1.00 0.00 C ATOM 723 C ALA A 48 -3.325 -7.852 -2.721 1.00 0.00 C ATOM 724 O ALA A 48 -3.634 -8.684 -1.869 1.00 0.00 O ATOM 725 CB ALA A 48 -3.995 -5.536 -2.056 1.00 0.00 C ATOM 0 H ALA A 48 -2.126 -4.931 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.246 -6.578 -1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.641 -5.967 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.621 -4.571 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.564 -5.400 -2.976 1.00 0.00 H new ATOM 731 N GLU A 49 -3.405 -8.089 -4.027 1.00 0.00 N ATOM 732 CA GLU A 49 -3.872 -9.371 -4.543 1.00 0.00 C ATOM 733 C GLU A 49 -3.140 -10.528 -3.869 1.00 0.00 C ATOM 734 O GLU A 49 -3.755 -11.366 -3.210 1.00 0.00 O ATOM 735 CB GLU A 49 -3.671 -9.439 -6.058 1.00 0.00 C ATOM 736 CG GLU A 49 -4.581 -8.502 -6.836 1.00 0.00 C ATOM 737 CD GLU A 49 -4.283 -8.501 -8.322 1.00 0.00 C ATOM 738 OE1 GLU A 49 -3.091 -8.569 -8.688 1.00 0.00 O ATOM 739 OE2 GLU A 49 -5.242 -8.430 -9.120 1.00 0.00 O ATOM 0 H GLU A 49 -3.153 -7.411 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.935 -9.458 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.633 -9.199 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.844 -10.462 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.619 -8.795 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.472 -7.490 -6.447 1.00 0.00 H new ATOM 746 N TRP A 50 -1.823 -10.567 -4.041 1.00 0.00 N ATOM 747 CA TRP A 50 -1.007 -11.621 -3.450 1.00 0.00 C ATOM 748 C TRP A 50 -0.550 -11.235 -2.048 1.00 0.00 C ATOM 749 O TRP A 50 0.053 -12.039 -1.338 1.00 0.00 O ATOM 750 CB TRP A 50 0.208 -11.909 -4.334 1.00 0.00 C ATOM 751 CG TRP A 50 0.993 -10.682 -4.683 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.050 -10.063 -5.899 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.835 -9.925 -3.806 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.877 -8.967 -5.830 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.370 -8.861 -4.557 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.188 -10.043 -2.459 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.239 -7.923 -4.005 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.050 -9.111 -1.912 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.567 -8.062 -2.684 1.00 0.00 C ATOM 0 H TRP A 50 -1.298 -9.882 -4.584 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.617 -12.521 -3.378 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.861 -12.616 -3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.126 -12.391 -5.253 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.523 -10.387 -6.784 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.089 -8.335 -6.602 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.794 -10.848 -1.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.640 -7.115 -4.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.330 -9.193 -0.872 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.238 -7.349 -2.227 1.00 0.00 H new ATOM 770 N GLY A 51 -0.843 -9.999 -1.654 1.00 0.00 N ATOM 771 CA GLY A 51 -0.455 -9.529 -0.337 1.00 0.00 C ATOM 772 C GLY A 51 -0.821 -10.510 0.760 1.00 0.00 C ATOM 773 O GLY A 51 0.051 -11.162 1.333 1.00 0.00 O ATOM 0 H GLY A 51 -1.342 -9.315 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.621 -9.354 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.937 -8.572 -0.140 1.00 0.00 H new ATOM 777 N GLU A 52 -2.113 -10.612 1.053 1.00 0.00 N ATOM 778 CA GLU A 52 -2.591 -11.518 2.091 1.00 0.00 C ATOM 779 C GLU A 52 -2.014 -12.917 1.899 1.00 0.00 C ATOM 780 O GLU A 52 -1.792 -13.647 2.866 1.00 0.00 O ATOM 781 CB GLU A 52 -4.120 -11.579 2.081 1.00 0.00 C ATOM 782 CG GLU A 52 -4.690 -12.365 0.912 1.00 0.00 C ATOM 783 CD GLU A 52 -6.154 -12.058 0.661 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.988 -12.400 1.526 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.465 -11.477 -0.399 1.00 0.00 O ATOM 0 H GLU A 52 -2.847 -10.079 0.587 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.256 -11.135 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.463 -12.029 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.516 -10.564 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.116 -12.140 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.574 -13.431 1.105 1.00 0.00 H new ATOM 792 N ASP A 53 -1.773 -13.285 0.645 1.00 0.00 N ATOM 793 CA ASP A 53 -1.222 -14.596 0.325 1.00 0.00 C ATOM 794 C ASP A 53 0.168 -14.764 0.933 1.00 0.00 C ATOM 795 O ASP A 53 0.532 -15.851 1.384 1.00 0.00 O ATOM 796 CB ASP A 53 -1.156 -14.790 -1.190 1.00 0.00 C ATOM 797 CG ASP A 53 -2.352 -15.550 -1.729 1.00 0.00 C ATOM 798 OD1 ASP A 53 -3.429 -14.934 -1.875 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.212 -16.760 -2.005 1.00 0.00 O ATOM 0 H ASP A 53 -1.951 -12.693 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.880 -15.353 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.099 -13.816 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.243 -15.327 -1.445 1.00 0.00 H new ATOM 804 N LEU A 54 0.939 -13.683 0.940 1.00 0.00 N ATOM 805 CA LEU A 54 2.290 -13.710 1.491 1.00 0.00 C ATOM 806 C LEU A 54 2.274 -13.408 2.986 1.00 0.00 C ATOM 807 O LEU A 54 3.293 -13.030 3.563 1.00 0.00 O ATOM 808 CB LEU A 54 3.179 -12.699 0.764 1.00 0.00 C ATOM 809 CG LEU A 54 3.368 -12.928 -0.736 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.252 -11.845 -1.334 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.962 -14.306 -0.994 1.00 0.00 C ATOM 0 H LEU A 54 0.652 -12.776 0.571 1.00 0.00 H new ATOM 0 HA LEU A 54 2.695 -14.711 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.757 -11.704 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.160 -12.701 1.238 1.00 0.00 H new ATOM 0 HG LEU A 54 2.391 -12.878 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.375 -12.025 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.788 -10.871 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.228 -11.862 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.090 -14.452 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.930 -14.383 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.292 -15.071 -0.601 1.00 0.00 H new ATOM 823 N GLU A 55 1.111 -13.580 3.607 1.00 0.00 N ATOM 824 CA GLU A 55 0.964 -13.327 5.035 1.00 0.00 C ATOM 825 C GLU A 55 1.277 -11.871 5.365 1.00 0.00 C ATOM 826 O GLU A 55 2.124 -11.582 6.210 1.00 0.00 O ATOM 827 CB GLU A 55 1.884 -14.252 5.837 1.00 0.00 C ATOM 828 CG GLU A 55 1.619 -14.226 7.333 1.00 0.00 C ATOM 829 CD GLU A 55 2.850 -14.569 8.149 1.00 0.00 C ATOM 830 OE1 GLU A 55 3.901 -13.930 7.936 1.00 0.00 O ATOM 831 OE2 GLU A 55 2.761 -15.477 9.002 1.00 0.00 O ATOM 0 H GLU A 55 0.258 -13.893 3.144 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.072 -13.529 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.766 -15.273 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.920 -13.967 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.263 -13.236 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.823 -14.932 7.570 1.00 0.00 H new ATOM 838 N VAL A 56 0.587 -10.956 4.691 1.00 0.00 N ATOM 839 CA VAL A 56 0.789 -9.529 4.911 1.00 0.00 C ATOM 840 C VAL A 56 -0.476 -8.740 4.596 1.00 0.00 C ATOM 841 O VAL A 56 -1.102 -8.939 3.556 1.00 0.00 O ATOM 842 CB VAL A 56 1.947 -8.987 4.052 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.443 -8.573 2.677 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.629 -7.822 4.752 1.00 0.00 C ATOM 0 H VAL A 56 -0.117 -11.178 3.987 1.00 0.00 H new ATOM 0 HA VAL A 56 1.039 -9.403 5.965 1.00 0.00 H new ATOM 0 HB VAL A 56 2.681 -9.781 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.275 -8.193 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.004 -9.436 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.688 -7.794 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.445 -7.451 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.906 -7.023 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.026 -8.155 5.711 1.00 0.00 H new ATOM 854 N ASN A 57 -0.847 -7.841 5.503 1.00 0.00 N ATOM 855 CA ASN A 57 -2.039 -7.020 5.322 1.00 0.00 C ATOM 856 C ASN A 57 -1.711 -5.748 4.546 1.00 0.00 C ATOM 857 O ASN A 57 -0.605 -5.216 4.645 1.00 0.00 O ATOM 858 CB ASN A 57 -2.647 -6.660 6.679 1.00 0.00 C ATOM 859 CG ASN A 57 -2.979 -7.887 7.507 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.818 -8.701 7.121 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.321 -8.023 8.652 1.00 0.00 N ATOM 0 H ASN A 57 -0.340 -7.663 6.370 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.764 -7.598 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.949 -6.030 7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.553 -6.073 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.503 -8.828 9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.634 -7.323 8.932 1.00 0.00 H new ATOM 868 N ILE A 58 -2.679 -5.266 3.773 1.00 0.00 N ATOM 869 CA ILE A 58 -2.493 -4.057 2.982 1.00 0.00 C ATOM 870 C ILE A 58 -3.636 -3.072 3.207 1.00 0.00 C ATOM 871 O ILE A 58 -4.806 -3.455 3.218 1.00 0.00 O ATOM 872 CB ILE A 58 -2.394 -4.377 1.479 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.263 -5.374 1.221 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.176 -3.101 0.679 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.674 -6.817 1.412 1.00 0.00 C ATOM 0 H ILE A 58 -3.600 -5.695 3.678 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.557 -3.605 3.311 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.332 -4.829 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.897 -5.241 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.432 -5.150 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.108 -3.344 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.012 -2.421 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.251 -2.623 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.822 -7.467 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.012 -6.966 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.484 -7.059 0.724 1.00 0.00 H new ATOM 887 N ALA A 59 -3.289 -1.802 3.383 1.00 0.00 N ATOM 888 CA ALA A 59 -4.286 -0.761 3.603 1.00 0.00 C ATOM 889 C ALA A 59 -3.951 0.497 2.809 1.00 0.00 C ATOM 890 O ALA A 59 -2.952 0.543 2.092 1.00 0.00 O ATOM 891 CB ALA A 59 -4.394 -0.439 5.086 1.00 0.00 C ATOM 0 H ALA A 59 -2.325 -1.469 3.378 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.248 -1.134 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.142 0.340 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.689 -1.335 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.429 -0.091 5.454 1.00 0.00 H new ATOM 897 N LYS A 60 -4.793 1.517 2.942 1.00 0.00 N ATOM 898 CA LYS A 60 -4.586 2.777 2.238 1.00 0.00 C ATOM 899 C LYS A 60 -5.082 3.954 3.072 1.00 0.00 C ATOM 900 O LYS A 60 -6.148 3.888 3.684 1.00 0.00 O ATOM 901 CB LYS A 60 -5.307 2.755 0.888 1.00 0.00 C ATOM 902 CG LYS A 60 -6.811 2.935 0.999 1.00 0.00 C ATOM 903 CD LYS A 60 -7.515 2.558 -0.294 1.00 0.00 C ATOM 904 CE LYS A 60 -9.017 2.775 -0.194 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.399 4.173 -0.538 1.00 0.00 N ATOM 0 H LYS A 60 -5.625 1.495 3.531 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.516 2.899 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.901 3.544 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.099 1.808 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.193 2.321 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.037 3.972 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.114 3.153 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.312 1.513 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.529 2.083 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.351 2.546 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.430 4.281 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.930 4.832 0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.104 4.384 -1.513 1.00 0.00 H new ATOM 919 N VAL A 61 -4.302 5.030 3.091 1.00 0.00 N ATOM 920 CA VAL A 61 -4.663 6.223 3.848 1.00 0.00 C ATOM 921 C VAL A 61 -5.028 7.374 2.917 1.00 0.00 C ATOM 922 O VAL A 61 -4.340 7.628 1.928 1.00 0.00 O ATOM 923 CB VAL A 61 -3.517 6.668 4.774 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.870 7.973 5.472 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.198 5.581 5.789 1.00 0.00 C ATOM 0 H VAL A 61 -3.416 5.100 2.591 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.530 5.963 4.456 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.628 6.837 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.048 8.272 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.043 8.749 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.772 7.834 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.385 5.914 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.082 5.377 6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.898 4.672 5.267 1.00 0.00 H new ATOM 935 N ASP A 62 -6.112 8.069 3.242 1.00 0.00 N ATOM 936 CA ASP A 62 -6.568 9.196 2.436 1.00 0.00 C ATOM 937 C ASP A 62 -6.215 10.520 3.106 1.00 0.00 C ATOM 938 O ASP A 62 -7.056 11.146 3.750 1.00 0.00 O ATOM 939 CB ASP A 62 -8.078 9.111 2.210 1.00 0.00 C ATOM 940 CG ASP A 62 -8.509 7.758 1.680 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.684 7.086 1.027 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.672 7.371 1.919 1.00 0.00 O ATOM 0 H ASP A 62 -6.692 7.872 4.058 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.062 9.151 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.595 9.312 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.381 9.887 1.507 1.00 0.00 H new ATOM 947 N VAL A 63 -4.964 10.942 2.949 1.00 0.00 N ATOM 948 CA VAL A 63 -4.499 12.192 3.538 1.00 0.00 C ATOM 949 C VAL A 63 -5.576 13.268 3.466 1.00 0.00 C ATOM 950 O VAL A 63 -5.607 14.189 4.283 1.00 0.00 O ATOM 951 CB VAL A 63 -3.228 12.705 2.835 1.00 0.00 C ATOM 952 CG1 VAL A 63 -2.117 11.670 2.918 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.528 13.062 1.387 1.00 0.00 C ATOM 0 H VAL A 63 -4.255 10.436 2.419 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.268 11.983 4.583 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.890 13.607 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.227 12.050 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.885 11.468 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.441 10.749 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.619 13.423 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.891 12.178 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.289 13.841 1.355 1.00 0.00 H new ATOM 963 N THR A 64 -6.461 13.146 2.481 1.00 0.00 N ATOM 964 CA THR A 64 -7.541 14.108 2.301 1.00 0.00 C ATOM 965 C THR A 64 -8.578 13.986 3.411 1.00 0.00 C ATOM 966 O THR A 64 -8.974 14.982 4.015 1.00 0.00 O ATOM 967 CB THR A 64 -8.239 13.921 0.940 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.910 12.657 0.903 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.233 14.000 -0.199 1.00 0.00 C ATOM 0 H THR A 64 -6.451 12.390 1.796 1.00 0.00 H new ATOM 0 HA THR A 64 -7.089 15.099 2.337 1.00 0.00 H new ATOM 0 HB THR A 64 -8.968 14.722 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.352 12.547 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.749 13.865 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.744 14.974 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.484 13.217 -0.078 1.00 0.00 H new ATOM 977 N GLU A 65 -9.013 12.758 3.676 1.00 0.00 N ATOM 978 CA GLU A 65 -10.005 12.507 4.715 1.00 0.00 C ATOM 979 C GLU A 65 -9.350 12.466 6.093 1.00 0.00 C ATOM 980 O GLU A 65 -9.903 12.973 7.069 1.00 0.00 O ATOM 981 CB GLU A 65 -10.735 11.189 4.446 1.00 0.00 C ATOM 982 CG GLU A 65 -11.580 11.209 3.184 1.00 0.00 C ATOM 983 CD GLU A 65 -12.685 12.246 3.237 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.394 13.435 2.992 1.00 0.00 O ATOM 985 OE2 GLU A 65 -13.841 11.868 3.523 1.00 0.00 O ATOM 0 H GLU A 65 -8.694 11.922 3.186 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.727 13.324 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.002 10.386 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.374 10.957 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.939 11.410 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.019 10.223 3.030 1.00 0.00 H new ATOM 992 N GLN A 66 -8.170 11.858 6.164 1.00 0.00 N ATOM 993 CA GLN A 66 -7.441 11.750 7.422 1.00 0.00 C ATOM 994 C GLN A 66 -6.232 12.678 7.432 1.00 0.00 C ATOM 995 O GLN A 66 -5.107 12.275 7.134 1.00 0.00 O ATOM 996 CB GLN A 66 -6.993 10.306 7.653 1.00 0.00 C ATOM 997 CG GLN A 66 -8.125 9.295 7.560 1.00 0.00 C ATOM 998 CD GLN A 66 -8.944 9.217 8.832 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.414 9.352 9.936 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.246 9.000 8.686 1.00 0.00 N ATOM 0 H GLN A 66 -7.699 11.433 5.365 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.111 12.049 8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.228 10.050 6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.530 10.231 8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.777 9.561 6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.711 8.311 7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.644 8.894 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.848 8.939 9.507 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.465 13.952 7.781 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.406 14.964 7.838 1.00 0.00 C ATOM 1011 C PRO A 67 -4.436 14.723 8.989 1.00 0.00 C ATOM 1012 O PRO A 67 -3.294 15.181 8.958 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.175 16.270 8.052 1.00 0.00 C ATOM 1014 CG PRO A 67 -7.448 15.858 8.707 1.00 0.00 C ATOM 1015 CD PRO A 67 -7.781 14.502 8.149 1.00 0.00 C ATOM 0 HA PRO A 67 -4.788 14.959 6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.613 16.962 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.363 16.778 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.334 15.817 9.790 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.244 16.573 8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.286 13.877 8.886 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.442 14.574 7.285 1.00 0.00 H new ATOM 1023 N GLY A 68 -4.897 14.001 10.006 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.056 13.712 11.153 1.00 0.00 C ATOM 1025 C GLY A 68 -3.026 12.638 10.861 1.00 0.00 C ATOM 1026 O GLY A 68 -1.823 12.870 10.988 1.00 0.00 O ATOM 0 H GLY A 68 -5.838 13.611 10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.547 14.624 11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.681 13.394 11.987 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.498 11.460 10.469 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.609 10.345 10.160 1.00 0.00 C ATOM 1032 C LEU A 69 -1.358 10.831 9.435 1.00 0.00 C ATOM 1033 O LEU A 69 -0.274 10.273 9.605 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.338 9.308 9.303 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.146 8.256 10.065 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.981 7.425 9.103 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.223 7.364 10.881 1.00 0.00 C ATOM 0 H LEU A 69 -4.490 11.252 10.358 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.306 9.883 11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.011 9.834 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.602 8.794 8.685 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.821 8.769 10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.549 6.682 9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.668 8.076 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.325 6.921 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.815 6.621 11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.523 6.859 10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.669 7.971 11.597 1.00 0.00 H new ATOM 1049 N SER A 70 -1.516 11.874 8.627 1.00 0.00 N ATOM 1050 CA SER A 70 -0.400 12.435 7.874 1.00 0.00 C ATOM 1051 C SER A 70 0.708 12.902 8.814 1.00 0.00 C ATOM 1052 O SER A 70 1.873 12.547 8.643 1.00 0.00 O ATOM 1053 CB SER A 70 -0.876 13.602 7.008 1.00 0.00 C ATOM 1054 OG SER A 70 0.173 14.093 6.191 1.00 0.00 O ATOM 0 H SER A 70 -2.406 12.348 8.477 1.00 0.00 H new ATOM 0 HA SER A 70 0.000 11.654 7.228 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.708 13.279 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.250 14.403 7.646 1.00 0.00 H new ATOM 0 HG SER A 70 -0.158 14.837 5.646 1.00 0.00 H new ATOM 1060 N GLY A 71 0.334 13.703 9.807 1.00 0.00 N ATOM 1061 CA GLY A 71 1.306 14.207 10.759 1.00 0.00 C ATOM 1062 C GLY A 71 1.869 13.115 11.647 1.00 0.00 C ATOM 1063 O GLY A 71 3.074 13.065 11.893 1.00 0.00 O ATOM 0 H GLY A 71 -0.625 14.012 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.122 14.689 10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.839 14.971 11.380 1.00 0.00 H new ATOM 1067 N ARG A 72 0.995 12.237 12.129 1.00 0.00 N ATOM 1068 CA ARG A 72 1.411 11.142 12.997 1.00 0.00 C ATOM 1069 C ARG A 72 2.476 10.285 12.318 1.00 0.00 C ATOM 1070 O ARG A 72 3.124 9.459 12.960 1.00 0.00 O ATOM 1071 CB ARG A 72 0.208 10.276 13.374 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.756 10.957 14.332 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.547 9.941 15.141 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.709 9.444 14.410 1.00 0.00 N ATOM 1075 CZ ARG A 72 -3.376 8.346 14.749 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -2.997 7.635 15.801 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -4.424 7.958 14.033 1.00 0.00 N ATOM 0 H ARG A 72 -0.006 12.263 11.933 1.00 0.00 H new ATOM 0 HA ARG A 72 1.838 11.572 13.903 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.329 10.000 12.467 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.565 9.351 13.827 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.201 11.608 15.007 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.442 11.591 13.770 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.900 9.105 15.405 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.874 10.397 16.075 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.026 9.968 13.595 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.191 7.930 16.353 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.511 6.793 16.059 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.718 8.503 13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.936 7.115 14.294 1.00 0.00 H new ATOM 1091 N PHE A 73 2.650 10.488 11.016 1.00 0.00 N ATOM 1092 CA PHE A 73 3.634 9.733 10.250 1.00 0.00 C ATOM 1093 C PHE A 73 4.637 10.669 9.582 1.00 0.00 C ATOM 1094 O PHE A 73 5.617 10.222 8.986 1.00 0.00 O ATOM 1095 CB PHE A 73 2.938 8.874 9.192 1.00 0.00 C ATOM 1096 CG PHE A 73 2.389 7.585 9.734 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.169 7.558 10.390 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.093 6.401 9.586 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.662 6.373 10.889 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.591 5.213 10.083 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.373 5.199 10.735 1.00 0.00 C ATOM 0 H PHE A 73 2.122 11.169 10.470 1.00 0.00 H new ATOM 0 HA PHE A 73 4.173 9.083 10.939 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.125 9.448 8.747 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.645 8.651 8.393 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.608 8.473 10.513 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.045 6.406 9.076 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.290 6.365 11.399 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.150 4.297 9.962 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.978 4.272 11.123 1.00 0.00 H new ATOM 1111 N ILE A 74 4.384 11.969 9.685 1.00 0.00 N ATOM 1112 CA ILE A 74 5.264 12.968 9.092 1.00 0.00 C ATOM 1113 C ILE A 74 5.380 12.772 7.584 1.00 0.00 C ATOM 1114 O ILE A 74 6.481 12.647 7.047 1.00 0.00 O ATOM 1115 CB ILE A 74 6.671 12.920 9.714 1.00 0.00 C ATOM 1116 CG1 ILE A 74 6.575 12.817 11.238 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.472 14.148 9.310 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.506 11.393 11.744 1.00 0.00 C ATOM 0 H ILE A 74 3.576 12.355 10.174 1.00 0.00 H new ATOM 0 HA ILE A 74 4.819 13.942 9.297 1.00 0.00 H new ATOM 0 HB ILE A 74 7.187 12.036 9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.439 13.311 11.683 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.691 13.357 11.576 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.464 14.099 9.758 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.565 14.181 8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.961 15.046 9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.440 11.396 12.832 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.627 10.901 11.328 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.402 10.854 11.437 1.00 0.00 H new ATOM 1130 N ILE A 75 4.237 12.748 6.906 1.00 0.00 N ATOM 1131 CA ILE A 75 4.212 12.571 5.459 1.00 0.00 C ATOM 1132 C ILE A 75 4.420 13.898 4.739 1.00 0.00 C ATOM 1133 O ILE A 75 3.506 14.716 4.646 1.00 0.00 O ATOM 1134 CB ILE A 75 2.882 11.949 4.992 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.672 10.585 5.653 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.862 11.819 3.477 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.928 9.745 5.716 1.00 0.00 C ATOM 0 H ILE A 75 3.317 12.849 7.335 1.00 0.00 H new ATOM 0 HA ILE A 75 5.029 11.894 5.209 1.00 0.00 H new ATOM 0 HB ILE A 75 2.065 12.606 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.293 10.735 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.906 10.038 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.916 11.378 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.971 12.805 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.685 11.180 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.705 8.792 6.197 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.296 9.564 4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.690 10.272 6.291 1.00 0.00 H new ATOM 1149 N ASN A 76 5.630 14.104 4.228 1.00 0.00 N ATOM 1150 CA ASN A 76 5.959 15.332 3.513 1.00 0.00 C ATOM 1151 C ASN A 76 5.840 15.133 2.005 1.00 0.00 C ATOM 1152 O ASN A 76 5.307 15.985 1.296 1.00 0.00 O ATOM 1153 CB ASN A 76 7.375 15.790 3.869 1.00 0.00 C ATOM 1154 CG ASN A 76 8.357 14.636 3.932 1.00 0.00 C ATOM 1155 OD1 ASN A 76 8.601 13.959 2.934 1.00 0.00 O ATOM 1156 ND2 ASN A 76 8.925 14.408 5.110 1.00 0.00 N ATOM 0 H ASN A 76 6.398 13.437 4.296 1.00 0.00 H new ATOM 0 HA ASN A 76 5.249 16.101 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.716 16.514 3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.357 16.302 4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.594 13.645 5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.692 14.996 5.911 1.00 0.00 H new ATOM 1163 N ALA A 77 6.341 14.000 1.523 1.00 0.00 N ATOM 1164 CA ALA A 77 6.290 13.687 0.100 1.00 0.00 C ATOM 1165 C ALA A 77 5.322 12.541 -0.175 1.00 0.00 C ATOM 1166 O ALA A 77 5.096 11.686 0.683 1.00 0.00 O ATOM 1167 CB ALA A 77 7.679 13.343 -0.415 1.00 0.00 C ATOM 0 H ALA A 77 6.787 13.284 2.097 1.00 0.00 H new ATOM 0 HA ALA A 77 5.928 14.569 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.626 13.111 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.345 14.192 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.064 12.478 0.126 1.00 0.00 H new ATOM 1173 N LEU A 78 4.753 12.529 -1.375 1.00 0.00 N ATOM 1174 CA LEU A 78 3.808 11.487 -1.763 1.00 0.00 C ATOM 1175 C LEU A 78 3.973 11.124 -3.236 1.00 0.00 C ATOM 1176 O LEU A 78 4.394 11.938 -4.058 1.00 0.00 O ATOM 1177 CB LEU A 78 2.374 11.947 -1.497 1.00 0.00 C ATOM 1178 CG LEU A 78 2.015 12.212 -0.034 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.953 13.296 0.067 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.540 10.933 0.639 1.00 0.00 C ATOM 0 H LEU A 78 4.929 13.228 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 78 4.016 10.601 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.195 12.860 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.693 11.190 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 78 2.910 12.559 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.710 13.471 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.330 14.217 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.056 12.978 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.289 11.141 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.658 10.555 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.332 10.185 0.599 1.00 0.00 H new ATOM 1192 N PRO A 79 3.631 9.873 -3.579 1.00 0.00 N ATOM 1193 CA PRO A 79 3.129 8.896 -2.609 1.00 0.00 C ATOM 1194 C PRO A 79 4.210 8.438 -1.635 1.00 0.00 C ATOM 1195 O PRO A 79 5.391 8.734 -1.817 1.00 0.00 O ATOM 1196 CB PRO A 79 2.671 7.728 -3.486 1.00 0.00 C ATOM 1197 CG PRO A 79 3.486 7.845 -4.728 1.00 0.00 C ATOM 1198 CD PRO A 79 3.708 9.317 -4.940 1.00 0.00 C ATOM 0 HA PRO A 79 2.340 9.312 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.839 6.772 -2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.605 7.791 -3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.435 7.318 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.967 7.402 -5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.676 9.515 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 79 2.949 9.748 -5.594 1.00 0.00 H new ATOM 1206 N THR A 80 3.798 7.713 -0.599 1.00 0.00 N ATOM 1207 CA THR A 80 4.731 7.215 0.404 1.00 0.00 C ATOM 1208 C THR A 80 4.159 6.005 1.134 1.00 0.00 C ATOM 1209 O THR A 80 3.173 6.118 1.864 1.00 0.00 O ATOM 1210 CB THR A 80 5.081 8.304 1.435 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.830 9.351 0.807 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.885 7.720 2.587 1.00 0.00 C ATOM 0 H THR A 80 2.824 7.458 -0.433 1.00 0.00 H new ATOM 0 HA THR A 80 5.637 6.921 -0.125 1.00 0.00 H new ATOM 0 HB THR A 80 4.150 8.711 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.255 10.134 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.121 8.508 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.301 6.944 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.810 7.290 2.204 1.00 0.00 H new ATOM 1220 N ILE A 81 4.782 4.849 0.933 1.00 0.00 N ATOM 1221 CA ILE A 81 4.335 3.619 1.574 1.00 0.00 C ATOM 1222 C ILE A 81 5.132 3.340 2.844 1.00 0.00 C ATOM 1223 O ILE A 81 6.343 3.557 2.890 1.00 0.00 O ATOM 1224 CB ILE A 81 4.463 2.412 0.626 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.611 2.627 -0.626 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.052 1.132 1.340 1.00 0.00 C ATOM 1227 CD1 ILE A 81 3.892 1.628 -1.727 1.00 0.00 C ATOM 0 H ILE A 81 5.598 4.739 0.331 1.00 0.00 H new ATOM 0 HA ILE A 81 3.285 3.760 1.830 1.00 0.00 H new ATOM 0 HB ILE A 81 5.505 2.317 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.557 2.568 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.786 3.633 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.148 0.288 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.697 0.974 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.017 1.216 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.252 1.841 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.937 1.702 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.689 0.620 -1.364 1.00 0.00 H new ATOM 1239 N TYR A 82 4.444 2.857 3.873 1.00 0.00 N ATOM 1240 CA TYR A 82 5.087 2.549 5.144 1.00 0.00 C ATOM 1241 C TYR A 82 4.771 1.122 5.583 1.00 0.00 C ATOM 1242 O TYR A 82 3.615 0.699 5.572 1.00 0.00 O ATOM 1243 CB TYR A 82 4.636 3.537 6.221 1.00 0.00 C ATOM 1244 CG TYR A 82 5.516 4.763 6.325 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.710 4.727 7.035 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.153 5.956 5.712 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.516 5.845 7.133 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.954 7.078 5.803 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.134 7.018 6.515 1.00 0.00 C ATOM 1250 OH TYR A 82 7.935 8.133 6.609 1.00 0.00 O ATOM 0 H TYR A 82 3.441 2.671 3.851 1.00 0.00 H new ATOM 0 HA TYR A 82 6.165 2.638 5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.614 3.851 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.620 3.029 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.013 3.810 7.518 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.229 6.007 5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.440 5.801 7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.658 7.997 5.319 1.00 0.00 H new ATOM 0 HH TYR A 82 7.523 8.874 6.117 1.00 0.00 H new ATOM 1260 N HIS A 83 5.807 0.386 5.971 1.00 0.00 N ATOM 1261 CA HIS A 83 5.641 -0.994 6.416 1.00 0.00 C ATOM 1262 C HIS A 83 5.613 -1.074 7.939 1.00 0.00 C ATOM 1263 O HIS A 83 6.591 -0.734 8.606 1.00 0.00 O ATOM 1264 CB HIS A 83 6.770 -1.868 5.868 1.00 0.00 C ATOM 1265 CG HIS A 83 6.677 -3.301 6.292 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.537 -3.872 7.206 1.00 0.00 N ATOM 1267 CD2 HIS A 83 5.818 -4.280 5.924 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.212 -5.141 7.380 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.172 -5.413 6.613 1.00 0.00 N ATOM 0 H HIS A 83 6.770 0.721 5.987 1.00 0.00 H new ATOM 0 HA HIS A 83 4.689 -1.361 6.033 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.761 -1.818 4.779 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.726 -1.461 6.198 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.005 -4.187 5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.712 -5.837 8.037 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.707 -6.318 6.544 1.00 0.00 H new ATOM 1278 N CYS A 84 4.488 -1.524 8.482 1.00 0.00 N ATOM 1279 CA CYS A 84 4.332 -1.647 9.927 1.00 0.00 C ATOM 1280 C CYS A 84 4.384 -3.110 10.357 1.00 0.00 C ATOM 1281 O CYS A 84 3.517 -3.905 9.997 1.00 0.00 O ATOM 1282 CB CYS A 84 3.012 -1.018 10.374 1.00 0.00 C ATOM 1283 SG CYS A 84 2.953 -0.596 12.132 1.00 0.00 S ATOM 0 H CYS A 84 3.670 -1.810 7.944 1.00 0.00 H new ATOM 0 HA CYS A 84 5.157 -1.118 10.403 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.835 -0.116 9.789 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.199 -1.708 10.149 1.00 0.00 H new ATOM 0 HG CYS A 84 3.110 0.686 12.276 1.00 0.00 H new ATOM 1289 N LYS A 85 5.408 -3.458 11.128 1.00 0.00 N ATOM 1290 CA LYS A 85 5.575 -4.825 11.608 1.00 0.00 C ATOM 1291 C LYS A 85 5.660 -4.861 13.130 1.00 0.00 C ATOM 1292 O LYS A 85 6.569 -4.282 13.725 1.00 0.00 O ATOM 1293 CB LYS A 85 6.834 -5.450 11.001 1.00 0.00 C ATOM 1294 CG LYS A 85 7.191 -6.800 11.599 1.00 0.00 C ATOM 1295 CD LYS A 85 8.646 -7.156 11.343 1.00 0.00 C ATOM 1296 CE LYS A 85 8.843 -8.661 11.249 1.00 0.00 C ATOM 1297 NZ LYS A 85 8.886 -9.299 12.594 1.00 0.00 N ATOM 0 H LYS A 85 6.136 -2.812 11.434 1.00 0.00 H new ATOM 0 HA LYS A 85 4.704 -5.402 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.691 -5.564 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.672 -4.767 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.003 -6.785 12.672 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.547 -7.569 11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.979 -6.686 10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.266 -6.756 12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.033 -9.098 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.770 -8.874 10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.021 -10.325 12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.675 -8.901 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.992 -9.118 13.093 1.00 0.00 H new ATOM 1311 N ASP A 86 4.708 -5.546 13.755 1.00 0.00 N ATOM 1312 CA ASP A 86 4.677 -5.659 15.209 1.00 0.00 C ATOM 1313 C ASP A 86 4.920 -4.304 15.865 1.00 0.00 C ATOM 1314 O ASP A 86 5.511 -4.221 16.941 1.00 0.00 O ATOM 1315 CB ASP A 86 5.725 -6.666 15.685 1.00 0.00 C ATOM 1316 CG ASP A 86 5.330 -7.342 16.983 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.218 -7.909 17.043 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.132 -7.306 17.939 1.00 0.00 O ATOM 0 H ASP A 86 3.948 -6.031 13.278 1.00 0.00 H new ATOM 0 HA ASP A 86 3.687 -6.011 15.501 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.873 -7.423 14.915 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.679 -6.157 15.820 1.00 0.00 H new ATOM 1323 N GLY A 87 4.461 -3.243 15.208 1.00 0.00 N ATOM 1324 CA GLY A 87 4.639 -1.905 15.743 1.00 0.00 C ATOM 1325 C GLY A 87 5.714 -1.127 15.010 1.00 0.00 C ATOM 1326 O GLY A 87 5.540 0.055 14.715 1.00 0.00 O ATOM 0 H GLY A 87 3.969 -3.286 14.315 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.695 -1.363 15.680 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.899 -1.971 16.800 1.00 0.00 H new ATOM 1330 N GLU A 88 6.828 -1.791 14.717 1.00 0.00 N ATOM 1331 CA GLU A 88 7.936 -1.151 14.017 1.00 0.00 C ATOM 1332 C GLU A 88 7.475 -0.576 12.681 1.00 0.00 C ATOM 1333 O GLU A 88 6.682 -1.192 11.967 1.00 0.00 O ATOM 1334 CB GLU A 88 9.070 -2.153 13.790 1.00 0.00 C ATOM 1335 CG GLU A 88 9.721 -2.637 15.074 1.00 0.00 C ATOM 1336 CD GLU A 88 10.000 -1.509 16.048 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.827 -0.632 15.721 1.00 0.00 O ATOM 1338 OE2 GLU A 88 9.390 -1.503 17.138 1.00 0.00 O ATOM 0 H GLU A 88 6.987 -2.770 14.953 1.00 0.00 H new ATOM 0 HA GLU A 88 8.302 -0.333 14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.680 -3.012 13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.830 -1.692 13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.073 -3.372 15.551 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.655 -3.144 14.834 1.00 0.00 H new ATOM 1345 N PHE A 89 7.977 0.608 12.348 1.00 0.00 N ATOM 1346 CA PHE A 89 7.617 1.268 11.099 1.00 0.00 C ATOM 1347 C PHE A 89 8.844 1.464 10.213 1.00 0.00 C ATOM 1348 O PHE A 89 9.882 1.943 10.670 1.00 0.00 O ATOM 1349 CB PHE A 89 6.958 2.620 11.383 1.00 0.00 C ATOM 1350 CG PHE A 89 5.567 2.504 11.937 1.00 0.00 C ATOM 1351 CD1 PHE A 89 5.361 2.333 13.297 1.00 0.00 C ATOM 1352 CD2 PHE A 89 4.465 2.566 11.099 1.00 0.00 C ATOM 1353 CE1 PHE A 89 4.082 2.225 13.810 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.184 2.459 11.606 1.00 0.00 C ATOM 1355 CZ PHE A 89 2.992 2.289 12.964 1.00 0.00 C ATOM 0 H PHE A 89 8.635 1.131 12.926 1.00 0.00 H new ATOM 0 HA PHE A 89 6.908 0.629 10.572 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.576 3.176 12.088 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.926 3.200 10.461 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.209 2.284 13.963 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.609 2.700 10.037 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.935 2.091 14.871 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.334 2.508 10.942 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.992 2.206 13.363 1.00 0.00 H new ATOM 1365 N ARG A 90 8.716 1.090 8.945 1.00 0.00 N ATOM 1366 CA ARG A 90 9.815 1.223 7.995 1.00 0.00 C ATOM 1367 C ARG A 90 9.312 1.744 6.652 1.00 0.00 C ATOM 1368 O ARG A 90 8.649 1.025 5.905 1.00 0.00 O ATOM 1369 CB ARG A 90 10.516 -0.123 7.802 1.00 0.00 C ATOM 1370 CG ARG A 90 11.590 -0.405 8.839 1.00 0.00 C ATOM 1371 CD ARG A 90 12.467 -1.577 8.429 1.00 0.00 C ATOM 1372 NE ARG A 90 13.425 -1.936 9.472 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.121 -2.693 10.520 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.892 -3.170 10.663 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.047 -2.976 11.426 1.00 0.00 N ATOM 0 H ARG A 90 7.863 0.693 8.551 1.00 0.00 H new ATOM 0 HA ARG A 90 10.528 1.941 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.772 -0.919 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.966 -0.150 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.208 0.483 8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.122 -0.618 9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.838 -2.438 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.004 -1.325 7.515 1.00 0.00 H new ATOM 0 HE ARG A 90 14.380 -1.586 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.178 -2.956 9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.661 -3.751 11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.994 -2.612 11.318 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.812 -3.557 12.231 1.00 0.00 H new ATOM 1389 N ARG A 91 9.633 2.999 6.352 1.00 0.00 N ATOM 1390 CA ARG A 91 9.213 3.616 5.100 1.00 0.00 C ATOM 1391 C ARG A 91 9.612 2.753 3.907 1.00 0.00 C ATOM 1392 O ARG A 91 10.554 1.964 3.986 1.00 0.00 O ATOM 1393 CB ARG A 91 9.827 5.010 4.963 1.00 0.00 C ATOM 1394 CG ARG A 91 9.462 5.713 3.666 1.00 0.00 C ATOM 1395 CD ARG A 91 10.071 7.104 3.595 1.00 0.00 C ATOM 1396 NE ARG A 91 11.503 7.061 3.312 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.434 6.937 4.251 1.00 0.00 C ATOM 1398 NH1 ARG A 91 12.085 6.844 5.527 1.00 0.00 N ATOM 1399 NH2 ARG A 91 13.717 6.906 3.915 1.00 0.00 N ATOM 0 H ARG A 91 10.182 3.608 6.959 1.00 0.00 H new ATOM 0 HA ARG A 91 8.127 3.705 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.503 5.624 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.912 4.928 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.808 5.120 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.378 5.785 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.566 7.682 2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.904 7.622 4.540 1.00 0.00 H new ATOM 0 HE ARG A 91 11.805 7.130 2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.100 6.868 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.802 6.749 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.989 6.977 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.431 6.811 4.637 1.00 0.00 H new ATOM 1413 N TYR A 92 8.890 2.909 2.803 1.00 0.00 N ATOM 1414 CA TYR A 92 9.167 2.142 1.594 1.00 0.00 C ATOM 1415 C TYR A 92 10.133 2.892 0.682 1.00 0.00 C ATOM 1416 O TYR A 92 9.792 3.935 0.124 1.00 0.00 O ATOM 1417 CB TYR A 92 7.867 1.845 0.845 1.00 0.00 C ATOM 1418 CG TYR A 92 7.972 0.678 -0.111 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.361 0.868 -1.431 1.00 0.00 C ATOM 1420 CD2 TYR A 92 7.682 -0.615 0.306 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.458 -0.195 -2.308 1.00 0.00 C ATOM 1422 CE2 TYR A 92 7.778 -1.685 -0.563 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.166 -1.470 -1.869 1.00 0.00 C ATOM 1424 OH TYR A 92 8.261 -2.532 -2.738 1.00 0.00 O ATOM 0 H TYR A 92 8.109 3.559 2.720 1.00 0.00 H new ATOM 0 HA TYR A 92 9.632 1.201 1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.079 1.641 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.567 2.733 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.592 1.864 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.376 -0.787 1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.761 -0.029 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.551 -2.684 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 92 8.894 -2.314 -3.453 1.00 0.00 H new ATOM 1434 N GLN A 93 11.339 2.353 0.537 1.00 0.00 N ATOM 1435 CA GLN A 93 12.355 2.971 -0.307 1.00 0.00 C ATOM 1436 C GLN A 93 12.683 2.083 -1.502 1.00 0.00 C ATOM 1437 O GLN A 93 13.704 1.397 -1.517 1.00 0.00 O ATOM 1438 CB GLN A 93 13.623 3.245 0.503 1.00 0.00 C ATOM 1439 CG GLN A 93 13.372 4.033 1.779 1.00 0.00 C ATOM 1440 CD GLN A 93 14.523 3.938 2.760 1.00 0.00 C ATOM 1441 OE1 GLN A 93 14.235 4.168 4.036 1.00 0.00 O flip ATOM 1442 NE2 GLN A 93 15.660 3.661 2.376 1.00 0.00 N flip ATOM 0 H GLN A 93 11.636 1.490 0.993 1.00 0.00 H new ATOM 0 HA GLN A 93 11.958 3.916 -0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.093 2.295 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.330 3.793 -0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.200 5.079 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.463 3.666 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.837 3.492 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.425 3.601 3.048 1.00 0.00 H new ATOM 1451 N GLY A 94 11.810 2.101 -2.505 1.00 0.00 N ATOM 1452 CA GLY A 94 12.025 1.293 -3.691 1.00 0.00 C ATOM 1453 C GLY A 94 11.224 1.784 -4.880 1.00 0.00 C ATOM 1454 O GLY A 94 10.667 2.883 -4.870 1.00 0.00 O ATOM 0 H GLY A 94 10.958 2.661 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.085 1.299 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.754 0.259 -3.476 1.00 0.00 H new ATOM 1458 N PRO A 95 11.159 0.960 -5.936 1.00 0.00 N ATOM 1459 CA PRO A 95 10.424 1.296 -7.159 1.00 0.00 C ATOM 1460 C PRO A 95 8.914 1.299 -6.945 1.00 0.00 C ATOM 1461 O PRO A 95 8.153 1.697 -7.828 1.00 0.00 O ATOM 1462 CB PRO A 95 10.824 0.183 -8.131 1.00 0.00 C ATOM 1463 CG PRO A 95 11.198 -0.965 -7.258 1.00 0.00 C ATOM 1464 CD PRO A 95 11.798 -0.364 -6.018 1.00 0.00 C ATOM 0 HA PRO A 95 10.663 2.298 -7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.000 -0.077 -8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.659 0.489 -8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.325 -1.571 -7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.911 -1.620 -7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.586 -0.968 -5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.882 -0.283 -6.095 1.00 0.00 H new ATOM 1472 N ARG A 96 8.487 0.854 -5.768 1.00 0.00 N ATOM 1473 CA ARG A 96 7.067 0.805 -5.439 1.00 0.00 C ATOM 1474 C ARG A 96 6.276 0.114 -6.545 1.00 0.00 C ATOM 1475 O ARG A 96 5.204 0.574 -6.939 1.00 0.00 O ATOM 1476 CB ARG A 96 6.525 2.218 -5.217 1.00 0.00 C ATOM 1477 CG ARG A 96 6.794 2.762 -3.823 1.00 0.00 C ATOM 1478 CD ARG A 96 6.038 4.058 -3.575 1.00 0.00 C ATOM 1479 NE ARG A 96 6.625 4.833 -2.485 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.833 5.381 -2.540 1.00 0.00 C ATOM 1481 NH1 ARG A 96 8.579 5.240 -3.627 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.298 6.073 -1.507 1.00 0.00 N ATOM 0 H ARG A 96 9.104 0.522 -5.026 1.00 0.00 H new ATOM 0 HA ARG A 96 6.952 0.230 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.971 2.889 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.450 2.218 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.501 2.021 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.863 2.934 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.036 4.657 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.998 3.832 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 96 6.077 4.960 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.225 4.710 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.507 5.662 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.727 6.184 -0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.226 6.493 -1.551 1.00 0.00 H new ATOM 1496 N THR A 97 6.813 -0.995 -7.045 1.00 0.00 N ATOM 1497 CA THR A 97 6.159 -1.750 -8.107 1.00 0.00 C ATOM 1498 C THR A 97 5.636 -3.085 -7.590 1.00 0.00 C ATOM 1499 O THR A 97 6.028 -3.545 -6.518 1.00 0.00 O ATOM 1500 CB THR A 97 7.117 -2.008 -9.285 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.303 -2.661 -8.818 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.489 -0.705 -9.976 1.00 0.00 C ATOM 0 H THR A 97 7.699 -1.390 -6.731 1.00 0.00 H new ATOM 0 HA THR A 97 5.322 -1.145 -8.455 1.00 0.00 H new ATOM 0 HB THR A 97 6.608 -2.650 -10.004 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.906 -2.823 -9.573 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.166 -0.913 -10.804 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.587 -0.224 -10.356 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.980 -0.043 -9.263 1.00 0.00 H new ATOM 1510 N LYS A 98 4.747 -3.705 -8.360 1.00 0.00 N ATOM 1511 CA LYS A 98 4.171 -4.990 -7.982 1.00 0.00 C ATOM 1512 C LYS A 98 5.264 -5.996 -7.636 1.00 0.00 C ATOM 1513 O LYS A 98 5.383 -6.430 -6.490 1.00 0.00 O ATOM 1514 CB LYS A 98 3.301 -5.535 -9.117 1.00 0.00 C ATOM 1515 CG LYS A 98 2.138 -6.386 -8.636 1.00 0.00 C ATOM 1516 CD LYS A 98 1.749 -7.432 -9.668 1.00 0.00 C ATOM 1517 CE LYS A 98 2.693 -8.624 -9.636 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.323 -9.652 -10.648 1.00 0.00 N ATOM 0 H LYS A 98 4.410 -3.338 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 98 3.551 -4.837 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.913 -4.699 -9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.923 -6.129 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.408 -6.878 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.281 -5.747 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.730 -7.769 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.759 -6.985 -10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.713 -8.285 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.679 -9.071 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.990 -10.448 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.359 -9.995 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.361 -9.232 -11.599 1.00 0.00 H new ATOM 1532 N LYS A 99 6.061 -6.363 -8.634 1.00 0.00 N ATOM 1533 CA LYS A 99 7.147 -7.316 -8.436 1.00 0.00 C ATOM 1534 C LYS A 99 7.980 -6.944 -7.213 1.00 0.00 C ATOM 1535 O LYS A 99 8.129 -7.741 -6.286 1.00 0.00 O ATOM 1536 CB LYS A 99 8.039 -7.369 -9.678 1.00 0.00 C ATOM 1537 CG LYS A 99 9.335 -8.131 -9.463 1.00 0.00 C ATOM 1538 CD LYS A 99 10.490 -7.192 -9.159 1.00 0.00 C ATOM 1539 CE LYS A 99 11.508 -7.841 -8.234 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.887 -7.337 -8.485 1.00 0.00 N ATOM 0 H LYS A 99 5.975 -6.015 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 99 6.709 -8.300 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.485 -7.834 -10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.273 -6.351 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.212 -8.836 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.566 -8.717 -10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.977 -6.899 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.108 -6.281 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.233 -7.646 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.486 -8.922 -8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.551 -7.804 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.160 -7.546 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.915 -6.309 -8.329 1.00 0.00 H new ATOM 1554 N ASP A 100 8.520 -5.731 -7.218 1.00 0.00 N ATOM 1555 CA ASP A 100 9.337 -5.253 -6.108 1.00 0.00 C ATOM 1556 C ASP A 100 8.678 -5.576 -4.771 1.00 0.00 C ATOM 1557 O ASP A 100 9.262 -6.256 -3.927 1.00 0.00 O ATOM 1558 CB ASP A 100 9.566 -3.745 -6.227 1.00 0.00 C ATOM 1559 CG ASP A 100 10.604 -3.238 -5.247 1.00 0.00 C ATOM 1560 OD1 ASP A 100 11.809 -3.459 -5.491 1.00 0.00 O ATOM 1561 OD2 ASP A 100 10.212 -2.620 -4.235 1.00 0.00 O ATOM 0 H ASP A 100 8.407 -5.060 -7.978 1.00 0.00 H new ATOM 0 HA ASP A 100 10.299 -5.763 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.883 -3.508 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.624 -3.223 -6.057 1.00 0.00 H new ATOM 1566 N PHE A 101 7.459 -5.082 -4.583 1.00 0.00 N ATOM 1567 CA PHE A 101 6.721 -5.316 -3.347 1.00 0.00 C ATOM 1568 C PHE A 101 6.948 -6.736 -2.838 1.00 0.00 C ATOM 1569 O PHE A 101 7.507 -6.939 -1.760 1.00 0.00 O ATOM 1570 CB PHE A 101 5.227 -5.073 -3.566 1.00 0.00 C ATOM 1571 CG PHE A 101 4.866 -3.620 -3.686 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.400 -2.686 -2.812 1.00 0.00 C ATOM 1573 CD2 PHE A 101 3.994 -3.187 -4.672 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.070 -1.348 -2.920 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.660 -1.851 -4.784 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.200 -0.930 -3.908 1.00 0.00 C ATOM 0 H PHE A 101 6.961 -4.517 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 101 7.089 -4.617 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.911 -5.593 -4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.671 -5.510 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.081 -3.007 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.570 -3.902 -5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.492 -0.630 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.977 -1.527 -5.556 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.942 0.115 -3.995 1.00 0.00 H new ATOM 1586 N ILE A 102 6.511 -7.716 -3.623 1.00 0.00 N ATOM 1587 CA ILE A 102 6.666 -9.117 -3.253 1.00 0.00 C ATOM 1588 C ILE A 102 7.951 -9.338 -2.463 1.00 0.00 C ATOM 1589 O ILE A 102 7.915 -9.661 -1.276 1.00 0.00 O ATOM 1590 CB ILE A 102 6.677 -10.029 -4.494 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.297 -10.046 -5.153 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.106 -11.438 -4.112 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.146 -9.034 -6.267 1.00 0.00 C ATOM 0 H ILE A 102 6.047 -7.565 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 102 5.810 -9.375 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 102 7.396 -9.634 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.106 -11.043 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.539 -9.854 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.109 -12.071 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.108 -11.410 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.409 -11.844 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.143 -9.103 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.305 -8.031 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.881 -9.238 -7.046 1.00 0.00 H new ATOM 1605 N ASN A 103 9.088 -9.159 -3.129 1.00 0.00 N ATOM 1606 CA ASN A 103 10.386 -9.337 -2.488 1.00 0.00 C ATOM 1607 C ASN A 103 10.445 -8.586 -1.162 1.00 0.00 C ATOM 1608 O ASN A 103 10.833 -9.145 -0.136 1.00 0.00 O ATOM 1609 CB ASN A 103 11.504 -8.852 -3.412 1.00 0.00 C ATOM 1610 CG ASN A 103 11.681 -9.746 -4.624 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.064 -9.364 -5.736 1.00 0.00 O flip ATOM 1612 ND2 ASN A 103 12.365 -10.768 -4.561 1.00 0.00 N flip ATOM 0 H ASN A 103 9.136 -8.891 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 103 10.523 -10.400 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.284 -7.837 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.440 -8.811 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.821 -11.023 -3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.475 -11.359 -5.385 1.00 0.00 H new ATOM 1619 N PHE A 104 10.058 -7.315 -1.190 1.00 0.00 N ATOM 1620 CA PHE A 104 10.067 -6.486 0.010 1.00 0.00 C ATOM 1621 C PHE A 104 9.338 -7.180 1.157 1.00 0.00 C ATOM 1622 O PHE A 104 9.552 -6.860 2.326 1.00 0.00 O ATOM 1623 CB PHE A 104 9.418 -5.130 -0.276 1.00 0.00 C ATOM 1624 CG PHE A 104 9.379 -4.220 0.919 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.527 -3.576 1.352 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.196 -4.010 1.608 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.495 -2.738 2.451 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.158 -3.172 2.707 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.309 -2.536 3.129 1.00 0.00 C ATOM 0 H PHE A 104 9.734 -6.836 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 104 11.105 -6.329 0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.964 -4.637 -1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.401 -5.291 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.457 -3.730 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.293 -4.506 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.396 -2.242 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.229 -3.015 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.282 -1.882 3.988 1.00 0.00 H new ATOM 1639 N ILE A 105 8.477 -8.132 0.812 1.00 0.00 N ATOM 1640 CA ILE A 105 7.717 -8.872 1.812 1.00 0.00 C ATOM 1641 C ILE A 105 8.353 -10.229 2.092 1.00 0.00 C ATOM 1642 O ILE A 105 8.664 -10.555 3.238 1.00 0.00 O ATOM 1643 CB ILE A 105 6.258 -9.084 1.366 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.574 -7.736 1.125 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.498 -9.890 2.408 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.616 -6.814 2.323 1.00 0.00 C ATOM 0 H ILE A 105 8.289 -8.409 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 105 7.727 -8.274 2.723 1.00 0.00 H new ATOM 0 HB ILE A 105 6.257 -9.643 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.052 -7.241 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.535 -7.910 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.469 -10.032 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.975 -10.862 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.505 -9.355 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.113 -5.878 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.112 -7.289 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.653 -6.610 2.589 1.00 0.00 H new ATOM 1658 N SER A 106 8.546 -11.015 1.038 1.00 0.00 N ATOM 1659 CA SER A 106 9.144 -12.339 1.171 1.00 0.00 C ATOM 1660 C SER A 106 10.627 -12.233 1.511 1.00 0.00 C ATOM 1661 O SER A 106 11.100 -12.839 2.472 1.00 0.00 O ATOM 1662 CB SER A 106 8.960 -13.137 -0.121 1.00 0.00 C ATOM 1663 OG SER A 106 9.425 -14.467 0.030 1.00 0.00 O ATOM 0 H SER A 106 8.297 -10.759 0.083 1.00 0.00 H new ATOM 0 HA SER A 106 8.639 -12.859 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.906 -13.146 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.500 -12.650 -0.933 1.00 0.00 H new ATOM 0 HG SER A 106 9.295 -14.956 -0.809 1.00 0.00 H new ATOM 1669 N ASP A 107 11.356 -11.459 0.714 1.00 0.00 N ATOM 1670 CA ASP A 107 12.786 -11.271 0.929 1.00 0.00 C ATOM 1671 C ASP A 107 13.041 -10.352 2.120 1.00 0.00 C ATOM 1672 O ASP A 107 14.184 -10.008 2.419 1.00 0.00 O ATOM 1673 CB ASP A 107 13.441 -10.693 -0.326 1.00 0.00 C ATOM 1674 CG ASP A 107 13.324 -11.620 -1.520 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.195 -11.800 -2.024 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.361 -12.166 -1.951 1.00 0.00 O ATOM 0 H ASP A 107 10.980 -10.952 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 107 13.226 -12.245 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.978 -9.736 -0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.494 -10.496 -0.125 1.00 0.00 H new ATOM 1681 N LYS A 108 11.967 -9.958 2.797 1.00 0.00 N ATOM 1682 CA LYS A 108 12.073 -9.079 3.955 1.00 0.00 C ATOM 1683 C LYS A 108 13.176 -8.045 3.755 1.00 0.00 C ATOM 1684 O LYS A 108 14.078 -7.919 4.583 1.00 0.00 O ATOM 1685 CB LYS A 108 12.349 -9.898 5.219 1.00 0.00 C ATOM 1686 CG LYS A 108 11.334 -11.001 5.463 1.00 0.00 C ATOM 1687 CD LYS A 108 11.815 -11.975 6.525 1.00 0.00 C ATOM 1688 CE LYS A 108 10.835 -13.124 6.711 1.00 0.00 C ATOM 1689 NZ LYS A 108 9.808 -12.815 7.745 1.00 0.00 N ATOM 0 H LYS A 108 11.013 -10.234 2.563 1.00 0.00 H new ATOM 0 HA LYS A 108 11.125 -8.554 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.343 -10.340 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.360 -9.229 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.386 -10.562 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.148 -11.538 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.791 -12.370 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.945 -11.449 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.342 -13.338 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.380 -14.023 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.159 -13.622 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.276 -12.635 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.271 -11.972 7.459 1.00 0.00 H new ATOM 1703 N GLU A 109 13.097 -7.307 2.652 1.00 0.00 N ATOM 1704 CA GLU A 109 14.089 -6.284 2.345 1.00 0.00 C ATOM 1705 C GLU A 109 14.007 -5.130 3.341 1.00 0.00 C ATOM 1706 O GLU A 109 14.964 -4.375 3.512 1.00 0.00 O ATOM 1707 CB GLU A 109 13.890 -5.759 0.922 1.00 0.00 C ATOM 1708 CG GLU A 109 13.938 -6.845 -0.139 1.00 0.00 C ATOM 1709 CD GLU A 109 14.214 -6.295 -1.525 1.00 0.00 C ATOM 1710 OE1 GLU A 109 13.265 -5.795 -2.164 1.00 0.00 O ATOM 1711 OE2 GLU A 109 15.379 -6.364 -1.970 1.00 0.00 O ATOM 0 H GLU A 109 12.356 -7.399 1.957 1.00 0.00 H new ATOM 0 HA GLU A 109 15.077 -6.738 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.929 -5.248 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.659 -5.018 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.711 -7.568 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.989 -7.382 -0.147 1.00 0.00 H new ATOM 1718 N TRP A 110 12.858 -5.001 3.994 1.00 0.00 N ATOM 1719 CA TRP A 110 12.649 -3.939 4.972 1.00 0.00 C ATOM 1720 C TRP A 110 13.816 -3.865 5.951 1.00 0.00 C ATOM 1721 O TRP A 110 14.189 -2.783 6.407 1.00 0.00 O ATOM 1722 CB TRP A 110 11.343 -4.168 5.733 1.00 0.00 C ATOM 1723 CG TRP A 110 11.142 -5.592 6.154 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.678 -6.618 5.381 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.398 -6.147 7.449 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.630 -7.777 6.118 1.00 0.00 N ATOM 1727 CE2 TRP A 110 11.067 -7.515 7.389 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.876 -5.622 8.653 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.198 -8.361 8.487 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.005 -6.462 9.742 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.669 -7.820 9.653 1.00 0.00 C ATOM 0 H TRP A 110 12.057 -5.618 3.864 1.00 0.00 H new ATOM 0 HA TRP A 110 12.587 -2.992 4.436 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.329 -3.530 6.617 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.507 -3.861 5.105 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.391 -6.531 4.343 1.00 0.00 H new ATOM 0 HE1 TRP A 110 10.319 -8.685 5.774 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.140 -4.578 8.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.937 -9.407 8.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.371 -6.066 10.678 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.784 -8.452 10.521 1.00 0.00 H new ATOM 1742 N LYS A 111 14.389 -5.020 6.270 1.00 0.00 N ATOM 1743 CA LYS A 111 15.515 -5.086 7.194 1.00 0.00 C ATOM 1744 C LYS A 111 16.598 -4.085 6.805 1.00 0.00 C ATOM 1745 O LYS A 111 17.165 -3.405 7.660 1.00 0.00 O ATOM 1746 CB LYS A 111 16.099 -6.500 7.219 1.00 0.00 C ATOM 1747 CG LYS A 111 15.493 -7.389 8.292 1.00 0.00 C ATOM 1748 CD LYS A 111 14.289 -8.153 7.768 1.00 0.00 C ATOM 1749 CE LYS A 111 14.119 -9.484 8.484 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.235 -9.338 9.962 1.00 0.00 N ATOM 0 H LYS A 111 14.092 -5.924 5.902 1.00 0.00 H new ATOM 0 HA LYS A 111 15.150 -4.832 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.946 -6.965 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.176 -6.437 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.244 -8.093 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.195 -6.780 9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.390 -7.551 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.404 -8.326 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.146 -9.908 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.873 -10.187 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.046 -10.254 10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.195 -9.022 10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.544 -8.636 10.297 1.00 0.00 H new ATOM 1764 N SER A 112 16.880 -3.999 5.509 1.00 0.00 N ATOM 1765 CA SER A 112 17.897 -3.082 5.006 1.00 0.00 C ATOM 1766 C SER A 112 17.504 -1.633 5.278 1.00 0.00 C ATOM 1767 O SER A 112 18.361 -0.777 5.498 1.00 0.00 O ATOM 1768 CB SER A 112 18.107 -3.292 3.506 1.00 0.00 C ATOM 1769 OG SER A 112 19.385 -2.835 3.100 1.00 0.00 O ATOM 0 H SER A 112 16.419 -4.553 4.788 1.00 0.00 H new ATOM 0 HA SER A 112 18.830 -3.292 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.003 -4.350 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.334 -2.761 2.950 1.00 0.00 H new ATOM 0 HG SER A 112 19.494 -2.982 2.137 1.00 0.00 H new ATOM 1775 N ILE A 113 16.202 -1.367 5.261 1.00 0.00 N ATOM 1776 CA ILE A 113 15.695 -0.023 5.507 1.00 0.00 C ATOM 1777 C ILE A 113 15.575 0.255 7.002 1.00 0.00 C ATOM 1778 O ILE A 113 15.075 -0.576 7.759 1.00 0.00 O ATOM 1779 CB ILE A 113 14.321 0.190 4.845 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.409 -0.072 3.340 1.00 0.00 C ATOM 1781 CG2 ILE A 113 13.816 1.600 5.114 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.063 -0.286 2.684 1.00 0.00 C ATOM 0 H ILE A 113 15.480 -2.064 5.080 1.00 0.00 H new ATOM 0 HA ILE A 113 16.413 0.670 5.068 1.00 0.00 H new ATOM 0 HB ILE A 113 13.613 -0.517 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 113 14.907 0.771 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.032 -0.950 3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.844 1.735 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 113 13.720 1.753 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.522 2.323 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.202 -0.466 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.571 -1.147 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.445 0.601 2.824 1.00 0.00 H new