USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 945 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 102 MET CE :methyl -106:sc= -0.225 (180deg=-1.51) USER MOD Set 1.2: A 104 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Set 2.1: A 76 TYR OH : rot -132:sc= 0.0612 USER MOD Set 2.2: A 80 MET CE :methyl -136:sc= -0.243 (180deg=-0.207) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0546 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0074 X(o=-0.0074,f=-0.0074) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 1.23 K(o=1.2,f=-0.016) USER MOD Single : A 19 THR OG1 : rot 175:sc= 0.421 USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= -0.0613 (180deg=-1.27!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -168:sc= 0.0466 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= -0.212 (180deg=-0.927) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= -0.0971 (180deg=-0.422) USER MOD Single : A 38 SER OG : rot -98:sc= 1.28 USER MOD Single : A 39 THR OG1 : rot 0:sc= 0.7 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -78:sc= 0.606 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.653 F(o=-2.5,f=-0.65) USER MOD Single : A 57 TYR OH : rot -44:sc= 0.882 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0.397 (180deg=0.331) USER MOD Single : A 62 THR OG1 : rot 4:sc= 0.712 USER MOD Single : A 64 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 66 ASN : amide:sc= -2.67 K(o=-2.7,f=-8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.015 F(o=-0.63,f=-0.015) USER MOD Single : A 73 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ -119:sc= -0.0741 (180deg=-1.36!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -11.2! C(o=-12!,f=-11!) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0194) USER MOD Single : A 105 THR OG1 : rot -130:sc= -0.184 USER MOD Single : A 109 CYS SG : rot -37:sc= -3.11! USER MOD Single : A 111 MET CE :methyl 145:sc= -4.72! (180deg=-7.41!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.937 13.296 -2.135 1.00 0.00 N ATOM 2 CA GLY A 1 8.968 13.958 -1.356 1.00 0.00 C ATOM 3 C GLY A 1 10.315 13.274 -1.479 1.00 0.00 C ATOM 4 O GLY A 1 10.391 12.091 -1.811 1.00 0.00 O ATOM 0 H1 GLY A 1 7.623 13.925 -2.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.319 12.419 -2.542 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.129 13.069 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.058 14.994 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.669 13.980 -0.308 1.00 0.00 H new ATOM 8 N SER A 2 11.382 14.020 -1.212 1.00 0.00 N ATOM 9 CA SER A 2 12.734 13.480 -1.299 1.00 0.00 C ATOM 10 C SER A 2 13.403 13.465 0.072 1.00 0.00 C ATOM 11 O SER A 2 13.364 14.453 0.805 1.00 0.00 O ATOM 12 CB SER A 2 13.572 14.303 -2.278 1.00 0.00 C ATOM 13 OG SER A 2 13.396 13.848 -3.609 1.00 0.00 O ATOM 0 H SER A 2 11.337 15.000 -0.934 1.00 0.00 H new ATOM 0 HA SER A 2 12.666 12.454 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.290 15.354 -2.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.625 14.238 -2.004 1.00 0.00 H new ATOM 0 HG SER A 2 13.941 14.392 -4.215 1.00 0.00 H new ATOM 19 N SER A 3 14.014 12.335 0.412 1.00 0.00 N ATOM 20 CA SER A 3 14.689 12.188 1.697 1.00 0.00 C ATOM 21 C SER A 3 16.177 11.918 1.501 1.00 0.00 C ATOM 22 O SER A 3 17.025 12.648 2.014 1.00 0.00 O ATOM 23 CB SER A 3 14.055 11.051 2.502 1.00 0.00 C ATOM 24 OG SER A 3 12.889 11.493 3.176 1.00 0.00 O ATOM 0 H SER A 3 14.056 11.508 -0.184 1.00 0.00 H new ATOM 0 HA SER A 3 14.576 13.122 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.803 10.226 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.774 10.668 3.226 1.00 0.00 H new ATOM 0 HG SER A 3 12.501 10.748 3.682 1.00 0.00 H new ATOM 30 N GLY A 4 16.489 10.862 0.755 1.00 0.00 N ATOM 31 CA GLY A 4 17.875 10.515 0.504 1.00 0.00 C ATOM 32 C GLY A 4 18.250 9.167 1.091 1.00 0.00 C ATOM 33 O GLY A 4 18.392 8.185 0.364 1.00 0.00 O ATOM 0 H GLY A 4 15.806 10.241 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.054 10.503 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.521 11.284 0.926 1.00 0.00 H new ATOM 37 N SER A 5 18.411 9.123 2.409 1.00 0.00 N ATOM 38 CA SER A 5 18.778 7.888 3.092 1.00 0.00 C ATOM 39 C SER A 5 17.891 6.732 2.639 1.00 0.00 C ATOM 40 O SER A 5 16.796 6.943 2.116 1.00 0.00 O ATOM 41 CB SER A 5 18.667 8.066 4.608 1.00 0.00 C ATOM 42 OG SER A 5 17.311 8.095 5.020 1.00 0.00 O ATOM 0 H SER A 5 18.293 9.927 3.025 1.00 0.00 H new ATOM 0 HA SER A 5 19.811 7.653 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.186 7.251 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.161 8.991 4.906 1.00 0.00 H new ATOM 0 HG SER A 5 17.267 8.208 5.992 1.00 0.00 H new ATOM 48 N SER A 6 18.372 5.510 2.843 1.00 0.00 N ATOM 49 CA SER A 6 17.626 4.320 2.452 1.00 0.00 C ATOM 50 C SER A 6 18.067 3.109 3.267 1.00 0.00 C ATOM 51 O SER A 6 19.137 3.113 3.876 1.00 0.00 O ATOM 52 CB SER A 6 17.815 4.041 0.960 1.00 0.00 C ATOM 53 OG SER A 6 19.189 4.019 0.615 1.00 0.00 O ATOM 0 H SER A 6 19.275 5.318 3.277 1.00 0.00 H new ATOM 0 HA SER A 6 16.570 4.503 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.358 3.085 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.303 4.806 0.376 1.00 0.00 H new ATOM 0 HG SER A 6 19.283 3.837 -0.343 1.00 0.00 H new ATOM 59 N GLY A 7 17.236 2.071 3.274 1.00 0.00 N ATOM 60 CA GLY A 7 17.557 0.867 4.018 1.00 0.00 C ATOM 61 C GLY A 7 16.817 0.786 5.338 1.00 0.00 C ATOM 62 O GLY A 7 16.168 -0.217 5.633 1.00 0.00 O ATOM 0 H GLY A 7 16.346 2.043 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.312 -0.006 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.630 0.834 4.204 1.00 0.00 H new ATOM 66 N ASN A 8 16.916 1.844 6.136 1.00 0.00 N ATOM 67 CA ASN A 8 16.252 1.888 7.434 1.00 0.00 C ATOM 68 C ASN A 8 14.739 1.786 7.274 1.00 0.00 C ATOM 69 O ASN A 8 14.233 1.593 6.168 1.00 0.00 O ATOM 70 CB ASN A 8 16.613 3.178 8.172 1.00 0.00 C ATOM 71 CG ASN A 8 18.106 3.318 8.398 1.00 0.00 C ATOM 72 OD1 ASN A 8 18.764 4.152 7.777 1.00 0.00 O ATOM 73 ND2 ASN A 8 18.649 2.497 9.291 1.00 0.00 N ATOM 0 H ASN A 8 17.450 2.683 5.907 1.00 0.00 H new ATOM 0 HA ASN A 8 16.596 1.035 8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.253 4.033 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.100 3.199 9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 8 19.649 2.543 9.484 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.065 1.820 9.783 1.00 0.00 H new ATOM 80 N ASP A 9 14.022 1.918 8.385 1.00 0.00 N ATOM 81 CA ASP A 9 12.566 1.842 8.369 1.00 0.00 C ATOM 82 C ASP A 9 11.977 2.895 7.435 1.00 0.00 C ATOM 83 O ASP A 9 10.790 2.860 7.112 1.00 0.00 O ATOM 84 CB ASP A 9 12.009 2.027 9.781 1.00 0.00 C ATOM 85 CG ASP A 9 11.877 0.715 10.528 1.00 0.00 C ATOM 86 OD1 ASP A 9 10.815 0.069 10.410 1.00 0.00 O ATOM 87 OD2 ASP A 9 12.836 0.333 11.231 1.00 0.00 O ATOM 0 H ASP A 9 14.426 2.078 9.308 1.00 0.00 H new ATOM 0 HA ASP A 9 12.282 0.856 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.662 2.696 10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.033 2.509 9.723 1.00 0.00 H new ATOM 92 N ASP A 10 12.816 3.832 7.004 1.00 0.00 N ATOM 93 CA ASP A 10 12.379 4.896 6.107 1.00 0.00 C ATOM 94 C ASP A 10 12.168 4.362 4.695 1.00 0.00 C ATOM 95 O ASP A 10 11.661 5.069 3.823 1.00 0.00 O ATOM 96 CB ASP A 10 13.406 6.030 6.089 1.00 0.00 C ATOM 97 CG ASP A 10 14.602 5.714 5.213 1.00 0.00 C ATOM 98 OD1 ASP A 10 15.467 4.927 5.652 1.00 0.00 O ATOM 99 OD2 ASP A 10 14.673 6.253 4.089 1.00 0.00 O ATOM 0 H ASP A 10 13.802 3.876 7.261 1.00 0.00 H new ATOM 0 HA ASP A 10 11.429 5.282 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.929 6.943 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.746 6.225 7.106 1.00 0.00 H new ATOM 104 N ILE A 11 12.561 3.112 4.474 1.00 0.00 N ATOM 105 CA ILE A 11 12.414 2.483 3.167 1.00 0.00 C ATOM 106 C ILE A 11 10.948 2.209 2.851 1.00 0.00 C ATOM 107 O ILE A 11 10.583 1.985 1.697 1.00 0.00 O ATOM 108 CB ILE A 11 13.202 1.163 3.085 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.242 0.657 1.641 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.583 0.119 4.001 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.380 -0.302 1.369 1.00 0.00 C ATOM 0 H ILE A 11 12.984 2.514 5.184 1.00 0.00 H new ATOM 0 HA ILE A 11 12.816 3.182 2.433 1.00 0.00 H new ATOM 0 HB ILE A 11 14.225 1.346 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.298 0.163 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.327 1.510 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.151 -0.809 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.602 0.480 5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.552 -0.064 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.347 -0.620 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.330 0.195 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.285 -1.173 2.017 1.00 0.00 H new ATOM 123 N ILE A 12 10.112 2.228 3.884 1.00 0.00 N ATOM 124 CA ILE A 12 8.685 1.983 3.716 1.00 0.00 C ATOM 125 C ILE A 12 8.062 2.998 2.763 1.00 0.00 C ATOM 126 O ILE A 12 7.082 2.703 2.078 1.00 0.00 O ATOM 127 CB ILE A 12 7.942 2.037 5.064 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.504 0.986 6.023 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.449 1.827 4.855 1.00 0.00 C ATOM 130 CD1 ILE A 12 7.713 0.855 7.307 1.00 0.00 C ATOM 0 H ILE A 12 10.398 2.410 4.846 1.00 0.00 H new ATOM 0 HA ILE A 12 8.583 0.983 3.295 1.00 0.00 H new ATOM 0 HB ILE A 12 8.092 3.022 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.525 0.020 5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.535 1.242 6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.938 1.868 5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.059 2.609 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.279 0.853 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.168 0.092 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.713 1.809 7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.687 0.569 7.075 1.00 0.00 H new ATOM 142 N VAL A 13 8.637 4.196 2.725 1.00 0.00 N ATOM 143 CA VAL A 13 8.139 5.254 1.854 1.00 0.00 C ATOM 144 C VAL A 13 8.859 5.243 0.510 1.00 0.00 C ATOM 145 O VAL A 13 8.226 5.271 -0.544 1.00 0.00 O ATOM 146 CB VAL A 13 8.310 6.641 2.503 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.911 7.739 1.529 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.494 6.732 3.784 1.00 0.00 C ATOM 0 H VAL A 13 9.447 4.458 3.287 1.00 0.00 H new ATOM 0 HA VAL A 13 7.078 5.062 1.697 1.00 0.00 H new ATOM 0 HB VAL A 13 9.361 6.778 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.038 8.711 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.541 7.684 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.867 7.609 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.626 7.718 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.440 6.575 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.831 5.969 4.485 1.00 0.00 H new ATOM 158 N ASN A 14 10.187 5.202 0.556 1.00 0.00 N ATOM 159 CA ASN A 14 10.993 5.187 -0.659 1.00 0.00 C ATOM 160 C ASN A 14 10.543 4.072 -1.598 1.00 0.00 C ATOM 161 O ASN A 14 10.246 4.314 -2.768 1.00 0.00 O ATOM 162 CB ASN A 14 12.473 5.011 -0.312 1.00 0.00 C ATOM 163 CG ASN A 14 13.186 6.336 -0.129 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.366 6.807 0.994 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.596 6.945 -1.236 1.00 0.00 N ATOM 0 H ASN A 14 10.727 5.179 1.421 1.00 0.00 H new ATOM 0 HA ASN A 14 10.857 6.142 -1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.562 4.425 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.964 4.444 -1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.082 7.840 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.425 6.518 -2.146 1.00 0.00 H new ATOM 172 N TRP A 15 10.493 2.852 -1.076 1.00 0.00 N ATOM 173 CA TRP A 15 10.079 1.699 -1.868 1.00 0.00 C ATOM 174 C TRP A 15 8.761 1.976 -2.582 1.00 0.00 C ATOM 175 O TRP A 15 8.722 2.106 -3.806 1.00 0.00 O ATOM 176 CB TRP A 15 9.940 0.465 -0.975 1.00 0.00 C ATOM 177 CG TRP A 15 9.624 -0.787 -1.736 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.411 -1.399 -2.670 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.435 -1.577 -1.630 1.00 0.00 C ATOM 180 NE1 TRP A 15 9.784 -2.523 -3.150 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.570 -2.655 -2.528 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.271 -1.481 -0.863 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.584 -3.625 -2.678 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.293 -2.446 -1.013 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.454 -3.506 -1.914 1.00 0.00 C ATOM 0 H TRP A 15 10.734 2.635 -0.109 1.00 0.00 H new ATOM 0 HA TRP A 15 10.846 1.510 -2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.867 0.320 -0.421 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.154 0.643 -0.241 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.383 -1.050 -2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.161 -3.157 -3.855 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.138 -0.667 -0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.706 -4.443 -3.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.389 -2.382 -0.425 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.671 -4.244 -2.008 1.00 0.00 H new ATOM 196 N VAL A 16 7.681 2.063 -1.811 1.00 0.00 N ATOM 197 CA VAL A 16 6.360 2.325 -2.370 1.00 0.00 C ATOM 198 C VAL A 16 6.446 3.273 -3.562 1.00 0.00 C ATOM 199 O VAL A 16 5.933 2.979 -4.640 1.00 0.00 O ATOM 200 CB VAL A 16 5.414 2.928 -1.315 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.061 3.247 -1.933 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.260 1.981 -0.135 1.00 0.00 C ATOM 0 H VAL A 16 7.695 1.956 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 16 5.960 1.366 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 16 5.849 3.858 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.405 3.672 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.191 3.965 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.616 2.333 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.588 2.423 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.847 1.033 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.234 1.807 0.322 1.00 0.00 H new ATOM 212 N ASN A 17 7.101 4.412 -3.358 1.00 0.00 N ATOM 213 CA ASN A 17 7.255 5.404 -4.415 1.00 0.00 C ATOM 214 C ASN A 17 7.868 4.778 -5.664 1.00 0.00 C ATOM 215 O ASN A 17 7.301 4.861 -6.754 1.00 0.00 O ATOM 216 CB ASN A 17 8.128 6.564 -3.932 1.00 0.00 C ATOM 217 CG ASN A 17 7.331 7.612 -3.177 1.00 0.00 C ATOM 218 OD1 ASN A 17 6.715 8.492 -3.780 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.340 7.521 -1.853 1.00 0.00 N ATOM 0 H ASN A 17 7.533 4.670 -2.471 1.00 0.00 H new ATOM 0 HA ASN A 17 6.265 5.784 -4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.917 6.177 -3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.616 7.029 -4.789 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.822 8.197 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.865 6.775 -1.397 1.00 0.00 H new ATOM 226 N GLU A 18 9.028 4.151 -5.497 1.00 0.00 N ATOM 227 CA GLU A 18 9.717 3.511 -6.610 1.00 0.00 C ATOM 228 C GLU A 18 8.826 2.465 -7.273 1.00 0.00 C ATOM 229 O GLU A 18 8.480 2.581 -8.449 1.00 0.00 O ATOM 230 CB GLU A 18 11.016 2.860 -6.129 1.00 0.00 C ATOM 231 CG GLU A 18 12.207 3.803 -6.128 1.00 0.00 C ATOM 232 CD GLU A 18 13.475 3.140 -5.629 1.00 0.00 C ATOM 233 OE1 GLU A 18 14.049 2.318 -6.374 1.00 0.00 O ATOM 234 OE2 GLU A 18 13.896 3.443 -4.493 1.00 0.00 O ATOM 0 H GLU A 18 9.510 4.073 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 18 9.955 4.279 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.867 2.475 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.241 2.005 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.370 4.177 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.982 4.666 -5.501 1.00 0.00 H new ATOM 241 N THR A 19 8.458 1.440 -6.510 1.00 0.00 N ATOM 242 CA THR A 19 7.609 0.372 -7.022 1.00 0.00 C ATOM 243 C THR A 19 6.546 0.920 -7.968 1.00 0.00 C ATOM 244 O THR A 19 6.273 0.335 -9.017 1.00 0.00 O ATOM 245 CB THR A 19 6.917 -0.392 -5.879 1.00 0.00 C ATOM 246 OG1 THR A 19 7.898 -1.017 -5.043 1.00 0.00 O ATOM 247 CG2 THR A 19 5.967 -1.446 -6.429 1.00 0.00 C ATOM 0 H THR A 19 8.735 1.327 -5.535 1.00 0.00 H new ATOM 0 HA THR A 19 8.258 -0.314 -7.567 1.00 0.00 H new ATOM 0 HB THR A 19 6.341 0.322 -5.291 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.456 -1.429 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.490 -1.973 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.204 -0.965 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.525 -2.157 -7.038 1.00 0.00 H new ATOM 255 N LEU A 20 5.950 2.046 -7.591 1.00 0.00 N ATOM 256 CA LEU A 20 4.916 2.673 -8.407 1.00 0.00 C ATOM 257 C LEU A 20 5.521 3.322 -9.648 1.00 0.00 C ATOM 258 O LEU A 20 5.052 3.104 -10.766 1.00 0.00 O ATOM 259 CB LEU A 20 4.159 3.722 -7.589 1.00 0.00 C ATOM 260 CG LEU A 20 3.379 3.196 -6.383 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.255 4.274 -5.317 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.004 2.705 -6.811 1.00 0.00 C ATOM 0 H LEU A 20 6.165 2.543 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 20 4.220 1.897 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.874 4.466 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.463 4.237 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 20 3.927 2.355 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.697 3.882 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.249 4.578 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.730 5.135 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.463 2.334 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.448 3.527 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.115 1.901 -7.539 1.00 0.00 H new ATOM 274 N ARG A 21 6.566 4.117 -9.445 1.00 0.00 N ATOM 275 CA ARG A 21 7.237 4.795 -10.548 1.00 0.00 C ATOM 276 C ARG A 21 7.642 3.800 -11.632 1.00 0.00 C ATOM 277 O ARG A 21 7.417 4.037 -12.819 1.00 0.00 O ATOM 278 CB ARG A 21 8.471 5.543 -10.041 1.00 0.00 C ATOM 279 CG ARG A 21 9.060 6.506 -11.057 1.00 0.00 C ATOM 280 CD ARG A 21 9.799 7.649 -10.379 1.00 0.00 C ATOM 281 NE ARG A 21 10.725 8.319 -11.290 1.00 0.00 N ATOM 282 CZ ARG A 21 11.870 7.784 -11.698 1.00 0.00 C ATOM 283 NH1 ARG A 21 12.228 6.578 -11.280 1.00 0.00 N ATOM 284 NH2 ARG A 21 12.659 8.455 -12.527 1.00 0.00 N ATOM 0 H ARG A 21 6.967 4.308 -8.527 1.00 0.00 H new ATOM 0 HA ARG A 21 6.538 5.512 -10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.205 6.096 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.233 4.818 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.743 5.969 -11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.264 6.907 -11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.078 8.372 -9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.349 7.266 -9.520 1.00 0.00 H new ATOM 0 HE ARG A 21 10.478 9.248 -11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.623 6.059 -10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.108 6.169 -11.595 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.386 9.383 -12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.538 8.043 -12.840 1.00 0.00 H new ATOM 298 N GLU A 22 8.239 2.689 -11.216 1.00 0.00 N ATOM 299 CA GLU A 22 8.677 1.660 -12.152 1.00 0.00 C ATOM 300 C GLU A 22 7.540 1.257 -13.087 1.00 0.00 C ATOM 301 O GLU A 22 7.741 1.086 -14.289 1.00 0.00 O ATOM 302 CB GLU A 22 9.187 0.433 -11.394 1.00 0.00 C ATOM 303 CG GLU A 22 10.374 0.726 -10.490 1.00 0.00 C ATOM 304 CD GLU A 22 11.700 0.628 -11.219 1.00 0.00 C ATOM 305 OE1 GLU A 22 11.779 -0.134 -12.206 1.00 0.00 O ATOM 306 OE2 GLU A 22 12.658 1.311 -10.803 1.00 0.00 O ATOM 0 H GLU A 22 8.431 2.478 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 22 9.490 2.071 -12.751 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.375 0.024 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.469 -0.336 -12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.268 1.726 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.371 0.027 -9.654 1.00 0.00 H new ATOM 313 N ALA A 23 6.345 1.107 -12.525 1.00 0.00 N ATOM 314 CA ALA A 23 5.175 0.726 -13.307 1.00 0.00 C ATOM 315 C ALA A 23 4.518 1.946 -13.943 1.00 0.00 C ATOM 316 O ALA A 23 3.636 1.816 -14.791 1.00 0.00 O ATOM 317 CB ALA A 23 4.176 -0.019 -12.435 1.00 0.00 C ATOM 0 H ALA A 23 6.162 1.244 -11.531 1.00 0.00 H new ATOM 0 HA ALA A 23 5.505 0.065 -14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.308 -0.297 -13.033 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.643 -0.918 -12.033 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.860 0.624 -11.613 1.00 0.00 H new ATOM 323 N GLU A 24 4.954 3.131 -13.526 1.00 0.00 N ATOM 324 CA GLU A 24 4.405 4.375 -14.055 1.00 0.00 C ATOM 325 C GLU A 24 3.010 4.635 -13.496 1.00 0.00 C ATOM 326 O GLU A 24 2.129 5.133 -14.198 1.00 0.00 O ATOM 327 CB GLU A 24 4.353 4.326 -15.584 1.00 0.00 C ATOM 328 CG GLU A 24 5.593 3.717 -16.215 1.00 0.00 C ATOM 329 CD GLU A 24 6.669 4.749 -16.498 1.00 0.00 C ATOM 330 OE1 GLU A 24 6.337 5.811 -17.065 1.00 0.00 O ATOM 331 OE2 GLU A 24 7.842 4.493 -16.153 1.00 0.00 O ATOM 0 H GLU A 24 5.684 3.256 -12.825 1.00 0.00 H new ATOM 0 HA GLU A 24 5.059 5.191 -13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.479 3.751 -15.891 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.220 5.338 -15.967 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.995 2.951 -15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.317 3.221 -17.145 1.00 0.00 H new ATOM 338 N LYS A 25 2.814 4.295 -12.226 1.00 0.00 N ATOM 339 CA LYS A 25 1.527 4.491 -11.570 1.00 0.00 C ATOM 340 C LYS A 25 1.336 5.952 -11.175 1.00 0.00 C ATOM 341 O LYS A 25 2.300 6.657 -10.878 1.00 0.00 O ATOM 342 CB LYS A 25 1.422 3.599 -10.331 1.00 0.00 C ATOM 343 CG LYS A 25 0.730 2.273 -10.594 1.00 0.00 C ATOM 344 CD LYS A 25 1.375 1.526 -11.750 1.00 0.00 C ATOM 345 CE LYS A 25 0.607 0.259 -12.093 1.00 0.00 C ATOM 346 NZ LYS A 25 0.722 -0.085 -13.538 1.00 0.00 N ATOM 0 H LYS A 25 3.532 3.882 -11.630 1.00 0.00 H new ATOM 0 HA LYS A 25 0.742 4.217 -12.275 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.423 3.407 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.879 4.135 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.768 1.657 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.323 2.449 -10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.418 2.175 -12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.403 1.271 -11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.984 -0.568 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.444 0.389 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.185 0.101 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.466 0.495 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.965 -1.091 -13.637 1.00 0.00 H new ATOM 360 N SER A 26 0.083 6.400 -11.173 1.00 0.00 N ATOM 361 CA SER A 26 -0.234 7.778 -10.816 1.00 0.00 C ATOM 362 C SER A 26 -0.373 7.930 -9.304 1.00 0.00 C ATOM 363 O SER A 26 -0.737 8.995 -8.807 1.00 0.00 O ATOM 364 CB SER A 26 -1.526 8.220 -11.505 1.00 0.00 C ATOM 365 OG SER A 26 -2.665 7.749 -10.804 1.00 0.00 O ATOM 0 H SER A 26 -0.727 5.829 -11.414 1.00 0.00 H new ATOM 0 HA SER A 26 0.586 8.413 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.556 9.308 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.543 7.844 -12.528 1.00 0.00 H new ATOM 0 HG SER A 26 -3.478 8.046 -11.263 1.00 0.00 H new ATOM 371 N SER A 27 -0.078 6.855 -8.578 1.00 0.00 N ATOM 372 CA SER A 27 -0.173 6.866 -7.124 1.00 0.00 C ATOM 373 C SER A 27 1.197 7.088 -6.491 1.00 0.00 C ATOM 374 O SER A 27 2.221 6.686 -7.044 1.00 0.00 O ATOM 375 CB SER A 27 -0.773 5.552 -6.620 1.00 0.00 C ATOM 376 OG SER A 27 -2.048 5.322 -7.192 1.00 0.00 O ATOM 0 H SER A 27 0.229 5.966 -8.974 1.00 0.00 H new ATOM 0 HA SER A 27 -0.826 7.690 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.106 4.726 -6.866 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.858 5.580 -5.534 1.00 0.00 H new ATOM 0 HG SER A 27 -2.492 4.589 -6.717 1.00 0.00 H new ATOM 382 N SER A 28 1.209 7.733 -5.329 1.00 0.00 N ATOM 383 CA SER A 28 2.453 8.013 -4.621 1.00 0.00 C ATOM 384 C SER A 28 2.175 8.637 -3.257 1.00 0.00 C ATOM 385 O SER A 28 1.121 9.235 -3.041 1.00 0.00 O ATOM 386 CB SER A 28 3.336 8.947 -5.451 1.00 0.00 C ATOM 387 OG SER A 28 2.723 10.214 -5.619 1.00 0.00 O ATOM 0 H SER A 28 0.370 8.072 -4.857 1.00 0.00 H new ATOM 0 HA SER A 28 2.976 7.069 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.302 9.069 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.527 8.500 -6.427 1.00 0.00 H new ATOM 0 HG SER A 28 3.308 10.793 -6.151 1.00 0.00 H new ATOM 393 N ILE A 29 3.127 8.491 -2.342 1.00 0.00 N ATOM 394 CA ILE A 29 2.986 9.040 -0.999 1.00 0.00 C ATOM 395 C ILE A 29 4.162 9.943 -0.647 1.00 0.00 C ATOM 396 O ILE A 29 5.255 9.797 -1.195 1.00 0.00 O ATOM 397 CB ILE A 29 2.875 7.925 0.056 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.929 6.846 -0.197 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.479 7.321 0.045 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.380 6.133 1.059 1.00 0.00 C ATOM 0 H ILE A 29 4.004 7.997 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 29 2.067 9.627 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 29 3.054 8.358 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.526 6.113 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.795 7.301 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.417 6.534 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.746 8.096 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.273 6.900 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.127 5.382 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.813 6.855 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.525 5.648 1.529 1.00 0.00 H new ATOM 412 N SER A 30 3.933 10.875 0.271 1.00 0.00 N ATOM 413 CA SER A 30 4.975 11.804 0.696 1.00 0.00 C ATOM 414 C SER A 30 5.551 11.392 2.046 1.00 0.00 C ATOM 415 O SER A 30 6.745 11.558 2.300 1.00 0.00 O ATOM 416 CB SER A 30 4.417 13.226 0.779 1.00 0.00 C ATOM 417 OG SER A 30 3.788 13.599 -0.436 1.00 0.00 O ATOM 0 H SER A 30 3.035 11.008 0.736 1.00 0.00 H new ATOM 0 HA SER A 30 5.775 11.778 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.701 13.292 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.223 13.924 1.004 1.00 0.00 H new ATOM 0 HG SER A 30 3.438 14.511 -0.357 1.00 0.00 H new ATOM 423 N SER A 31 4.696 10.855 2.910 1.00 0.00 N ATOM 424 CA SER A 31 5.119 10.421 4.236 1.00 0.00 C ATOM 425 C SER A 31 4.098 9.468 4.848 1.00 0.00 C ATOM 426 O SER A 31 3.002 9.288 4.315 1.00 0.00 O ATOM 427 CB SER A 31 5.315 11.631 5.152 1.00 0.00 C ATOM 428 OG SER A 31 6.313 11.378 6.125 1.00 0.00 O ATOM 0 H SER A 31 3.705 10.710 2.715 1.00 0.00 H new ATOM 0 HA SER A 31 6.067 9.893 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.595 12.500 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.374 11.873 5.646 1.00 0.00 H new ATOM 0 HG SER A 31 6.420 12.167 6.696 1.00 0.00 H new ATOM 434 N PHE A 32 4.465 8.857 5.969 1.00 0.00 N ATOM 435 CA PHE A 32 3.583 7.920 6.655 1.00 0.00 C ATOM 436 C PHE A 32 2.191 8.518 6.838 1.00 0.00 C ATOM 437 O PHE A 32 1.196 7.795 6.906 1.00 0.00 O ATOM 438 CB PHE A 32 4.169 7.535 8.014 1.00 0.00 C ATOM 439 CG PHE A 32 5.193 6.439 7.938 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.829 5.158 7.554 1.00 0.00 C ATOM 441 CD2 PHE A 32 6.519 6.689 8.250 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.769 4.148 7.485 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.464 5.684 8.182 1.00 0.00 C ATOM 444 CZ PHE A 32 7.089 4.411 7.797 1.00 0.00 C ATOM 0 H PHE A 32 5.368 8.994 6.422 1.00 0.00 H new ATOM 0 HA PHE A 32 3.496 7.025 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.624 8.416 8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.360 7.220 8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.799 4.947 7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.818 7.682 8.550 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.472 3.153 7.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.494 5.893 8.429 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.826 3.624 7.740 1.00 0.00 H new ATOM 454 N LYS A 33 2.129 9.843 6.918 1.00 0.00 N ATOM 455 CA LYS A 33 0.861 10.541 7.093 1.00 0.00 C ATOM 456 C LYS A 33 0.430 11.220 5.796 1.00 0.00 C ATOM 457 O LYS A 33 -0.020 12.366 5.805 1.00 0.00 O ATOM 458 CB LYS A 33 0.977 11.578 8.211 1.00 0.00 C ATOM 459 CG LYS A 33 0.772 11.001 9.601 1.00 0.00 C ATOM 460 CD LYS A 33 -0.690 11.041 10.012 1.00 0.00 C ATOM 461 CE LYS A 33 -1.018 12.309 10.786 1.00 0.00 C ATOM 462 NZ LYS A 33 -0.218 12.416 12.038 1.00 0.00 N ATOM 0 H LYS A 33 2.943 10.455 6.864 1.00 0.00 H new ATOM 0 HA LYS A 33 0.104 9.806 7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.961 12.044 8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.243 12.366 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.129 9.972 9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.368 11.562 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.320 10.982 9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.921 10.170 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.827 13.178 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.080 12.321 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.748 12.968 12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.031 11.464 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.684 12.891 11.834 1.00 0.00 H new ATOM 476 N ASP A 34 0.570 10.506 4.685 1.00 0.00 N ATOM 477 CA ASP A 34 0.193 11.039 3.382 1.00 0.00 C ATOM 478 C ASP A 34 -1.322 11.021 3.204 1.00 0.00 C ATOM 479 O ASP A 34 -2.006 10.078 3.604 1.00 0.00 O ATOM 480 CB ASP A 34 0.860 10.234 2.265 1.00 0.00 C ATOM 481 CG ASP A 34 0.126 10.358 0.944 1.00 0.00 C ATOM 482 OD1 ASP A 34 -0.959 9.754 0.809 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.636 11.058 0.045 1.00 0.00 O ATOM 0 H ASP A 34 0.942 9.557 4.661 1.00 0.00 H new ATOM 0 HA ASP A 34 0.534 12.073 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.888 10.575 2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.905 9.184 2.555 1.00 0.00 H new ATOM 488 N PRO A 35 -1.859 12.085 2.592 1.00 0.00 N ATOM 489 CA PRO A 35 -3.299 12.215 2.348 1.00 0.00 C ATOM 490 C PRO A 35 -3.800 11.233 1.293 1.00 0.00 C ATOM 491 O PRO A 35 -4.875 10.651 1.433 1.00 0.00 O ATOM 492 CB PRO A 35 -3.447 13.656 1.850 1.00 0.00 C ATOM 493 CG PRO A 35 -2.118 13.992 1.268 1.00 0.00 C ATOM 494 CD PRO A 35 -1.104 13.245 2.089 1.00 0.00 C ATOM 0 HA PRO A 35 -3.884 11.996 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.238 13.738 1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.705 14.332 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.065 13.697 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.936 15.066 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.248 12.937 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.718 13.857 2.904 1.00 0.00 H new ATOM 502 N LYS A 36 -3.013 11.054 0.239 1.00 0.00 N ATOM 503 CA LYS A 36 -3.374 10.141 -0.840 1.00 0.00 C ATOM 504 C LYS A 36 -3.753 8.771 -0.289 1.00 0.00 C ATOM 505 O LYS A 36 -4.559 8.054 -0.882 1.00 0.00 O ATOM 506 CB LYS A 36 -2.214 10.002 -1.829 1.00 0.00 C ATOM 507 CG LYS A 36 -1.721 11.329 -2.378 1.00 0.00 C ATOM 508 CD LYS A 36 -2.702 11.919 -3.376 1.00 0.00 C ATOM 509 CE LYS A 36 -1.994 12.774 -4.416 1.00 0.00 C ATOM 510 NZ LYS A 36 -1.122 11.956 -5.304 1.00 0.00 N ATOM 0 H LYS A 36 -2.120 11.529 0.108 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.238 10.556 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.386 9.492 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.529 9.369 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.570 12.030 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.753 11.188 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.245 11.115 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.440 12.523 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.734 13.301 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.393 13.533 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.985 12.452 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.200 11.810 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.572 11.035 -5.479 1.00 0.00 H new ATOM 524 N ILE A 37 -3.168 8.414 0.849 1.00 0.00 N ATOM 525 CA ILE A 37 -3.448 7.130 1.482 1.00 0.00 C ATOM 526 C ILE A 37 -4.930 6.988 1.806 1.00 0.00 C ATOM 527 O ILE A 37 -5.469 5.882 1.825 1.00 0.00 O ATOM 528 CB ILE A 37 -2.631 6.950 2.775 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.140 6.832 2.451 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.111 5.725 3.539 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.278 6.559 3.664 1.00 0.00 C ATOM 0 H ILE A 37 -2.497 8.995 1.352 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.160 6.357 0.769 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.778 7.828 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.996 6.031 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.805 7.755 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.524 5.611 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.163 5.847 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.991 4.838 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.766 6.488 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.392 7.371 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.586 5.621 4.126 1.00 0.00 H new ATOM 543 N SER A 38 -5.586 8.116 2.059 1.00 0.00 N ATOM 544 CA SER A 38 -7.007 8.118 2.385 1.00 0.00 C ATOM 545 C SER A 38 -7.818 7.445 1.282 1.00 0.00 C ATOM 546 O SER A 38 -8.795 6.745 1.551 1.00 0.00 O ATOM 547 CB SER A 38 -7.502 9.551 2.597 1.00 0.00 C ATOM 548 OG SER A 38 -7.407 10.305 1.401 1.00 0.00 O ATOM 0 H SER A 38 -5.156 9.041 2.044 1.00 0.00 H new ATOM 0 HA SER A 38 -7.144 7.554 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.537 9.535 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.915 10.030 3.380 1.00 0.00 H new ATOM 0 HG SER A 38 -6.588 10.842 1.417 1.00 0.00 H new ATOM 554 N THR A 39 -7.407 7.665 0.036 1.00 0.00 N ATOM 555 CA THR A 39 -8.095 7.083 -1.109 1.00 0.00 C ATOM 556 C THR A 39 -7.590 5.673 -1.394 1.00 0.00 C ATOM 557 O THR A 39 -8.157 4.955 -2.218 1.00 0.00 O ATOM 558 CB THR A 39 -7.912 7.945 -2.371 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.520 8.181 -2.608 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.640 9.274 -2.228 1.00 0.00 C ATOM 0 H THR A 39 -6.601 8.242 -0.205 1.00 0.00 H new ATOM 0 HA THR A 39 -9.154 7.043 -0.855 1.00 0.00 H new ATOM 0 HB THR A 39 -8.336 7.405 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.990 7.739 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.497 9.866 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.704 9.092 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.241 9.817 -1.371 1.00 0.00 H new ATOM 568 N SER A 40 -6.522 5.280 -0.708 1.00 0.00 N ATOM 569 CA SER A 40 -5.938 3.957 -0.890 1.00 0.00 C ATOM 570 C SER A 40 -5.296 3.831 -2.267 1.00 0.00 C ATOM 571 O SER A 40 -5.185 2.733 -2.816 1.00 0.00 O ATOM 572 CB SER A 40 -7.007 2.877 -0.713 1.00 0.00 C ATOM 573 OG SER A 40 -7.765 3.097 0.464 1.00 0.00 O ATOM 0 H SER A 40 -6.043 5.860 -0.020 1.00 0.00 H new ATOM 0 HA SER A 40 -5.164 3.821 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.669 2.870 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.533 1.896 -0.666 1.00 0.00 H new ATOM 0 HG SER A 40 -8.442 2.394 0.553 1.00 0.00 H new ATOM 579 N LEU A 41 -4.875 4.962 -2.822 1.00 0.00 N ATOM 580 CA LEU A 41 -4.243 4.981 -4.137 1.00 0.00 C ATOM 581 C LEU A 41 -2.872 4.312 -4.093 1.00 0.00 C ATOM 582 O LEU A 41 -2.574 3.398 -4.861 1.00 0.00 O ATOM 583 CB LEU A 41 -4.104 6.420 -4.638 1.00 0.00 C ATOM 584 CG LEU A 41 -5.328 7.006 -5.341 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.066 8.445 -5.758 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.707 6.160 -6.548 1.00 0.00 C ATOM 0 H LEU A 41 -4.960 5.878 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.878 4.423 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.858 7.057 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.259 6.464 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.163 6.998 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.948 8.846 -6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.844 9.045 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.217 8.477 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.581 6.593 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.874 6.135 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.938 5.146 -6.223 1.00 0.00 H new ATOM 598 N PRO A 42 -2.018 4.775 -3.168 1.00 0.00 N ATOM 599 CA PRO A 42 -0.666 4.234 -2.998 1.00 0.00 C ATOM 600 C PRO A 42 -0.675 2.821 -2.424 1.00 0.00 C ATOM 601 O PRO A 42 0.289 2.071 -2.579 1.00 0.00 O ATOM 602 CB PRO A 42 -0.015 5.207 -2.013 1.00 0.00 C ATOM 603 CG PRO A 42 -1.154 5.794 -1.252 1.00 0.00 C ATOM 604 CD PRO A 42 -2.305 5.862 -2.217 1.00 0.00 C ATOM 0 HA PRO A 42 -0.138 4.152 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.681 4.693 -1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.552 5.978 -2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.405 5.178 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.902 6.785 -0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.260 5.714 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.354 6.830 -2.716 1.00 0.00 H new ATOM 612 N VAL A 43 -1.769 2.465 -1.760 1.00 0.00 N ATOM 613 CA VAL A 43 -1.904 1.141 -1.163 1.00 0.00 C ATOM 614 C VAL A 43 -2.477 0.143 -2.164 1.00 0.00 C ATOM 615 O VAL A 43 -2.175 -1.051 -2.109 1.00 0.00 O ATOM 616 CB VAL A 43 -2.808 1.176 0.084 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.636 -0.094 0.904 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.506 2.407 0.926 1.00 0.00 C ATOM 0 H VAL A 43 -2.575 3.074 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.904 0.824 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.846 1.232 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.282 -0.051 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.905 -0.958 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.598 -0.183 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.154 2.416 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.464 2.383 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.684 3.305 0.334 1.00 0.00 H new ATOM 628 N LEU A 44 -3.305 0.638 -3.077 1.00 0.00 N ATOM 629 CA LEU A 44 -3.921 -0.210 -4.091 1.00 0.00 C ATOM 630 C LEU A 44 -2.981 -0.410 -5.277 1.00 0.00 C ATOM 631 O LEU A 44 -2.806 -1.529 -5.760 1.00 0.00 O ATOM 632 CB LEU A 44 -5.237 0.406 -4.568 1.00 0.00 C ATOM 633 CG LEU A 44 -6.412 0.315 -3.593 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.556 1.207 -4.052 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.880 -1.126 -3.454 1.00 0.00 C ATOM 0 H LEU A 44 -3.565 1.622 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.124 -1.183 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.061 1.457 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.526 -0.080 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.076 0.662 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.383 1.130 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.215 2.241 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.891 0.890 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.716 -1.171 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.198 -1.501 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.061 -1.740 -3.079 1.00 0.00 H new ATOM 647 N ASP A 45 -2.379 0.680 -5.738 1.00 0.00 N ATOM 648 CA ASP A 45 -1.454 0.624 -6.864 1.00 0.00 C ATOM 649 C ASP A 45 -0.165 -0.094 -6.475 1.00 0.00 C ATOM 650 O ASP A 45 0.413 -0.831 -7.275 1.00 0.00 O ATOM 651 CB ASP A 45 -1.136 2.035 -7.361 1.00 0.00 C ATOM 652 CG ASP A 45 -2.125 2.519 -8.403 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.310 2.135 -8.320 1.00 0.00 O ATOM 654 OD2 ASP A 45 -1.713 3.281 -9.304 1.00 0.00 O ATOM 0 H ASP A 45 -2.515 1.613 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.932 0.063 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.137 2.723 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.131 2.050 -7.783 1.00 0.00 H new ATOM 659 N LEU A 46 0.278 0.125 -5.242 1.00 0.00 N ATOM 660 CA LEU A 46 1.499 -0.501 -4.746 1.00 0.00 C ATOM 661 C LEU A 46 1.420 -2.019 -4.866 1.00 0.00 C ATOM 662 O LEU A 46 2.420 -2.682 -5.143 1.00 0.00 O ATOM 663 CB LEU A 46 1.743 -0.104 -3.289 1.00 0.00 C ATOM 664 CG LEU A 46 2.791 -0.926 -2.536 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.119 -0.905 -3.277 1.00 0.00 C ATOM 666 CD2 LEU A 46 2.960 -0.401 -1.118 1.00 0.00 C ATOM 0 H LEU A 46 -0.189 0.731 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 46 2.332 -0.150 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.045 0.943 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.798 -0.176 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 46 2.446 -1.959 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.852 -1.495 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.987 -1.328 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.471 0.123 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.709 -0.997 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.283 0.640 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.009 -0.469 -0.589 1.00 0.00 H new ATOM 678 N ILE A 47 0.225 -2.563 -4.655 1.00 0.00 N ATOM 679 CA ILE A 47 0.015 -4.002 -4.742 1.00 0.00 C ATOM 680 C ILE A 47 0.157 -4.492 -6.179 1.00 0.00 C ATOM 681 O ILE A 47 1.027 -5.307 -6.485 1.00 0.00 O ATOM 682 CB ILE A 47 -1.372 -4.401 -4.208 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.457 -4.148 -2.702 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.660 -5.862 -4.522 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.875 -4.045 -2.185 1.00 0.00 C ATOM 0 H ILE A 47 -0.612 -2.028 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 47 0.781 -4.471 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.125 -3.787 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.945 -4.955 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.925 -3.226 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.644 -6.129 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.638 -6.013 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.904 -6.491 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.858 -3.865 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.385 -3.220 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.405 -4.975 -2.389 1.00 0.00 H new ATOM 697 N ASP A 48 -0.704 -3.989 -7.057 1.00 0.00 N ATOM 698 CA ASP A 48 -0.674 -4.373 -8.463 1.00 0.00 C ATOM 699 C ASP A 48 0.734 -4.238 -9.033 1.00 0.00 C ATOM 700 O ASP A 48 1.221 -5.131 -9.727 1.00 0.00 O ATOM 701 CB ASP A 48 -1.649 -3.514 -9.270 1.00 0.00 C ATOM 702 CG ASP A 48 -0.992 -2.271 -9.837 1.00 0.00 C ATOM 703 OD1 ASP A 48 -0.142 -2.410 -10.742 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.329 -1.160 -9.378 1.00 0.00 O ATOM 0 H ASP A 48 -1.431 -3.314 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.977 -5.417 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.062 -4.107 -10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.484 -3.222 -8.633 1.00 0.00 H new ATOM 709 N ALA A 49 1.382 -3.116 -8.738 1.00 0.00 N ATOM 710 CA ALA A 49 2.734 -2.865 -9.220 1.00 0.00 C ATOM 711 C ALA A 49 3.570 -4.141 -9.203 1.00 0.00 C ATOM 712 O ALA A 49 4.278 -4.443 -10.164 1.00 0.00 O ATOM 713 CB ALA A 49 3.401 -1.784 -8.382 1.00 0.00 C ATOM 0 H ALA A 49 0.992 -2.366 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 49 2.666 -2.520 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.410 -1.607 -8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.823 -0.863 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.448 -2.107 -7.342 1.00 0.00 H new ATOM 719 N ILE A 50 3.482 -4.885 -8.106 1.00 0.00 N ATOM 720 CA ILE A 50 4.229 -6.128 -7.966 1.00 0.00 C ATOM 721 C ILE A 50 3.542 -7.270 -8.707 1.00 0.00 C ATOM 722 O ILE A 50 4.166 -7.969 -9.505 1.00 0.00 O ATOM 723 CB ILE A 50 4.397 -6.520 -6.486 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.932 -5.334 -5.679 1.00 0.00 C ATOM 725 CG2 ILE A 50 5.327 -7.718 -6.357 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.880 -5.550 -4.183 1.00 0.00 C ATOM 0 H ILE A 50 2.901 -4.649 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 50 5.213 -5.955 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 50 3.422 -6.797 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.963 -5.139 -5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.355 -4.444 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.436 -7.983 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.909 -8.564 -6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.304 -7.467 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.274 -4.670 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.848 -5.715 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.481 -6.421 -3.920 1.00 0.00 H new ATOM 738 N GLN A 51 2.253 -7.451 -8.439 1.00 0.00 N ATOM 739 CA GLN A 51 1.480 -8.507 -9.083 1.00 0.00 C ATOM 740 C GLN A 51 0.381 -7.920 -9.962 1.00 0.00 C ATOM 741 O GLN A 51 -0.694 -7.549 -9.491 1.00 0.00 O ATOM 742 CB GLN A 51 0.867 -9.432 -8.030 1.00 0.00 C ATOM 743 CG GLN A 51 -0.062 -10.486 -8.612 1.00 0.00 C ATOM 744 CD GLN A 51 0.673 -11.742 -9.034 1.00 0.00 C ATOM 745 OE1 GLN A 51 0.848 -12.005 -10.224 1.00 0.00 O ATOM 746 NE2 GLN A 51 1.109 -12.529 -8.057 1.00 0.00 N ATOM 0 H GLN A 51 1.722 -6.881 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 51 2.156 -9.083 -9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.669 -9.928 -7.484 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.314 -8.831 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.820 -10.744 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.585 -10.069 -9.473 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.943 -12.274 -7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.610 -13.389 -8.280 1.00 0.00 H new ATOM 755 N PRO A 52 0.657 -7.831 -11.272 1.00 0.00 N ATOM 756 CA PRO A 52 -0.296 -7.289 -12.246 1.00 0.00 C ATOM 757 C PRO A 52 -1.493 -8.209 -12.459 1.00 0.00 C ATOM 758 O PRO A 52 -1.336 -9.377 -12.812 1.00 0.00 O ATOM 759 CB PRO A 52 0.531 -7.181 -13.529 1.00 0.00 C ATOM 760 CG PRO A 52 1.606 -8.201 -13.374 1.00 0.00 C ATOM 761 CD PRO A 52 1.918 -8.253 -11.904 1.00 0.00 C ATOM 0 HA PRO A 52 -0.722 -6.341 -11.916 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.079 -7.379 -14.411 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.948 -6.181 -13.648 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.276 -9.174 -13.738 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.489 -7.928 -13.951 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.209 -9.256 -11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.740 -7.587 -11.644 1.00 0.00 H new ATOM 769 N GLY A 53 -2.691 -7.674 -12.243 1.00 0.00 N ATOM 770 CA GLY A 53 -3.898 -8.462 -12.417 1.00 0.00 C ATOM 771 C GLY A 53 -4.776 -8.458 -11.181 1.00 0.00 C ATOM 772 O GLY A 53 -5.997 -8.347 -11.280 1.00 0.00 O ATOM 0 H GLY A 53 -2.847 -6.709 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.464 -8.072 -13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.626 -9.489 -12.662 1.00 0.00 H new ATOM 776 N SER A 54 -4.152 -8.581 -10.014 1.00 0.00 N ATOM 777 CA SER A 54 -4.886 -8.598 -8.754 1.00 0.00 C ATOM 778 C SER A 54 -5.852 -7.420 -8.672 1.00 0.00 C ATOM 779 O SER A 54 -7.067 -7.604 -8.590 1.00 0.00 O ATOM 780 CB SER A 54 -3.914 -8.557 -7.573 1.00 0.00 C ATOM 781 OG SER A 54 -2.984 -7.498 -7.714 1.00 0.00 O ATOM 0 H SER A 54 -3.141 -8.670 -9.915 1.00 0.00 H new ATOM 0 HA SER A 54 -5.462 -9.522 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.471 -8.435 -6.644 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.382 -9.506 -7.503 1.00 0.00 H new ATOM 0 HG SER A 54 -2.291 -7.755 -8.357 1.00 0.00 H new ATOM 787 N ILE A 55 -5.303 -6.210 -8.697 1.00 0.00 N ATOM 788 CA ILE A 55 -6.115 -5.002 -8.626 1.00 0.00 C ATOM 789 C ILE A 55 -6.866 -4.767 -9.933 1.00 0.00 C ATOM 790 O ILE A 55 -6.331 -4.996 -11.017 1.00 0.00 O ATOM 791 CB ILE A 55 -5.257 -3.763 -8.312 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.444 -3.990 -7.035 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.136 -2.530 -8.173 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.289 -4.033 -5.781 1.00 0.00 C ATOM 0 H ILE A 55 -4.300 -6.041 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.832 -5.152 -7.818 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.565 -3.600 -9.138 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.894 -4.927 -7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.705 -3.195 -6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.514 -1.663 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.675 -2.361 -9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.850 -2.681 -7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.647 -4.197 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.818 -3.087 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.011 -4.846 -5.856 1.00 0.00 H new ATOM 806 N ASN A 56 -8.108 -4.308 -9.822 1.00 0.00 N ATOM 807 CA ASN A 56 -8.932 -4.041 -10.995 1.00 0.00 C ATOM 808 C ASN A 56 -9.602 -2.674 -10.889 1.00 0.00 C ATOM 809 O ASN A 56 -10.608 -2.517 -10.197 1.00 0.00 O ATOM 810 CB ASN A 56 -9.994 -5.130 -11.157 1.00 0.00 C ATOM 811 CG ASN A 56 -10.376 -5.355 -12.608 1.00 0.00 C ATOM 812 OD1 ASN A 56 -11.626 -5.062 -12.942 1.00 0.00 O flip ATOM 813 ND2 ASN A 56 -9.554 -5.787 -13.417 1.00 0.00 N flip ATOM 0 H ASN A 56 -8.566 -4.113 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.284 -4.042 -11.871 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.621 -6.063 -10.734 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.882 -4.854 -10.589 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.603 -5.999 -13.114 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.824 -5.933 -14.390 1.00 0.00 H new ATOM 820 N TYR A 57 -9.038 -1.690 -11.580 1.00 0.00 N ATOM 821 CA TYR A 57 -9.579 -0.336 -11.563 1.00 0.00 C ATOM 822 C TYR A 57 -11.067 -0.340 -11.899 1.00 0.00 C ATOM 823 O TYR A 57 -11.832 0.480 -11.390 1.00 0.00 O ATOM 824 CB TYR A 57 -8.823 0.550 -12.554 1.00 0.00 C ATOM 825 CG TYR A 57 -7.625 1.248 -11.950 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.873 0.641 -10.951 1.00 0.00 C ATOM 827 CD2 TYR A 57 -7.245 2.514 -12.378 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.778 1.274 -10.397 1.00 0.00 C ATOM 829 CE2 TYR A 57 -6.151 3.155 -11.830 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.421 2.531 -10.840 1.00 0.00 C ATOM 831 OH TYR A 57 -4.331 3.167 -10.290 1.00 0.00 O ATOM 0 H TYR A 57 -8.206 -1.804 -12.159 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.453 0.066 -10.558 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.492 -0.060 -13.395 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.506 1.299 -12.953 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.150 -0.343 -10.602 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.815 3.005 -13.153 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.204 0.788 -9.622 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.869 4.139 -12.175 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.347 3.061 -9.316 1.00 0.00 H new ATOM 841 N ASP A 58 -11.471 -1.269 -12.759 1.00 0.00 N ATOM 842 CA ASP A 58 -12.866 -1.382 -13.163 1.00 0.00 C ATOM 843 C ASP A 58 -13.787 -1.366 -11.947 1.00 0.00 C ATOM 844 O ASP A 58 -14.887 -0.812 -11.995 1.00 0.00 O ATOM 845 CB ASP A 58 -13.084 -2.665 -13.967 1.00 0.00 C ATOM 846 CG ASP A 58 -14.221 -2.539 -14.963 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.159 -1.636 -15.822 1.00 0.00 O ATOM 848 OD2 ASP A 58 -15.174 -3.344 -14.882 1.00 0.00 O ATOM 0 H ASP A 58 -10.851 -1.955 -13.190 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.108 -0.524 -13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.166 -2.918 -14.498 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.294 -3.488 -13.283 1.00 0.00 H new ATOM 853 N LEU A 59 -13.333 -1.979 -10.859 1.00 0.00 N ATOM 854 CA LEU A 59 -14.116 -2.036 -9.630 1.00 0.00 C ATOM 855 C LEU A 59 -13.816 -0.837 -8.737 1.00 0.00 C ATOM 856 O LEU A 59 -14.693 -0.344 -8.026 1.00 0.00 O ATOM 857 CB LEU A 59 -13.823 -3.334 -8.876 1.00 0.00 C ATOM 858 CG LEU A 59 -13.678 -4.591 -9.735 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.368 -5.799 -8.864 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.939 -4.829 -10.550 1.00 0.00 C ATOM 0 H LEU A 59 -12.427 -2.443 -10.803 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.172 -2.009 -9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.904 -3.200 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.624 -3.501 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.847 -4.443 -10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.268 -6.684 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.436 -5.629 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.178 -5.950 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.817 -5.728 -11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.788 -4.956 -9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.117 -3.974 -11.202 1.00 0.00 H new ATOM 872 N LEU A 60 -12.574 -0.370 -8.780 1.00 0.00 N ATOM 873 CA LEU A 60 -12.158 0.774 -7.976 1.00 0.00 C ATOM 874 C LEU A 60 -12.875 2.044 -8.423 1.00 0.00 C ATOM 875 O LEU A 60 -13.473 2.086 -9.499 1.00 0.00 O ATOM 876 CB LEU A 60 -10.643 0.969 -8.075 1.00 0.00 C ATOM 877 CG LEU A 60 -9.789 -0.277 -7.833 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.310 0.064 -7.929 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.112 -0.890 -6.479 1.00 0.00 C ATOM 0 H LEU A 60 -11.837 -0.766 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.426 0.573 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.411 1.357 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.347 1.733 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.022 -1.011 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.717 -0.834 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.091 0.456 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.060 0.815 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.495 -1.775 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.908 -0.163 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.165 -1.171 -6.449 1.00 0.00 H new ATOM 891 N LYS A 61 -12.810 3.078 -7.592 1.00 0.00 N ATOM 892 CA LYS A 61 -13.450 4.352 -7.903 1.00 0.00 C ATOM 893 C LYS A 61 -12.416 5.392 -8.322 1.00 0.00 C ATOM 894 O LYS A 61 -12.458 5.908 -9.439 1.00 0.00 O ATOM 895 CB LYS A 61 -14.237 4.857 -6.692 1.00 0.00 C ATOM 896 CG LYS A 61 -15.684 4.394 -6.669 1.00 0.00 C ATOM 897 CD LYS A 61 -15.813 3.000 -6.081 1.00 0.00 C ATOM 898 CE LYS A 61 -17.005 2.256 -6.663 1.00 0.00 C ATOM 899 NZ LYS A 61 -16.984 0.809 -6.311 1.00 0.00 N ATOM 0 H LYS A 61 -12.321 3.060 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.136 4.194 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.742 4.519 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.213 5.947 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.282 5.093 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.086 4.401 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.901 2.436 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.920 3.069 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.928 2.705 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.007 2.366 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.902 0.381 -6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.231 0.332 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.804 0.702 -5.292 1.00 0.00 H new ATOM 913 N THR A 62 -11.488 5.694 -7.419 1.00 0.00 N ATOM 914 CA THR A 62 -10.443 6.672 -7.696 1.00 0.00 C ATOM 915 C THR A 62 -11.030 7.955 -8.275 1.00 0.00 C ATOM 916 O THR A 62 -10.414 8.604 -9.120 1.00 0.00 O ATOM 917 CB THR A 62 -9.396 6.113 -8.677 1.00 0.00 C ATOM 918 OG1 THR A 62 -9.967 5.982 -9.983 1.00 0.00 O ATOM 919 CG2 THR A 62 -8.881 4.761 -8.206 1.00 0.00 C ATOM 0 H THR A 62 -11.439 5.276 -6.490 1.00 0.00 H new ATOM 0 HA THR A 62 -9.958 6.894 -6.745 1.00 0.00 H new ATOM 0 HB THR A 62 -8.559 6.810 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.883 6.330 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.143 4.386 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.420 4.869 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.711 4.058 -8.141 1.00 0.00 H new ATOM 927 N GLU A 63 -12.225 8.314 -7.815 1.00 0.00 N ATOM 928 CA GLU A 63 -12.894 9.519 -8.288 1.00 0.00 C ATOM 929 C GLU A 63 -13.675 10.187 -7.160 1.00 0.00 C ATOM 930 O GLU A 63 -14.679 9.656 -6.687 1.00 0.00 O ATOM 931 CB GLU A 63 -13.836 9.185 -9.447 1.00 0.00 C ATOM 932 CG GLU A 63 -14.946 8.218 -9.070 1.00 0.00 C ATOM 933 CD GLU A 63 -15.415 7.382 -10.245 1.00 0.00 C ATOM 934 OE1 GLU A 63 -14.558 6.934 -11.035 1.00 0.00 O ATOM 935 OE2 GLU A 63 -16.640 7.174 -10.373 1.00 0.00 O ATOM 0 H GLU A 63 -12.749 7.787 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.130 10.213 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.281 10.108 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.255 8.758 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.594 7.558 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.790 8.778 -8.668 1.00 0.00 H new ATOM 942 N ASN A 64 -13.206 11.355 -6.735 1.00 0.00 N ATOM 943 CA ASN A 64 -13.859 12.096 -5.661 1.00 0.00 C ATOM 944 C ASN A 64 -14.420 11.145 -4.607 1.00 0.00 C ATOM 945 O ASN A 64 -15.569 11.278 -4.184 1.00 0.00 O ATOM 946 CB ASN A 64 -14.982 12.969 -6.225 1.00 0.00 C ATOM 947 CG ASN A 64 -14.640 13.540 -7.588 1.00 0.00 C ATOM 948 OD1 ASN A 64 -14.161 14.668 -7.698 1.00 0.00 O ATOM 949 ND2 ASN A 64 -14.887 12.760 -8.634 1.00 0.00 N ATOM 0 H ASN A 64 -12.377 11.809 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.113 12.735 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.895 12.378 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.187 13.786 -5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.679 13.090 -9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.285 11.831 -8.495 1.00 0.00 H new ATOM 956 N LEU A 65 -13.601 10.187 -4.188 1.00 0.00 N ATOM 957 CA LEU A 65 -14.014 9.213 -3.182 1.00 0.00 C ATOM 958 C LEU A 65 -14.585 9.911 -1.951 1.00 0.00 C ATOM 959 O LEU A 65 -14.352 11.099 -1.736 1.00 0.00 O ATOM 960 CB LEU A 65 -12.831 8.333 -2.780 1.00 0.00 C ATOM 961 CG LEU A 65 -12.323 7.362 -3.848 1.00 0.00 C ATOM 962 CD1 LEU A 65 -10.833 7.115 -3.680 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.093 6.050 -3.785 1.00 0.00 C ATOM 0 H LEU A 65 -12.648 10.063 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.793 8.587 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.006 8.981 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.115 7.757 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.488 7.811 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.490 6.422 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.295 8.058 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.644 6.687 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.719 5.371 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.960 5.597 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.152 6.241 -3.956 1.00 0.00 H new ATOM 975 N ASN A 66 -15.331 9.162 -1.146 1.00 0.00 N ATOM 976 CA ASN A 66 -15.934 9.708 0.065 1.00 0.00 C ATOM 977 C ASN A 66 -16.058 8.635 1.142 1.00 0.00 C ATOM 978 O ASN A 66 -15.806 7.455 0.890 1.00 0.00 O ATOM 979 CB ASN A 66 -17.311 10.296 -0.246 1.00 0.00 C ATOM 980 CG ASN A 66 -18.392 9.233 -0.316 1.00 0.00 C ATOM 981 OD1 ASN A 66 -19.159 9.050 0.628 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.453 8.525 -1.439 1.00 0.00 N ATOM 0 H ASN A 66 -15.533 8.176 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.285 10.500 0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.573 11.026 0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.269 10.830 -1.195 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.157 7.795 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.796 8.712 -2.196 1.00 0.00 H new ATOM 989 N ASP A 67 -16.448 9.051 2.342 1.00 0.00 N ATOM 990 CA ASP A 67 -16.607 8.125 3.457 1.00 0.00 C ATOM 991 C ASP A 67 -17.208 6.805 2.986 1.00 0.00 C ATOM 992 O ASP A 67 -16.909 5.744 3.536 1.00 0.00 O ATOM 993 CB ASP A 67 -17.492 8.746 4.539 1.00 0.00 C ATOM 994 CG ASP A 67 -17.144 8.247 5.928 1.00 0.00 C ATOM 995 OD1 ASP A 67 -17.331 7.041 6.189 1.00 0.00 O ATOM 996 OD2 ASP A 67 -16.685 9.063 6.755 1.00 0.00 O ATOM 0 H ASP A 67 -16.660 10.023 2.567 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.621 7.925 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.390 9.831 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.536 8.518 4.325 1.00 0.00 H new ATOM 1001 N ASP A 68 -18.058 6.877 1.968 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.702 5.688 1.423 1.00 0.00 C ATOM 1003 C ASP A 68 -17.745 4.920 0.516 1.00 0.00 C ATOM 1004 O ASP A 68 -17.327 3.809 0.840 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.962 6.074 0.646 1.00 0.00 C ATOM 1006 CG ASP A 68 -21.149 6.321 1.555 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -21.131 7.327 2.295 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -22.097 5.510 1.527 1.00 0.00 O ATOM 0 H ASP A 68 -18.317 7.747 1.503 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.982 5.043 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.764 6.972 0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.207 5.281 -0.060 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.405 5.519 -0.621 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.500 4.890 -1.575 1.00 0.00 C ATOM 1015 C GLU A 69 -15.154 4.584 -0.926 1.00 0.00 C ATOM 1016 O GLU A 69 -14.701 3.439 -0.917 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.299 5.794 -2.793 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.599 6.267 -3.421 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.127 5.304 -4.467 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.014 4.079 -4.255 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.652 5.775 -5.497 1.00 0.00 O ATOM 0 H GLU A 69 -17.743 6.439 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 69 -16.949 3.951 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.711 6.663 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.718 5.256 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.349 6.397 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.443 7.244 -3.878 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.516 5.617 -0.385 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.221 5.461 0.267 1.00 0.00 C ATOM 1030 C LYS A 70 -13.138 4.125 1.000 1.00 0.00 C ATOM 1031 O LYS A 70 -12.161 3.389 0.860 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.979 6.609 1.248 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.648 7.928 0.572 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.182 8.969 1.577 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.637 10.208 0.884 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.303 11.285 1.856 1.00 0.00 N ATOM 0 H LYS A 70 -14.875 6.572 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.450 5.481 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.867 6.740 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.162 6.338 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.871 7.770 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.527 8.298 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.013 9.249 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.411 8.539 2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.746 9.943 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.373 10.578 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.935 12.112 1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.159 11.556 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.582 10.941 2.522 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.169 3.819 1.779 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.213 2.570 2.534 1.00 0.00 C ATOM 1052 C LEU A 71 -14.009 1.371 1.614 1.00 0.00 C ATOM 1053 O LEU A 71 -13.083 0.584 1.801 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.548 2.443 3.269 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.850 1.074 3.878 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.755 0.668 4.851 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.205 1.086 4.572 1.00 0.00 C ATOM 0 H LEU A 71 -14.985 4.417 1.905 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.404 2.586 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.574 3.187 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.349 2.694 2.573 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.882 0.340 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.988 -0.309 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.801 0.618 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.689 1.404 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.403 0.103 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.201 1.833 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.982 1.330 3.848 1.00 0.00 H new ATOM 1069 N ASN A 72 -14.880 1.241 0.618 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.794 0.138 -0.333 1.00 0.00 C ATOM 1071 C ASN A 72 -13.347 -0.112 -0.746 1.00 0.00 C ATOM 1072 O ASN A 72 -12.867 -1.244 -0.707 1.00 0.00 O ATOM 1073 CB ASN A 72 -15.646 0.436 -1.568 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.129 0.469 -1.254 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -17.604 1.608 -0.763 1.00 0.00 O flip ATOM 1076 ND2 ASN A 72 -17.839 -0.517 -1.453 1.00 0.00 N flip ATOM 0 H ASN A 72 -15.653 1.885 0.449 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.174 -0.760 0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.346 1.395 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.455 -0.321 -2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.431 -1.371 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.836 -0.479 -1.239 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.658 0.953 -1.142 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.265 0.850 -1.563 1.00 0.00 C ATOM 1085 C ASN A 73 -10.402 0.262 -0.450 1.00 0.00 C ATOM 1086 O ASN A 73 -9.563 -0.604 -0.693 1.00 0.00 O ATOM 1087 CB ASN A 73 -10.729 2.224 -1.967 1.00 0.00 C ATOM 1088 CG ASN A 73 -10.946 2.518 -3.439 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -11.383 1.653 -4.200 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -10.638 3.743 -3.849 1.00 0.00 N ATOM 0 H ASN A 73 -13.041 1.897 -1.180 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.221 0.183 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.219 2.993 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.664 2.276 -1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.761 3.999 -4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.279 4.428 -3.184 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.618 0.739 0.772 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.862 0.260 1.923 1.00 0.00 C ATOM 1099 C ALA A 74 -10.056 -1.239 2.121 1.00 0.00 C ATOM 1100 O ALA A 74 -9.100 -1.971 2.382 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.274 1.018 3.176 1.00 0.00 C ATOM 0 H ALA A 74 -11.310 1.456 0.990 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.804 0.441 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.702 0.651 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.078 2.081 3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.337 0.866 3.360 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.299 -1.692 1.996 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.620 -3.105 2.161 1.00 0.00 C ATOM 1109 C LYS A 75 -10.978 -3.940 1.058 1.00 0.00 C ATOM 1110 O LYS A 75 -10.402 -4.997 1.321 1.00 0.00 O ATOM 1111 CB LYS A 75 -13.135 -3.310 2.155 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.868 -2.468 3.186 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.302 -2.935 3.371 1.00 0.00 C ATOM 1114 CE LYS A 75 -16.186 -2.491 2.216 1.00 0.00 C ATOM 1115 NZ LYS A 75 -16.144 -3.454 1.082 1.00 0.00 N ATOM 0 H LYS A 75 -12.101 -1.100 1.781 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.220 -3.433 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.521 -3.073 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.351 -4.363 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.342 -2.519 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.862 -1.423 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.324 -4.022 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.697 -2.539 4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.213 -2.386 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.865 -1.509 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.778 -2.976 0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.522 -4.251 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.103 -3.809 0.892 1.00 0.00 H new ATOM 1129 N TYR A 76 -11.081 -3.460 -0.176 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.512 -4.163 -1.320 1.00 0.00 C ATOM 1131 C TYR A 76 -9.001 -4.309 -1.173 1.00 0.00 C ATOM 1132 O TYR A 76 -8.448 -5.392 -1.363 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.840 -3.422 -2.616 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.504 -4.206 -3.865 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.252 -5.318 -4.233 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.437 -3.837 -4.674 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -10.948 -6.038 -5.372 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.127 -4.551 -5.817 1.00 0.00 C ATOM 1139 CZ TYR A 76 -9.885 -5.650 -6.161 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.578 -6.364 -7.296 1.00 0.00 O ATOM 0 H TYR A 76 -11.553 -2.587 -0.410 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.953 -5.159 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.902 -3.177 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.295 -2.478 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.085 -5.624 -3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.840 -2.978 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.539 -6.900 -5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.296 -4.249 -6.437 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.615 -6.546 -7.317 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.337 -3.209 -0.831 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.890 -3.213 -0.656 1.00 0.00 C ATOM 1152 C ALA A 77 -6.451 -4.354 0.256 1.00 0.00 C ATOM 1153 O ALA A 77 -5.753 -5.272 -0.175 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.422 -1.878 -0.097 1.00 0.00 C ATOM 0 H ALA A 77 -8.779 -2.304 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.431 -3.366 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.339 -1.896 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.694 -1.079 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.896 -1.701 0.868 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.863 -4.288 1.518 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.512 -5.316 2.490 1.00 0.00 C ATOM 1162 C ILE A 78 -6.873 -6.706 1.976 1.00 0.00 C ATOM 1163 O ILE A 78 -6.118 -7.661 2.156 1.00 0.00 O ATOM 1164 CB ILE A 78 -7.219 -5.080 3.838 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.795 -3.737 4.433 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.908 -6.215 4.804 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.571 -3.353 5.673 1.00 0.00 C ATOM 0 H ILE A 78 -7.440 -3.534 1.891 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.434 -5.255 2.638 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.295 -5.057 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.733 -3.776 4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.921 -2.959 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.414 -6.035 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.255 -7.158 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.832 -6.266 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.217 -2.390 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.631 -3.282 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.425 -4.111 6.443 1.00 0.00 H new ATOM 1179 N SER A 79 -8.031 -6.810 1.332 1.00 0.00 N ATOM 1180 CA SER A 79 -8.494 -8.083 0.792 1.00 0.00 C ATOM 1181 C SER A 79 -7.473 -8.662 -0.183 1.00 0.00 C ATOM 1182 O SER A 79 -7.132 -9.843 -0.112 1.00 0.00 O ATOM 1183 CB SER A 79 -9.842 -7.905 0.091 1.00 0.00 C ATOM 1184 OG SER A 79 -10.377 -9.154 -0.309 1.00 0.00 O ATOM 0 H SER A 79 -8.666 -6.028 1.171 1.00 0.00 H new ATOM 0 HA SER A 79 -8.614 -8.779 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.541 -7.404 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.720 -7.262 -0.781 1.00 0.00 H new ATOM 0 HG SER A 79 -11.239 -9.013 -0.753 1.00 0.00 H new ATOM 1190 N MET A 80 -6.989 -7.823 -1.091 1.00 0.00 N ATOM 1191 CA MET A 80 -6.007 -8.250 -2.081 1.00 0.00 C ATOM 1192 C MET A 80 -4.703 -8.668 -1.407 1.00 0.00 C ATOM 1193 O MET A 80 -4.151 -9.727 -1.706 1.00 0.00 O ATOM 1194 CB MET A 80 -5.738 -7.127 -3.083 1.00 0.00 C ATOM 1195 CG MET A 80 -6.682 -7.138 -4.275 1.00 0.00 C ATOM 1196 SD MET A 80 -6.635 -8.693 -5.184 1.00 0.00 S ATOM 1197 CE MET A 80 -8.354 -8.860 -5.659 1.00 0.00 C ATOM 0 H MET A 80 -7.261 -6.842 -1.162 1.00 0.00 H new ATOM 0 HA MET A 80 -6.415 -9.110 -2.612 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.822 -6.168 -2.572 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.712 -7.209 -3.442 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.699 -6.954 -3.929 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.421 -6.321 -4.947 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.679 -9.887 -5.494 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.964 -8.185 -5.059 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.466 -8.609 -6.714 1.00 0.00 H new ATOM 1207 N ALA A 81 -4.217 -7.830 -0.497 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.980 -8.114 0.219 1.00 0.00 C ATOM 1209 C ALA A 81 -2.872 -9.595 0.561 1.00 0.00 C ATOM 1210 O ALA A 81 -1.826 -10.213 0.361 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.896 -7.270 1.482 1.00 0.00 C ATOM 0 H ALA A 81 -4.661 -6.949 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.144 -7.857 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.967 -7.492 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.918 -6.213 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.742 -7.499 2.130 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.958 -10.159 1.080 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.984 -11.568 1.453 1.00 0.00 C ATOM 1219 C ARG A 82 -4.090 -12.456 0.216 1.00 0.00 C ATOM 1220 O ARG A 82 -3.429 -13.491 0.122 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.156 -11.847 2.395 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.183 -13.270 2.929 1.00 0.00 C ATOM 1223 CD ARG A 82 -5.861 -13.343 4.288 1.00 0.00 C ATOM 1224 NE ARG A 82 -7.314 -13.235 4.181 1.00 0.00 N ATOM 1225 CZ ARG A 82 -8.148 -13.529 5.172 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -7.675 -13.946 6.339 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -9.457 -13.406 4.998 1.00 0.00 N ATOM 0 H ARG A 82 -4.832 -9.661 1.252 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.051 -11.799 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.109 -11.154 3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.090 -11.648 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.709 -13.914 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.164 -13.649 3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.602 -14.285 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.484 -12.543 4.925 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.710 -12.916 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.669 -14.041 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.317 -14.171 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.824 -13.085 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.096 -13.632 5.760 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.926 -12.044 -0.732 1.00 0.00 N ATOM 1242 CA LYS A 83 -5.119 -12.799 -1.964 1.00 0.00 C ATOM 1243 C LYS A 83 -3.778 -13.188 -2.579 1.00 0.00 C ATOM 1244 O LYS A 83 -3.554 -14.351 -2.918 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.933 -11.980 -2.967 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.788 -12.827 -3.893 1.00 0.00 C ATOM 1247 CD LYS A 83 -8.164 -13.088 -3.300 1.00 0.00 C ATOM 1248 CE LYS A 83 -8.154 -14.298 -2.380 1.00 0.00 C ATOM 1249 NZ LYS A 83 -9.484 -14.967 -2.329 1.00 0.00 N ATOM 0 H LYS A 83 -5.481 -11.190 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.666 -13.710 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.577 -11.290 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.253 -11.375 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.895 -12.323 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.288 -13.776 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.494 -12.210 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.883 -13.246 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.403 -15.009 -2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.864 -13.988 -1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.436 -15.787 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.197 -14.296 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.749 -15.285 -3.283 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.890 -12.210 -2.719 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.571 -12.452 -3.291 1.00 0.00 C ATOM 1265 C ILE A 84 -0.643 -13.108 -2.274 1.00 0.00 C ATOM 1266 O ILE A 84 0.299 -13.809 -2.640 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.926 -11.146 -3.790 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.884 -10.110 -2.665 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.689 -10.603 -4.989 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.072 -8.968 -2.930 1.00 0.00 C ATOM 0 H ILE A 84 -3.060 -11.242 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.712 -13.124 -4.137 1.00 0.00 H new ATOM 0 HB ILE A 84 0.097 -11.359 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.886 -9.707 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.598 -10.605 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.221 -9.680 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.672 -11.338 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.721 -10.402 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.050 -8.273 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.082 -9.360 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.226 -8.448 -3.840 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.919 -12.877 -0.994 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.100 -13.454 0.057 1.00 0.00 C ATOM 1284 C GLY A 85 0.586 -12.399 0.903 1.00 0.00 C ATOM 1285 O GLY A 85 1.648 -11.895 0.537 1.00 0.00 O ATOM 0 H GLY A 85 -1.694 -12.301 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.723 -14.080 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.653 -14.104 -0.389 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.022 -12.065 2.036 1.00 0.00 N ATOM 1290 CA ALA A 86 0.537 -11.064 2.936 1.00 0.00 C ATOM 1291 C ALA A 86 -0.264 -10.981 4.230 1.00 0.00 C ATOM 1292 O ALA A 86 -1.490 -10.862 4.207 1.00 0.00 O ATOM 1293 CB ALA A 86 0.582 -9.706 2.253 1.00 0.00 C ATOM 0 H ALA A 86 -0.902 -12.473 2.353 1.00 0.00 H new ATOM 0 HA ALA A 86 1.554 -11.365 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.002 -8.968 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.204 -9.768 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.428 -9.407 1.972 1.00 0.00 H new ATOM 1299 N ARG A 87 0.434 -11.045 5.359 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.214 -10.979 6.664 1.00 0.00 C ATOM 1301 C ARG A 87 -0.452 -9.529 7.079 1.00 0.00 C ATOM 1302 O ARG A 87 0.486 -8.807 7.414 1.00 0.00 O ATOM 1303 CB ARG A 87 0.638 -11.689 7.717 1.00 0.00 C ATOM 1304 CG ARG A 87 0.379 -13.185 7.803 1.00 0.00 C ATOM 1305 CD ARG A 87 1.289 -13.963 6.866 1.00 0.00 C ATOM 1306 NE ARG A 87 2.698 -13.809 7.218 1.00 0.00 N ATOM 1307 CZ ARG A 87 3.669 -14.557 6.707 1.00 0.00 C ATOM 1308 NH1 ARG A 87 3.385 -15.506 5.827 1.00 0.00 N ATOM 1309 NH2 ARG A 87 4.927 -14.356 7.078 1.00 0.00 N ATOM 0 H ARG A 87 1.449 -11.143 5.397 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.179 -11.481 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.692 -11.524 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.446 -11.239 8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.534 -13.524 8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.662 -13.390 7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.022 -15.019 6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.132 -13.623 5.843 1.00 0.00 H new ATOM 0 HE ARG A 87 2.950 -13.087 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.419 -15.663 5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.133 -16.079 5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.148 -13.627 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.673 -14.931 6.685 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.714 -9.113 7.055 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.076 -7.751 7.430 1.00 0.00 C ATOM 1325 C VAL A 88 -2.801 -7.724 8.771 1.00 0.00 C ATOM 1326 O VAL A 88 -3.543 -8.648 9.105 1.00 0.00 O ATOM 1327 CB VAL A 88 -2.970 -7.093 6.362 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -2.173 -6.818 5.096 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -4.175 -7.971 6.063 1.00 0.00 C ATOM 0 H VAL A 88 -2.502 -9.699 6.780 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.146 -7.188 7.512 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.331 -6.140 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.820 -6.353 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.345 -6.148 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.782 -7.756 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.796 -7.491 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.837 -8.939 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.757 -8.113 6.974 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.583 -6.659 9.534 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.214 -6.512 10.840 1.00 0.00 C ATOM 1341 C TYR A 89 -3.800 -5.114 11.008 1.00 0.00 C ATOM 1342 O TYR A 89 -3.646 -4.485 12.055 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.203 -6.790 11.953 1.00 0.00 C ATOM 1344 CG TYR A 89 -2.840 -7.037 13.302 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -3.809 -8.020 13.466 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -2.472 -6.289 14.413 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -4.394 -8.248 14.696 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -3.051 -6.512 15.648 1.00 0.00 C ATOM 1349 CZ TYR A 89 -4.011 -7.491 15.785 1.00 0.00 C ATOM 1350 OH TYR A 89 -4.591 -7.716 17.012 1.00 0.00 O ATOM 0 H TYR A 89 -1.974 -5.884 9.270 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.025 -7.237 10.906 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.604 -7.658 11.679 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.521 -5.944 12.032 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.110 -8.616 12.617 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.721 -5.520 14.310 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.147 -9.014 14.805 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.752 -5.922 16.502 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.210 -7.100 17.672 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.475 -4.633 9.968 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.086 -3.310 10.000 1.00 0.00 C ATOM 1362 C ALA A 90 -6.578 -3.389 9.694 1.00 0.00 C ATOM 1363 O ALA A 90 -7.132 -4.476 9.526 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.392 -2.384 9.013 1.00 0.00 C ATOM 0 H ALA A 90 -4.612 -5.140 9.094 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.967 -2.906 11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.859 -1.400 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.338 -2.295 9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.481 -2.793 8.006 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.224 -2.230 9.622 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.653 -2.167 9.337 1.00 0.00 C ATOM 1372 C LEU A 91 -8.937 -1.210 8.183 1.00 0.00 C ATOM 1373 O LEU A 91 -8.378 -0.116 8.100 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.422 -1.724 10.583 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.946 -1.825 10.502 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.400 -3.255 10.751 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.598 -0.875 11.496 1.00 0.00 C ATOM 0 H LEU A 91 -6.781 -1.321 9.757 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.985 -3.164 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.082 -2.324 11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.157 -0.689 10.800 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.257 -1.537 9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.487 -3.308 10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.962 -3.912 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.077 -3.572 11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.682 -0.961 11.424 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.280 -1.131 12.507 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.299 0.149 11.271 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.828 -1.629 7.272 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.208 -0.824 6.108 1.00 0.00 C ATOM 1391 C PRO A 92 -11.031 0.401 6.495 1.00 0.00 C ATOM 1392 O PRO A 92 -10.846 1.484 5.940 1.00 0.00 O ATOM 1393 CB PRO A 92 -11.046 -1.789 5.268 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.587 -2.773 6.247 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.532 -2.921 7.308 1.00 0.00 C ATOM 0 HA PRO A 92 -9.338 -0.428 5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.849 -1.266 4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.440 -2.280 4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.526 -2.422 6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.794 -3.729 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.971 -3.112 8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.859 -3.751 7.093 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.940 0.220 7.448 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.792 1.311 7.907 1.00 0.00 C ATOM 1405 C GLU A 93 -11.953 2.484 8.404 1.00 0.00 C ATOM 1406 O GLU A 93 -12.246 3.642 8.105 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.722 0.827 9.021 1.00 0.00 C ATOM 1408 CG GLU A 93 -15.001 0.184 8.510 1.00 0.00 C ATOM 1409 CD GLU A 93 -16.087 1.199 8.216 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.752 2.383 8.004 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -17.274 0.811 8.200 1.00 0.00 O ATOM 0 H GLU A 93 -12.105 -0.671 7.917 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.393 1.648 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.187 0.109 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.980 1.672 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.782 -0.381 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.366 -0.529 9.250 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.908 2.177 9.165 1.00 0.00 N ATOM 1419 CA ASP A 94 -10.026 3.203 9.705 1.00 0.00 C ATOM 1420 C ASP A 94 -8.986 3.624 8.670 1.00 0.00 C ATOM 1421 O ASP A 94 -8.522 4.766 8.669 1.00 0.00 O ATOM 1422 CB ASP A 94 -9.330 2.697 10.968 1.00 0.00 C ATOM 1423 CG ASP A 94 -10.287 2.536 12.132 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -11.513 2.533 11.895 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -9.811 2.414 13.281 1.00 0.00 O ATOM 0 H ASP A 94 -10.651 1.224 9.422 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.634 4.072 9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.854 1.739 10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.538 3.392 11.246 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.623 2.696 7.792 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.637 2.970 6.753 1.00 0.00 C ATOM 1432 C LEU A 95 -8.065 4.157 5.896 1.00 0.00 C ATOM 1433 O LEU A 95 -7.235 4.807 5.259 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.440 1.735 5.872 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.792 1.980 4.508 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.485 2.739 4.667 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.562 0.662 3.782 1.00 0.00 C ATOM 0 H LEU A 95 -8.997 1.747 7.779 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.693 3.217 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.829 1.017 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.412 1.269 5.712 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.470 2.588 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.039 2.904 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.678 3.700 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.800 2.158 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.100 0.856 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.904 0.029 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.516 0.157 3.634 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.365 4.436 5.886 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.902 5.547 5.110 1.00 0.00 C ATOM 1451 C VAL A 96 -9.397 6.883 5.641 1.00 0.00 C ATOM 1452 O VAL A 96 -9.330 7.868 4.907 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.442 5.548 5.126 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -11.979 6.916 4.729 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.986 4.466 4.206 1.00 0.00 C ATOM 0 H VAL A 96 -10.065 3.908 6.407 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.557 5.414 4.085 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.777 5.332 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.069 6.898 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.618 7.667 5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.636 7.164 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.076 4.482 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.643 4.648 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.630 3.491 4.540 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.044 6.909 6.922 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.544 8.125 7.552 1.00 0.00 C ATOM 1467 C GLU A 97 -7.028 8.071 7.716 1.00 0.00 C ATOM 1468 O GLU A 97 -6.482 8.555 8.708 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.209 8.331 8.916 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.691 8.653 8.827 1.00 0.00 C ATOM 1471 CD GLU A 97 -10.961 10.144 8.758 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -10.258 10.907 9.454 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -11.874 10.547 8.007 1.00 0.00 O ATOM 0 H GLU A 97 -9.095 6.102 7.544 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.792 8.966 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.077 7.430 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.701 9.140 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.112 8.170 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.203 8.235 9.694 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.354 7.477 6.737 1.00 0.00 N ATOM 1481 CA VAL A 98 -4.901 7.359 6.772 1.00 0.00 C ATOM 1482 C VAL A 98 -4.415 6.962 8.161 1.00 0.00 C ATOM 1483 O VAL A 98 -3.341 7.376 8.595 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.221 8.678 6.359 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.712 8.500 6.283 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -4.775 9.169 5.030 1.00 0.00 C ATOM 0 H VAL A 98 -6.791 7.070 5.910 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.629 6.580 6.059 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.436 9.431 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.249 9.442 5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.332 8.197 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.473 7.733 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.284 10.102 4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.591 8.420 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.848 9.338 5.123 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.214 6.157 8.854 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.865 5.704 10.195 1.00 0.00 C ATOM 1498 C ASN A 99 -3.370 5.422 10.303 1.00 0.00 C ATOM 1499 O ASN A 99 -2.880 4.371 9.890 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.660 4.447 10.555 1.00 0.00 C ATOM 1501 CG ASN A 99 -5.683 3.436 9.425 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.567 2.450 9.531 1.00 0.00 O flip ATOM 1503 ND2 ASN A 99 -4.915 3.540 8.468 1.00 0.00 N flip ATOM 0 H ASN A 99 -6.107 5.805 8.509 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.118 6.499 10.897 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.225 3.987 11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -6.682 4.727 10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.252 4.314 8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.942 2.852 7.715 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.626 6.382 10.872 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.175 6.260 11.047 1.00 0.00 C ATOM 1512 C PRO A 100 -0.804 5.216 12.095 1.00 0.00 C ATOM 1513 O PRO A 100 0.374 4.984 12.366 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.756 7.657 11.513 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.976 8.228 12.149 1.00 0.00 C ATOM 1516 CD PRO A 100 -3.143 7.661 11.387 1.00 0.00 C ATOM 0 HA PRO A 100 -0.680 5.934 10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.072 7.606 12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.423 8.270 10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.030 7.957 13.204 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.969 9.317 12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.010 7.514 12.031 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.455 8.323 10.579 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.818 4.588 12.683 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.599 3.567 13.700 1.00 0.00 C ATOM 1526 C LYS A 101 -1.814 2.171 13.124 1.00 0.00 C ATOM 1527 O LYS A 101 -1.358 1.179 13.691 1.00 0.00 O ATOM 1528 CB LYS A 101 -2.539 3.791 14.887 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.352 5.137 15.564 1.00 0.00 C ATOM 1530 CD LYS A 101 -3.648 5.635 16.181 1.00 0.00 C ATOM 1531 CE LYS A 101 -3.395 6.746 17.189 1.00 0.00 C ATOM 1532 NZ LYS A 101 -2.877 6.216 18.480 1.00 0.00 N ATOM 0 H LYS A 101 -2.799 4.769 12.472 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.567 3.645 14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.570 3.706 14.544 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.380 3.000 15.620 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.588 5.054 16.337 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.991 5.864 14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.310 5.999 15.395 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.160 4.807 16.671 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.679 7.456 16.775 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.321 7.293 17.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.814 6.989 19.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.522 5.483 18.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.933 5.805 18.333 1.00 0.00 H new ATOM 1546 N MET A 102 -2.511 2.102 11.995 1.00 0.00 N ATOM 1547 CA MET A 102 -2.783 0.827 11.342 1.00 0.00 C ATOM 1548 C MET A 102 -1.860 0.622 10.144 1.00 0.00 C ATOM 1549 O MET A 102 -1.298 -0.458 9.959 1.00 0.00 O ATOM 1550 CB MET A 102 -4.244 0.762 10.891 1.00 0.00 C ATOM 1551 CG MET A 102 -5.235 0.766 12.044 1.00 0.00 C ATOM 1552 SD MET A 102 -5.314 -0.820 12.898 1.00 0.00 S ATOM 1553 CE MET A 102 -4.207 -0.519 14.274 1.00 0.00 C ATOM 0 H MET A 102 -2.898 2.914 11.513 1.00 0.00 H new ATOM 0 HA MET A 102 -2.597 0.031 12.063 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.453 1.611 10.240 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.393 -0.140 10.297 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.956 1.544 12.755 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.225 1.020 11.666 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.269 -1.049 14.109 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.010 0.550 14.356 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.667 -0.875 15.196 1.00 0.00 H new ATOM 1563 N VAL A 103 -1.709 1.664 9.333 1.00 0.00 N ATOM 1564 CA VAL A 103 -0.854 1.597 8.155 1.00 0.00 C ATOM 1565 C VAL A 103 0.455 0.879 8.465 1.00 0.00 C ATOM 1566 O VAL A 103 1.103 0.337 7.570 1.00 0.00 O ATOM 1567 CB VAL A 103 -0.538 3.004 7.611 1.00 0.00 C ATOM 1568 CG1 VAL A 103 0.603 2.944 6.606 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -1.778 3.623 6.983 1.00 0.00 C ATOM 0 H VAL A 103 -2.168 2.565 9.471 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.402 1.036 7.398 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.226 3.635 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.812 3.946 6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.494 2.544 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.322 2.298 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.537 4.616 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.122 2.995 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.565 3.702 7.733 1.00 0.00 H new ATOM 1579 N MET A 104 0.835 0.878 9.737 1.00 0.00 N ATOM 1580 CA MET A 104 2.066 0.223 10.166 1.00 0.00 C ATOM 1581 C MET A 104 2.182 -1.169 9.555 1.00 0.00 C ATOM 1582 O MET A 104 3.244 -1.560 9.069 1.00 0.00 O ATOM 1583 CB MET A 104 2.115 0.130 11.692 1.00 0.00 C ATOM 1584 CG MET A 104 1.065 -0.798 12.278 1.00 0.00 C ATOM 1585 SD MET A 104 1.014 -0.741 14.080 1.00 0.00 S ATOM 1586 CE MET A 104 -0.383 -1.810 14.413 1.00 0.00 C ATOM 0 H MET A 104 0.309 1.323 10.489 1.00 0.00 H new ATOM 0 HA MET A 104 2.907 0.823 9.820 1.00 0.00 H new ATOM 0 HB2 MET A 104 3.103 -0.216 11.995 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.983 1.127 12.113 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.086 -0.528 11.882 1.00 0.00 H new ATOM 0 HG3 MET A 104 1.268 -1.819 11.956 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.863 -1.502 15.342 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.098 -1.740 13.594 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.039 -2.840 14.507 1.00 0.00 H new ATOM 1596 N THR A 105 1.083 -1.917 9.585 1.00 0.00 N ATOM 1597 CA THR A 105 1.061 -3.267 9.037 1.00 0.00 C ATOM 1598 C THR A 105 0.777 -3.248 7.540 1.00 0.00 C ATOM 1599 O THR A 105 1.460 -3.912 6.759 1.00 0.00 O ATOM 1600 CB THR A 105 0.005 -4.142 9.738 1.00 0.00 C ATOM 1601 OG1 THR A 105 -1.269 -3.489 9.707 1.00 0.00 O ATOM 1602 CG2 THR A 105 0.403 -4.422 11.179 1.00 0.00 C ATOM 0 H THR A 105 0.196 -1.610 9.984 1.00 0.00 H new ATOM 0 HA THR A 105 2.048 -3.694 9.211 1.00 0.00 H new ATOM 0 HB THR A 105 -0.060 -5.091 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.655 -3.482 10.608 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.358 -5.042 11.653 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.359 -4.945 11.197 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.494 -3.481 11.721 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.235 -2.482 7.143 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.609 -2.376 5.738 1.00 0.00 C ATOM 1612 C VAL A 106 0.624 -2.356 4.841 1.00 0.00 C ATOM 1613 O VAL A 106 0.665 -3.025 3.810 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.442 -1.107 5.474 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.740 -0.964 3.990 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.730 -1.138 6.285 1.00 0.00 C ATOM 0 H VAL A 106 -0.810 -1.926 7.775 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.211 -3.254 5.503 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.862 -0.239 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.329 -0.062 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.804 -0.894 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.301 -1.833 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.307 -0.234 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.317 -2.012 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.490 -1.190 7.347 1.00 0.00 H new ATOM 1626 N PHE A 107 1.628 -1.583 5.243 1.00 0.00 N ATOM 1627 CA PHE A 107 2.864 -1.475 4.475 1.00 0.00 C ATOM 1628 C PHE A 107 3.865 -2.544 4.903 1.00 0.00 C ATOM 1629 O PHE A 107 4.340 -3.327 4.083 1.00 0.00 O ATOM 1630 CB PHE A 107 3.478 -0.084 4.651 1.00 0.00 C ATOM 1631 CG PHE A 107 2.885 0.952 3.739 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.699 0.685 2.393 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.514 2.194 4.229 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.155 1.637 1.552 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.969 3.150 3.394 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.788 2.871 2.053 1.00 0.00 C ATOM 0 H PHE A 107 1.610 -1.023 6.095 1.00 0.00 H new ATOM 0 HA PHE A 107 2.624 -1.628 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.346 0.235 5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.551 -0.144 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.982 -0.279 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.653 2.417 5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.017 1.416 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.685 4.114 3.789 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.361 3.616 1.398 1.00 0.00 H new ATOM 1646 N ALA A 108 4.180 -2.567 6.195 1.00 0.00 N ATOM 1647 CA ALA A 108 5.124 -3.539 6.732 1.00 0.00 C ATOM 1648 C ALA A 108 4.969 -4.891 6.046 1.00 0.00 C ATOM 1649 O ALA A 108 5.936 -5.447 5.522 1.00 0.00 O ATOM 1650 CB ALA A 108 4.934 -3.683 8.235 1.00 0.00 C ATOM 0 H ALA A 108 3.796 -1.924 6.888 1.00 0.00 H new ATOM 0 HA ALA A 108 6.133 -3.176 6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.645 -4.412 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.102 -2.720 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.919 -4.021 8.443 1.00 0.00 H new ATOM 1656 N CYS A 109 3.749 -5.418 6.053 1.00 0.00 N ATOM 1657 CA CYS A 109 3.469 -6.707 5.432 1.00 0.00 C ATOM 1658 C CYS A 109 3.992 -6.746 3.999 1.00 0.00 C ATOM 1659 O CYS A 109 4.505 -7.768 3.543 1.00 0.00 O ATOM 1660 CB CYS A 109 1.965 -6.987 5.447 1.00 0.00 C ATOM 1661 SG CYS A 109 0.993 -5.851 4.429 1.00 0.00 S ATOM 0 H CYS A 109 2.938 -4.972 6.482 1.00 0.00 H new ATOM 0 HA CYS A 109 3.981 -7.479 6.007 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.792 -8.006 5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.607 -6.934 6.475 1.00 0.00 H new ATOM 0 HG CYS A 109 1.503 -4.658 4.503 1.00 0.00 H new ATOM 1667 N LEU A 110 3.857 -5.628 3.296 1.00 0.00 N ATOM 1668 CA LEU A 110 4.315 -5.535 1.914 1.00 0.00 C ATOM 1669 C LEU A 110 5.825 -5.327 1.854 1.00 0.00 C ATOM 1670 O LEU A 110 6.463 -5.626 0.844 1.00 0.00 O ATOM 1671 CB LEU A 110 3.602 -4.386 1.196 1.00 0.00 C ATOM 1672 CG LEU A 110 2.096 -4.555 0.993 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.424 -3.200 0.834 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.817 -5.435 -0.217 1.00 0.00 C ATOM 0 H LEU A 110 3.435 -4.774 3.659 1.00 0.00 H new ATOM 0 HA LEU A 110 4.075 -6.473 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.772 -3.470 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.067 -4.249 0.220 1.00 0.00 H new ATOM 0 HG LEU A 110 1.682 -5.042 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.353 -3.340 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.595 -2.602 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.842 -2.686 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.740 -5.545 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.245 -4.975 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.266 -6.416 -0.064 1.00 0.00 H new ATOM 1686 N MET A 111 6.391 -4.815 2.941 1.00 0.00 N ATOM 1687 CA MET A 111 7.827 -4.571 3.013 1.00 0.00 C ATOM 1688 C MET A 111 8.573 -5.837 3.422 1.00 0.00 C ATOM 1689 O MET A 111 9.797 -5.911 3.310 1.00 0.00 O ATOM 1690 CB MET A 111 8.127 -3.445 4.005 1.00 0.00 C ATOM 1691 CG MET A 111 8.181 -2.068 3.363 1.00 0.00 C ATOM 1692 SD MET A 111 9.840 -1.623 2.816 1.00 0.00 S ATOM 1693 CE MET A 111 9.860 -2.339 1.174 1.00 0.00 C ATOM 0 H MET A 111 5.877 -4.561 3.785 1.00 0.00 H new ATOM 0 HA MET A 111 8.169 -4.272 2.022 1.00 0.00 H new ATOM 0 HB2 MET A 111 7.364 -3.444 4.783 1.00 0.00 H new ATOM 0 HB3 MET A 111 9.080 -3.647 4.494 1.00 0.00 H new ATOM 0 HG2 MET A 111 7.502 -2.042 2.511 1.00 0.00 H new ATOM 0 HG3 MET A 111 7.826 -1.324 4.076 1.00 0.00 H new ATOM 0 HE1 MET A 111 10.443 -1.703 0.507 1.00 0.00 H new ATOM 0 HE2 MET A 111 10.310 -3.331 1.215 1.00 0.00 H new ATOM 0 HE3 MET A 111 8.839 -2.419 0.799 1.00 0.00 H new ATOM 1703 N GLY A 112 7.829 -6.830 3.897 1.00 0.00 N ATOM 1704 CA GLY A 112 8.439 -8.079 4.316 1.00 0.00 C ATOM 1705 C GLY A 112 9.476 -8.577 3.329 1.00 0.00 C ATOM 1706 O GLY A 112 10.392 -9.313 3.698 1.00 0.00 O ATOM 0 H GLY A 112 6.815 -6.793 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.906 -7.942 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.664 -8.836 4.437 1.00 0.00 H new ATOM 1710 N LYS A 113 9.332 -8.178 2.070 1.00 0.00 N ATOM 1711 CA LYS A 113 10.263 -8.589 1.025 1.00 0.00 C ATOM 1712 C LYS A 113 11.640 -7.976 1.254 1.00 0.00 C ATOM 1713 O LYS A 113 12.662 -8.649 1.113 1.00 0.00 O ATOM 1714 CB LYS A 113 9.732 -8.180 -0.350 1.00 0.00 C ATOM 1715 CG LYS A 113 10.386 -8.924 -1.501 1.00 0.00 C ATOM 1716 CD LYS A 113 9.855 -10.343 -1.621 1.00 0.00 C ATOM 1717 CE LYS A 113 10.749 -11.200 -2.502 1.00 0.00 C ATOM 1718 NZ LYS A 113 10.173 -12.555 -2.727 1.00 0.00 N ATOM 0 H LYS A 113 8.579 -7.570 1.748 1.00 0.00 H new ATOM 0 HA LYS A 113 10.357 -9.674 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 113 8.656 -8.353 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 113 9.886 -7.110 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.205 -8.387 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.465 -8.950 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.783 -10.791 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.847 -10.322 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.896 -10.704 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.731 -11.295 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.813 -13.108 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.056 -13.039 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.247 -12.466 -3.192 1.00 0.00 H new ATOM 1732 N GLY A 114 11.662 -6.695 1.608 1.00 0.00 N ATOM 1733 CA GLY A 114 12.921 -6.014 1.851 1.00 0.00 C ATOM 1734 C GLY A 114 13.757 -6.701 2.913 1.00 0.00 C ATOM 1735 O GLY A 114 14.845 -7.198 2.628 1.00 0.00 O ATOM 0 H GLY A 114 10.831 -6.116 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.489 -5.964 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.722 -4.987 2.158 1.00 0.00 H new ATOM 1739 N MET A 115 13.247 -6.727 4.140 1.00 0.00 N ATOM 1740 CA MET A 115 13.955 -7.357 5.247 1.00 0.00 C ATOM 1741 C MET A 115 12.977 -7.836 6.315 1.00 0.00 C ATOM 1742 O MET A 115 12.304 -7.033 6.962 1.00 0.00 O ATOM 1743 CB MET A 115 14.961 -6.381 5.861 1.00 0.00 C ATOM 1744 CG MET A 115 16.089 -5.998 4.917 1.00 0.00 C ATOM 1745 SD MET A 115 17.147 -4.702 5.590 1.00 0.00 S ATOM 1746 CE MET A 115 18.742 -5.514 5.552 1.00 0.00 C ATOM 0 H MET A 115 12.347 -6.319 4.392 1.00 0.00 H new ATOM 0 HA MET A 115 14.492 -8.221 4.856 1.00 0.00 H new ATOM 0 HB2 MET A 115 14.436 -5.478 6.172 1.00 0.00 H new ATOM 0 HB3 MET A 115 15.386 -6.828 6.760 1.00 0.00 H new ATOM 0 HG2 MET A 115 16.693 -6.880 4.702 1.00 0.00 H new ATOM 0 HG3 MET A 115 15.667 -5.662 3.970 1.00 0.00 H new ATOM 0 HE1 MET A 115 19.504 -4.837 5.939 1.00 0.00 H new ATOM 0 HE2 MET A 115 18.708 -6.412 6.168 1.00 0.00 H new ATOM 0 HE3 MET A 115 18.987 -5.787 4.526 1.00 0.00 H new ATOM 1756 N LYS A 116 12.901 -9.150 6.497 1.00 0.00 N ATOM 1757 CA LYS A 116 12.007 -9.738 7.486 1.00 0.00 C ATOM 1758 C LYS A 116 12.305 -11.222 7.678 1.00 0.00 C ATOM 1759 O LYS A 116 12.736 -11.902 6.747 1.00 0.00 O ATOM 1760 CB LYS A 116 10.549 -9.550 7.061 1.00 0.00 C ATOM 1761 CG LYS A 116 9.554 -10.244 7.975 1.00 0.00 C ATOM 1762 CD LYS A 116 9.300 -9.438 9.237 1.00 0.00 C ATOM 1763 CE LYS A 116 8.362 -8.270 8.974 1.00 0.00 C ATOM 1764 NZ LYS A 116 7.686 -7.810 10.218 1.00 0.00 N ATOM 0 H LYS A 116 13.450 -9.829 5.970 1.00 0.00 H new ATOM 0 HA LYS A 116 12.171 -9.228 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.322 -8.484 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.423 -9.929 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.614 -10.395 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.931 -11.231 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.871 -10.085 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.246 -9.065 9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.924 -7.443 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.611 -8.565 8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.056 -7.013 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.129 -8.591 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.401 -7.504 10.909 1.00 0.00 H new ATOM 1778 N ARG A 117 12.071 -11.716 8.889 1.00 0.00 N ATOM 1779 CA ARG A 117 12.314 -13.119 9.201 1.00 0.00 C ATOM 1780 C ARG A 117 11.596 -13.522 10.486 1.00 0.00 C ATOM 1781 O ARG A 117 11.508 -12.740 11.432 1.00 0.00 O ATOM 1782 CB ARG A 117 13.815 -13.380 9.339 1.00 0.00 C ATOM 1783 CG ARG A 117 14.515 -12.418 10.285 1.00 0.00 C ATOM 1784 CD ARG A 117 15.872 -12.951 10.717 1.00 0.00 C ATOM 1785 NE ARG A 117 16.861 -12.867 9.645 1.00 0.00 N ATOM 1786 CZ ARG A 117 18.170 -12.973 9.842 1.00 0.00 C ATOM 1787 NH1 ARG A 117 18.647 -13.167 11.065 1.00 0.00 N ATOM 1788 NH2 ARG A 117 19.007 -12.885 8.816 1.00 0.00 N ATOM 0 H ARG A 117 11.714 -11.166 9.670 1.00 0.00 H new ATOM 0 HA ARG A 117 11.921 -13.721 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 117 13.967 -14.400 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 117 14.279 -13.311 8.355 1.00 0.00 H new ATOM 0 HG2 ARG A 117 14.641 -11.452 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 117 13.892 -12.252 11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 117 16.225 -12.387 11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 117 15.769 -13.989 11.035 1.00 0.00 H new ATOM 0 HE ARG A 117 16.528 -12.719 8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 117 18.008 -13.235 11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 117 19.653 -13.248 11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 117 18.645 -12.736 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 117 20.012 -12.967 8.969 1.00 0.00 H new ATOM 1802 N VAL A 118 11.084 -14.749 10.512 1.00 0.00 N ATOM 1803 CA VAL A 118 10.374 -15.257 11.680 1.00 0.00 C ATOM 1804 C VAL A 118 10.664 -16.738 11.898 1.00 0.00 C ATOM 1805 O VAL A 118 10.835 -17.494 10.942 1.00 0.00 O ATOM 1806 CB VAL A 118 8.853 -15.057 11.543 1.00 0.00 C ATOM 1807 CG1 VAL A 118 8.126 -15.666 12.731 1.00 0.00 C ATOM 1808 CG2 VAL A 118 8.521 -13.578 11.406 1.00 0.00 C ATOM 0 H VAL A 118 11.148 -15.409 9.737 1.00 0.00 H new ATOM 0 HA VAL A 118 10.731 -14.690 12.539 1.00 0.00 H new ATOM 0 HB VAL A 118 8.516 -15.567 10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 118 7.053 -15.515 12.617 1.00 0.00 H new ATOM 0 HG12 VAL A 118 8.339 -16.734 12.780 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.464 -15.186 13.649 1.00 0.00 H new ATOM 0 HG21 VAL A 118 7.442 -13.455 11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.870 -13.043 12.289 1.00 0.00 H new ATOM 0 HG23 VAL A 118 9.012 -13.175 10.520 1.00 0.00 H new ATOM 1818 N SER A 119 10.717 -17.144 13.162 1.00 0.00 N ATOM 1819 CA SER A 119 10.989 -18.535 13.506 1.00 0.00 C ATOM 1820 C SER A 119 9.719 -19.375 13.416 1.00 0.00 C ATOM 1821 O SER A 119 8.970 -19.493 14.385 1.00 0.00 O ATOM 1822 CB SER A 119 11.578 -18.628 14.915 1.00 0.00 C ATOM 1823 OG SER A 119 12.964 -18.335 14.909 1.00 0.00 O ATOM 0 H SER A 119 10.575 -16.531 13.964 1.00 0.00 H new ATOM 0 HA SER A 119 11.713 -18.926 12.791 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.059 -17.934 15.576 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.417 -19.629 15.315 1.00 0.00 H new ATOM 0 HG SER A 119 13.316 -18.400 15.821 1.00 0.00 H new ATOM 1829 N GLY A 120 9.483 -19.958 12.245 1.00 0.00 N ATOM 1830 CA GLY A 120 8.303 -20.780 12.048 1.00 0.00 C ATOM 1831 C GLY A 120 8.095 -21.158 10.596 1.00 0.00 C ATOM 1832 O GLY A 120 8.785 -20.670 9.700 1.00 0.00 O ATOM 0 H GLY A 120 10.088 -19.876 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.391 -21.686 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 120 7.426 -20.243 12.410 1.00 0.00 H new ATOM 1836 N PRO A 121 7.124 -22.049 10.346 1.00 0.00 N ATOM 1837 CA PRO A 121 6.806 -22.514 8.992 1.00 0.00 C ATOM 1838 C PRO A 121 6.160 -21.425 8.143 1.00 0.00 C ATOM 1839 O PRO A 121 5.127 -20.866 8.514 1.00 0.00 O ATOM 1840 CB PRO A 121 5.819 -23.660 9.233 1.00 0.00 C ATOM 1841 CG PRO A 121 5.197 -23.352 10.552 1.00 0.00 C ATOM 1842 CD PRO A 121 6.263 -22.672 11.365 1.00 0.00 C ATOM 0 HA PRO A 121 7.699 -22.811 8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 121 5.069 -23.710 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 121 6.328 -24.624 9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 121 4.327 -22.706 10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 121 4.853 -24.262 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 121 5.840 -21.930 12.042 1.00 0.00 H new ATOM 0 HD3 PRO A 121 6.816 -23.384 11.978 1.00 0.00 H new ATOM 1850 N SER A 122 6.774 -21.128 7.002 1.00 0.00 N ATOM 1851 CA SER A 122 6.260 -20.102 6.102 1.00 0.00 C ATOM 1852 C SER A 122 5.204 -20.682 5.165 1.00 0.00 C ATOM 1853 O SER A 122 4.940 -21.884 5.178 1.00 0.00 O ATOM 1854 CB SER A 122 7.401 -19.491 5.287 1.00 0.00 C ATOM 1855 OG SER A 122 8.094 -18.508 6.036 1.00 0.00 O ATOM 0 H SER A 122 7.628 -21.583 6.679 1.00 0.00 H new ATOM 0 HA SER A 122 5.796 -19.322 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.094 -20.275 4.981 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.003 -19.044 4.376 1.00 0.00 H new ATOM 0 HG SER A 122 8.819 -18.134 5.493 1.00 0.00 H new ATOM 1861 N SER A 123 4.604 -19.817 4.354 1.00 0.00 N ATOM 1862 CA SER A 123 3.573 -20.241 3.413 1.00 0.00 C ATOM 1863 C SER A 123 4.137 -20.339 1.998 1.00 0.00 C ATOM 1864 O SER A 123 5.289 -19.987 1.751 1.00 0.00 O ATOM 1865 CB SER A 123 2.397 -19.264 3.438 1.00 0.00 C ATOM 1866 OG SER A 123 2.749 -18.026 2.845 1.00 0.00 O ATOM 0 H SER A 123 4.813 -18.819 4.329 1.00 0.00 H new ATOM 0 HA SER A 123 3.223 -21.228 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.549 -19.697 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.078 -19.100 4.467 1.00 0.00 H new ATOM 0 HG SER A 123 1.979 -17.420 2.872 1.00 0.00 H new ATOM 1872 N GLY A 124 3.315 -20.823 1.073 1.00 0.00 N ATOM 1873 CA GLY A 124 3.748 -20.960 -0.306 1.00 0.00 C ATOM 1874 C GLY A 124 4.801 -22.036 -0.478 1.00 0.00 C ATOM 1875 O GLY A 124 4.577 -23.029 -1.171 1.00 0.00 O ATOM 0 H GLY A 124 2.357 -21.123 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 124 2.887 -21.195 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.146 -20.007 -0.655 1.00 0.00 H new TER 1879 GLY A 124