USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 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 103 HIS : no HE2:sc= -0.0444 K(o=0.79,f=0.27) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.832 K(o=0.79,f=-0.046) USER MOD Set 2.1: A 7 THR OG1 : rot 143:sc= 1.17 USER MOD Set 2.2: A 64 ASN : amide:sc= 1.55 K(o=2.7,f=-1.1) USER MOD Set 2.3: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 137:sc= 0.0051 (180deg=0) USER MOD Single : A 1 SER OG : rot -160:sc= 1.32 USER MOD Single : A 10 ASN : amide:sc= 0.797 K(o=0.8,f=-5.2!) USER MOD Single : A 13 SER OG : rot -45:sc= 1.25 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -98:sc= 1.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 179:sc= 0.789 USER MOD Single : A 35 HIS : no HE2:sc= 0.59 K(o=0.59,f=-3.5!) USER MOD Single : A 36 CYS SG : rot 155:sc= -0.0326 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 163:sc= 1.21 USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.13 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 2.24 (180deg=2.09) USER MOD Single : A 62 THR OG1 : rot 162:sc= 0.536 USER MOD Single : A 65 THR OG1 : rot -41:sc= 1.24 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 69 ASN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 1.11 (180deg=1.03) USER MOD Single : A 71 TYR OH : rot 162:sc= 0.945 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= 2.1 (180deg=1.79) USER MOD Single : A 91 TYR OH : rot 6:sc= 0.0902 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.515 1.677 14.506 1.00 0.00 N ATOM 2 CA SER A 1 -2.782 1.268 13.103 1.00 0.00 C ATOM 3 C SER A 1 -1.660 0.385 12.552 1.00 0.00 C ATOM 4 O SER A 1 -0.480 0.645 12.798 1.00 0.00 O ATOM 5 CB SER A 1 -3.024 2.483 12.201 1.00 0.00 C ATOM 6 OG SER A 1 -4.149 3.198 12.679 1.00 0.00 O ATOM 0 H1 SER A 1 -2.748 2.684 14.625 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.100 1.108 15.151 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.510 1.526 14.726 1.00 0.00 H new ATOM 0 HA SER A 1 -3.696 0.674 13.108 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.145 3.127 12.194 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.192 2.161 11.173 1.00 0.00 H new ATOM 0 HG SER A 1 -4.508 3.761 11.961 1.00 0.00 H new ATOM 14 N ASP A 2 -2.010 -0.686 11.827 1.00 0.00 N ATOM 15 CA ASP A 2 -1.058 -1.736 11.412 1.00 0.00 C ATOM 16 C ASP A 2 -0.154 -1.347 10.216 1.00 0.00 C ATOM 17 O ASP A 2 0.912 -1.939 10.019 1.00 0.00 O ATOM 18 CB ASP A 2 -1.854 -3.013 11.084 1.00 0.00 C ATOM 19 CG ASP A 2 -0.949 -4.253 11.011 1.00 0.00 C ATOM 20 OD1 ASP A 2 -0.464 -4.688 12.084 1.00 0.00 O ATOM 21 OD2 ASP A 2 -0.747 -4.802 9.902 1.00 0.00 O ATOM 0 H ASP A 2 -2.964 -0.853 11.508 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.374 -1.893 12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.620 -3.168 11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.370 -2.884 10.132 1.00 0.00 H new ATOM 26 N VAL A 3 -0.565 -0.343 9.427 1.00 0.00 N ATOM 27 CA VAL A 3 0.150 0.139 8.225 1.00 0.00 C ATOM 28 C VAL A 3 1.592 0.561 8.559 1.00 0.00 C ATOM 29 O VAL A 3 1.821 1.386 9.453 1.00 0.00 O ATOM 30 CB VAL A 3 -0.601 1.317 7.570 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.093 1.796 6.291 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.045 0.962 7.188 1.00 0.00 C ATOM 0 H VAL A 3 -1.426 0.173 9.608 1.00 0.00 H new ATOM 0 HA VAL A 3 0.189 -0.691 7.520 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.600 2.101 8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.468 2.626 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.105 2.126 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.137 0.978 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.524 1.828 6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.041 0.134 6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.597 0.671 8.082 1.00 0.00 H new ATOM 42 N LEU A 4 2.569 0.036 7.813 1.00 0.00 N ATOM 43 CA LEU A 4 3.984 0.419 7.913 1.00 0.00 C ATOM 44 C LEU A 4 4.230 1.822 7.328 1.00 0.00 C ATOM 45 O LEU A 4 3.994 2.052 6.144 1.00 0.00 O ATOM 46 CB LEU A 4 4.841 -0.600 7.139 1.00 0.00 C ATOM 47 CG LEU A 4 4.889 -2.034 7.694 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.673 -2.920 6.725 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.572 -2.079 9.061 1.00 0.00 C ATOM 0 H LEU A 4 2.397 -0.681 7.108 1.00 0.00 H new ATOM 0 HA LEU A 4 4.258 0.431 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.472 -0.645 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.861 -0.220 7.093 1.00 0.00 H new ATOM 0 HG LEU A 4 3.865 -2.391 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.711 -3.938 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.181 -2.920 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.687 -2.534 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.590 -3.106 9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.593 -1.709 8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.021 -1.454 9.764 1.00 0.00 H new ATOM 61 N GLU A 5 4.743 2.764 8.118 1.00 0.00 N ATOM 62 CA GLU A 5 5.159 4.075 7.630 1.00 0.00 C ATOM 63 C GLU A 5 6.622 4.038 7.152 1.00 0.00 C ATOM 64 O GLU A 5 7.561 4.059 7.955 1.00 0.00 O ATOM 65 CB GLU A 5 4.872 5.110 8.727 1.00 0.00 C ATOM 66 CG GLU A 5 5.058 6.525 8.197 1.00 0.00 C ATOM 67 CD GLU A 5 4.482 7.574 9.163 1.00 0.00 C ATOM 68 OE1 GLU A 5 5.205 8.009 10.093 1.00 0.00 O ATOM 69 OE2 GLU A 5 3.304 7.976 8.992 1.00 0.00 O ATOM 0 H GLU A 5 4.882 2.637 9.120 1.00 0.00 H new ATOM 0 HA GLU A 5 4.589 4.371 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.853 4.985 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.538 4.943 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.119 6.718 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.570 6.617 7.227 1.00 0.00 H new ATOM 76 N LEU A 6 6.812 3.922 5.836 1.00 0.00 N ATOM 77 CA LEU A 6 8.104 3.691 5.180 1.00 0.00 C ATOM 78 C LEU A 6 8.644 4.948 4.457 1.00 0.00 C ATOM 79 O LEU A 6 7.931 5.915 4.189 1.00 0.00 O ATOM 80 CB LEU A 6 7.967 2.535 4.165 1.00 0.00 C ATOM 81 CG LEU A 6 7.501 1.177 4.719 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.502 0.146 3.590 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.423 0.666 5.823 1.00 0.00 C ATOM 0 H LEU A 6 6.041 3.989 5.171 1.00 0.00 H new ATOM 0 HA LEU A 6 8.820 3.436 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.266 2.845 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.933 2.391 3.681 1.00 0.00 H new ATOM 0 HG LEU A 6 6.502 1.316 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.173 -0.818 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.824 0.471 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.510 0.050 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.058 -0.295 6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.432 0.545 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.439 1.382 6.645 1.00 0.00 H new ATOM 95 N THR A 7 9.935 4.886 4.118 1.00 0.00 N ATOM 96 CA THR A 7 10.675 5.822 3.252 1.00 0.00 C ATOM 97 C THR A 7 12.019 5.178 2.878 1.00 0.00 C ATOM 98 O THR A 7 12.395 4.159 3.457 1.00 0.00 O ATOM 99 CB THR A 7 10.853 7.199 3.929 1.00 0.00 C ATOM 100 OG1 THR A 7 11.493 8.103 3.062 1.00 0.00 O ATOM 101 CG2 THR A 7 11.650 7.158 5.229 1.00 0.00 C ATOM 0 H THR A 7 10.534 4.134 4.461 1.00 0.00 H new ATOM 0 HA THR A 7 10.107 6.011 2.341 1.00 0.00 H new ATOM 0 HB THR A 7 9.840 7.523 4.167 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.114 8.998 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.729 8.165 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.143 6.512 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.648 6.768 5.032 1.00 0.00 H new ATOM 109 N ASP A 8 12.760 5.755 1.930 1.00 0.00 N ATOM 110 CA ASP A 8 14.023 5.215 1.388 1.00 0.00 C ATOM 111 C ASP A 8 15.096 4.894 2.456 1.00 0.00 C ATOM 112 O ASP A 8 15.947 4.024 2.251 1.00 0.00 O ATOM 113 CB ASP A 8 14.565 6.219 0.367 1.00 0.00 C ATOM 114 CG ASP A 8 15.756 5.670 -0.442 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.528 4.870 -1.382 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.913 6.086 -0.184 1.00 0.00 O ATOM 0 H ASP A 8 12.495 6.641 1.500 1.00 0.00 H new ATOM 0 HA ASP A 8 13.796 4.254 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.765 6.499 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.873 7.127 0.886 1.00 0.00 H new ATOM 121 N ASP A 9 15.029 5.547 3.626 1.00 0.00 N ATOM 122 CA ASP A 9 15.883 5.278 4.790 1.00 0.00 C ATOM 123 C ASP A 9 15.779 3.836 5.334 1.00 0.00 C ATOM 124 O ASP A 9 16.760 3.324 5.880 1.00 0.00 O ATOM 125 CB ASP A 9 15.520 6.276 5.893 1.00 0.00 C ATOM 126 CG ASP A 9 16.455 6.184 7.108 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.646 6.564 6.989 1.00 0.00 O ATOM 128 OD2 ASP A 9 15.991 5.767 8.199 1.00 0.00 O ATOM 0 H ASP A 9 14.359 6.298 3.792 1.00 0.00 H new ATOM 0 HA ASP A 9 16.917 5.393 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.556 7.287 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.494 6.098 6.215 1.00 0.00 H new ATOM 133 N ASN A 10 14.620 3.175 5.178 1.00 0.00 N ATOM 134 CA ASN A 10 14.380 1.814 5.688 1.00 0.00 C ATOM 135 C ASN A 10 13.571 0.877 4.767 1.00 0.00 C ATOM 136 O ASN A 10 13.605 -0.337 4.990 1.00 0.00 O ATOM 137 CB ASN A 10 13.789 1.898 7.108 1.00 0.00 C ATOM 138 CG ASN A 10 12.321 2.284 7.150 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.434 1.443 7.088 1.00 0.00 O ATOM 140 ND2 ASN A 10 12.009 3.554 7.281 1.00 0.00 N ATOM 0 H ASN A 10 13.817 3.573 4.691 1.00 0.00 H new ATOM 0 HA ASN A 10 15.355 1.328 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.913 0.933 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.361 2.625 7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.030 3.836 7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.746 4.257 7.333 1.00 0.00 H new ATOM 147 N PHE A 11 12.922 1.375 3.708 1.00 0.00 N ATOM 148 CA PHE A 11 12.255 0.543 2.687 1.00 0.00 C ATOM 149 C PHE A 11 13.216 -0.523 2.125 1.00 0.00 C ATOM 150 O PHE A 11 12.849 -1.689 1.968 1.00 0.00 O ATOM 151 CB PHE A 11 11.695 1.456 1.579 1.00 0.00 C ATOM 152 CG PHE A 11 10.706 0.808 0.612 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.128 -0.167 -0.313 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.359 1.213 0.613 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.207 -0.747 -1.205 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.435 0.639 -0.280 1.00 0.00 C ATOM 157 CZ PHE A 11 8.858 -0.344 -1.191 1.00 0.00 C ATOM 0 H PHE A 11 12.842 2.376 3.530 1.00 0.00 H new ATOM 0 HA PHE A 11 11.426 0.002 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.206 2.308 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.532 1.849 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.164 -0.471 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.030 1.973 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.536 -1.503 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.402 0.954 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.152 -0.788 -1.877 1.00 0.00 H new ATOM 167 N GLU A 12 14.489 -0.150 1.958 1.00 0.00 N ATOM 168 CA GLU A 12 15.634 -0.975 1.529 1.00 0.00 C ATOM 169 C GLU A 12 15.968 -2.185 2.435 1.00 0.00 C ATOM 170 O GLU A 12 16.851 -2.987 2.106 1.00 0.00 O ATOM 171 CB GLU A 12 16.873 -0.067 1.432 1.00 0.00 C ATOM 172 CG GLU A 12 16.777 1.016 0.342 1.00 0.00 C ATOM 173 CD GLU A 12 16.792 0.414 -1.079 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.808 -0.218 -1.457 1.00 0.00 O ATOM 175 OE2 GLU A 12 15.807 0.584 -1.840 1.00 0.00 O ATOM 0 H GLU A 12 14.773 0.814 2.132 1.00 0.00 H new ATOM 0 HA GLU A 12 15.346 -1.408 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.032 0.416 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.749 -0.686 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.861 1.590 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.609 1.712 0.449 1.00 0.00 H new ATOM 182 N SER A 13 15.253 -2.349 3.555 1.00 0.00 N ATOM 183 CA SER A 13 15.337 -3.512 4.461 1.00 0.00 C ATOM 184 C SER A 13 14.075 -4.394 4.472 1.00 0.00 C ATOM 185 O SER A 13 14.110 -5.521 4.969 1.00 0.00 O ATOM 186 CB SER A 13 15.648 -3.029 5.883 1.00 0.00 C ATOM 187 OG SER A 13 14.520 -2.385 6.456 1.00 0.00 O ATOM 0 H SER A 13 14.576 -1.655 3.870 1.00 0.00 H new ATOM 0 HA SER A 13 16.140 -4.143 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.943 -3.876 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.493 -2.341 5.861 1.00 0.00 H new ATOM 0 HG SER A 13 14.128 -1.769 5.803 1.00 0.00 H new ATOM 193 N ARG A 14 12.950 -3.891 3.939 1.00 0.00 N ATOM 194 CA ARG A 14 11.634 -4.569 3.936 1.00 0.00 C ATOM 195 C ARG A 14 11.469 -5.550 2.783 1.00 0.00 C ATOM 196 O ARG A 14 10.770 -6.554 2.918 1.00 0.00 O ATOM 197 CB ARG A 14 10.512 -3.529 3.780 1.00 0.00 C ATOM 198 CG ARG A 14 10.568 -2.337 4.750 1.00 0.00 C ATOM 199 CD ARG A 14 10.514 -2.750 6.223 1.00 0.00 C ATOM 200 NE ARG A 14 10.552 -1.563 7.099 1.00 0.00 N ATOM 201 CZ ARG A 14 10.161 -1.479 8.358 1.00 0.00 C ATOM 202 NH1 ARG A 14 9.726 -2.507 9.034 1.00 0.00 N ATOM 203 NH2 ARG A 14 10.194 -0.326 8.961 1.00 0.00 N ATOM 0 H ARG A 14 12.925 -2.978 3.485 1.00 0.00 H new ATOM 0 HA ARG A 14 11.578 -5.110 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.537 -3.145 2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.554 -4.033 3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.485 -1.775 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.736 -1.666 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.604 -3.319 6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.354 -3.405 6.453 1.00 0.00 H new ATOM 0 HE ARG A 14 10.923 -0.708 6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.677 -3.425 8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.435 -2.393 10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.520 0.502 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.894 -0.250 9.933 1.00 0.00 H new ATOM 217 N ILE A 15 12.096 -5.244 1.646 1.00 0.00 N ATOM 218 CA ILE A 15 11.925 -5.912 0.340 1.00 0.00 C ATOM 219 C ILE A 15 12.074 -7.442 0.397 1.00 0.00 C ATOM 220 O ILE A 15 11.386 -8.175 -0.317 1.00 0.00 O ATOM 221 CB ILE A 15 12.839 -5.279 -0.743 1.00 0.00 C ATOM 222 CG1 ILE A 15 14.318 -5.736 -0.726 1.00 0.00 C ATOM 223 CG2 ILE A 15 12.737 -3.748 -0.711 1.00 0.00 C ATOM 224 CD1 ILE A 15 15.102 -5.384 0.540 1.00 0.00 C ATOM 0 H ILE A 15 12.775 -4.484 1.601 1.00 0.00 H new ATOM 0 HA ILE A 15 10.889 -5.738 0.051 1.00 0.00 H new ATOM 0 HB ILE A 15 12.451 -5.660 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 15 14.348 -6.817 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 15 14.827 -5.293 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.385 -3.324 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.706 -3.448 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.047 -3.383 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 15 16.125 -5.749 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.113 -4.302 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.627 -5.850 1.403 1.00 0.00 H new ATOM 236 N SER A 16 12.937 -7.906 1.303 1.00 0.00 N ATOM 237 CA SER A 16 13.341 -9.314 1.470 1.00 0.00 C ATOM 238 C SER A 16 12.597 -10.043 2.596 1.00 0.00 C ATOM 239 O SER A 16 12.615 -11.274 2.650 1.00 0.00 O ATOM 240 CB SER A 16 14.858 -9.387 1.694 1.00 0.00 C ATOM 241 OG SER A 16 15.247 -8.592 2.804 1.00 0.00 O ATOM 0 H SER A 16 13.396 -7.288 1.972 1.00 0.00 H new ATOM 0 HA SER A 16 13.066 -9.832 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.155 -10.422 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.378 -9.047 0.799 1.00 0.00 H new ATOM 0 HG SER A 16 16.217 -8.656 2.928 1.00 0.00 H new ATOM 247 N ASP A 17 11.883 -9.310 3.456 1.00 0.00 N ATOM 248 CA ASP A 17 10.975 -9.857 4.479 1.00 0.00 C ATOM 249 C ASP A 17 9.567 -10.181 3.923 1.00 0.00 C ATOM 250 O ASP A 17 8.723 -10.747 4.621 1.00 0.00 O ATOM 251 CB ASP A 17 10.909 -8.862 5.649 1.00 0.00 C ATOM 252 CG ASP A 17 10.259 -9.471 6.898 1.00 0.00 C ATOM 253 OD1 ASP A 17 10.766 -10.499 7.407 1.00 0.00 O ATOM 254 OD2 ASP A 17 9.271 -8.899 7.416 1.00 0.00 O ATOM 0 H ASP A 17 11.919 -8.291 3.463 1.00 0.00 H new ATOM 0 HA ASP A 17 11.372 -10.812 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.917 -8.526 5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.345 -7.981 5.342 1.00 0.00 H new ATOM 259 N THR A 18 9.327 -9.860 2.645 1.00 0.00 N ATOM 260 CA THR A 18 8.074 -10.133 1.909 1.00 0.00 C ATOM 261 C THR A 18 7.665 -11.604 1.865 1.00 0.00 C ATOM 262 O THR A 18 6.477 -11.885 1.703 1.00 0.00 O ATOM 263 CB THR A 18 8.133 -9.636 0.455 1.00 0.00 C ATOM 264 OG1 THR A 18 9.327 -10.025 -0.191 1.00 0.00 O ATOM 265 CG2 THR A 18 7.991 -8.126 0.375 1.00 0.00 C ATOM 0 H THR A 18 10.022 -9.385 2.069 1.00 0.00 H new ATOM 0 HA THR A 18 7.328 -9.584 2.484 1.00 0.00 H new ATOM 0 HB THR A 18 7.292 -10.102 -0.058 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.968 -9.284 -0.167 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.037 -7.811 -0.667 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.034 -7.827 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.800 -7.654 0.933 1.00 0.00 H new ATOM 273 N GLY A 19 8.607 -12.541 2.012 1.00 0.00 N ATOM 274 CA GLY A 19 8.413 -13.994 1.902 1.00 0.00 C ATOM 275 C GLY A 19 7.277 -14.608 2.735 1.00 0.00 C ATOM 276 O GLY A 19 6.793 -15.694 2.398 1.00 0.00 O ATOM 0 H GLY A 19 9.575 -12.296 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.233 -14.234 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.345 -14.483 2.186 1.00 0.00 H new ATOM 280 N SER A 20 6.796 -13.917 3.774 1.00 0.00 N ATOM 281 CA SER A 20 5.619 -14.300 4.567 1.00 0.00 C ATOM 282 C SER A 20 4.289 -14.311 3.798 1.00 0.00 C ATOM 283 O SER A 20 3.421 -15.148 4.061 1.00 0.00 O ATOM 284 CB SER A 20 5.481 -13.354 5.765 1.00 0.00 C ATOM 285 OG SER A 20 5.416 -11.994 5.352 1.00 0.00 O ATOM 0 H SER A 20 7.226 -13.050 4.097 1.00 0.00 H new ATOM 0 HA SER A 20 5.802 -15.330 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.583 -13.607 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.328 -13.491 6.437 1.00 0.00 H new ATOM 0 HG SER A 20 5.327 -11.417 6.139 1.00 0.00 H new ATOM 291 N ALA A 21 4.159 -13.409 2.821 1.00 0.00 N ATOM 292 CA ALA A 21 3.021 -13.283 1.907 1.00 0.00 C ATOM 293 C ALA A 21 3.426 -13.359 0.417 1.00 0.00 C ATOM 294 O ALA A 21 2.565 -13.445 -0.462 1.00 0.00 O ATOM 295 CB ALA A 21 2.295 -11.970 2.232 1.00 0.00 C ATOM 0 H ALA A 21 4.881 -12.712 2.637 1.00 0.00 H new ATOM 0 HA ALA A 21 2.354 -14.132 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.442 -11.851 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.947 -11.992 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.980 -11.133 2.098 1.00 0.00 H new ATOM 301 N GLY A 22 4.729 -13.311 0.126 1.00 0.00 N ATOM 302 CA GLY A 22 5.315 -13.292 -1.220 1.00 0.00 C ATOM 303 C GLY A 22 5.408 -11.891 -1.848 1.00 0.00 C ATOM 304 O GLY A 22 6.031 -11.738 -2.900 1.00 0.00 O ATOM 0 H GLY A 22 5.440 -13.283 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.314 -13.725 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.720 -13.931 -1.872 1.00 0.00 H new ATOM 308 N LEU A 23 4.807 -10.871 -1.217 1.00 0.00 N ATOM 309 CA LEU A 23 4.736 -9.487 -1.710 1.00 0.00 C ATOM 310 C LEU A 23 4.474 -8.465 -0.584 1.00 0.00 C ATOM 311 O LEU A 23 4.188 -8.837 0.558 1.00 0.00 O ATOM 312 CB LEU A 23 3.670 -9.412 -2.833 1.00 0.00 C ATOM 313 CG LEU A 23 2.182 -9.543 -2.449 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.577 -8.225 -1.956 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.383 -9.966 -3.685 1.00 0.00 C ATOM 0 H LEU A 23 4.341 -10.991 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 23 5.708 -9.211 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.797 -8.459 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.895 -10.196 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 23 2.129 -10.276 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.529 -8.379 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.119 -7.883 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.652 -7.474 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.329 -10.061 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.496 -9.214 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.754 -10.924 -4.048 1.00 0.00 H new ATOM 327 N MET A 24 4.510 -7.179 -0.942 1.00 0.00 N ATOM 328 CA MET A 24 4.060 -6.061 -0.106 1.00 0.00 C ATOM 329 C MET A 24 3.159 -5.130 -0.933 1.00 0.00 C ATOM 330 O MET A 24 3.372 -4.953 -2.136 1.00 0.00 O ATOM 331 CB MET A 24 5.285 -5.324 0.475 1.00 0.00 C ATOM 332 CG MET A 24 4.910 -4.099 1.318 1.00 0.00 C ATOM 333 SD MET A 24 6.257 -3.420 2.335 1.00 0.00 S ATOM 334 CE MET A 24 7.371 -2.768 1.057 1.00 0.00 C ATOM 0 H MET A 24 4.864 -6.877 -1.850 1.00 0.00 H new ATOM 0 HA MET A 24 3.470 -6.429 0.733 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.860 -6.017 1.089 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.933 -5.009 -0.343 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.548 -3.316 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.081 -4.368 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.245 -2.320 1.530 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.689 -3.580 0.403 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.849 -2.013 0.470 1.00 0.00 H new ATOM 344 N LEU A 25 2.161 -4.527 -0.289 1.00 0.00 N ATOM 345 CA LEU A 25 1.285 -3.494 -0.842 1.00 0.00 C ATOM 346 C LEU A 25 1.655 -2.153 -0.177 1.00 0.00 C ATOM 347 O LEU A 25 1.928 -2.112 1.025 1.00 0.00 O ATOM 348 CB LEU A 25 -0.173 -3.903 -0.541 1.00 0.00 C ATOM 349 CG LEU A 25 -1.236 -3.449 -1.561 1.00 0.00 C ATOM 350 CD1 LEU A 25 -2.605 -3.981 -1.133 1.00 0.00 C ATOM 351 CD2 LEU A 25 -1.358 -1.935 -1.740 1.00 0.00 C ATOM 0 H LEU A 25 1.930 -4.756 0.678 1.00 0.00 H new ATOM 0 HA LEU A 25 1.398 -3.385 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.214 -4.990 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.445 -3.504 0.436 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.905 -3.853 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.360 -3.662 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.577 -5.070 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.855 -3.590 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.131 -1.717 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.625 -1.476 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.405 -1.531 -2.083 1.00 0.00 H new ATOM 363 N VAL A 26 1.684 -1.051 -0.926 1.00 0.00 N ATOM 364 CA VAL A 26 2.062 0.274 -0.408 1.00 0.00 C ATOM 365 C VAL A 26 1.163 1.351 -1.029 1.00 0.00 C ATOM 366 O VAL A 26 0.781 1.238 -2.190 1.00 0.00 O ATOM 367 CB VAL A 26 3.539 0.578 -0.715 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.069 1.813 0.025 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.521 -0.585 -0.516 1.00 0.00 C ATOM 0 H VAL A 26 1.445 -1.047 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 26 1.930 0.275 0.674 1.00 0.00 H new ATOM 0 HB VAL A 26 3.505 0.776 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.116 1.972 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.487 2.688 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.982 1.658 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.530 -0.255 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.490 -0.914 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.241 -1.413 -1.167 1.00 0.00 H new ATOM 379 N GLU A 27 0.861 2.404 -0.269 1.00 0.00 N ATOM 380 CA GLU A 27 0.060 3.563 -0.672 1.00 0.00 C ATOM 381 C GLU A 27 0.900 4.840 -0.550 1.00 0.00 C ATOM 382 O GLU A 27 1.134 5.368 0.541 1.00 0.00 O ATOM 383 CB GLU A 27 -1.222 3.639 0.175 1.00 0.00 C ATOM 384 CG GLU A 27 -2.132 4.799 -0.251 1.00 0.00 C ATOM 385 CD GLU A 27 -3.406 4.839 0.612 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.355 4.082 0.305 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.463 5.654 1.565 1.00 0.00 O ATOM 0 H GLU A 27 1.185 2.476 0.695 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.241 3.458 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.769 2.700 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.955 3.756 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.594 5.742 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.402 4.689 -1.301 1.00 0.00 H new ATOM 394 N PHE A 28 1.372 5.340 -1.687 1.00 0.00 N ATOM 395 CA PHE A 28 2.141 6.579 -1.771 1.00 0.00 C ATOM 396 C PHE A 28 1.174 7.763 -1.897 1.00 0.00 C ATOM 397 O PHE A 28 0.339 7.778 -2.808 1.00 0.00 O ATOM 398 CB PHE A 28 3.083 6.522 -2.975 1.00 0.00 C ATOM 399 CG PHE A 28 4.082 5.375 -2.986 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.679 4.089 -3.385 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.416 5.597 -2.598 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.587 3.017 -3.352 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.329 4.528 -2.576 1.00 0.00 C ATOM 404 CZ PHE A 28 5.909 3.234 -2.927 1.00 0.00 C ATOM 0 H PHE A 28 1.229 4.890 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 28 2.742 6.705 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.480 6.461 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.636 7.460 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.665 3.924 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.739 6.589 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.270 2.029 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.355 4.702 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.601 2.407 -2.870 1.00 0.00 H new ATOM 414 N PHE A 29 1.249 8.752 -1.000 1.00 0.00 N ATOM 415 CA PHE A 29 0.299 9.872 -0.979 1.00 0.00 C ATOM 416 C PHE A 29 0.879 11.175 -0.417 1.00 0.00 C ATOM 417 O PHE A 29 1.889 11.176 0.279 1.00 0.00 O ATOM 418 CB PHE A 29 -0.974 9.443 -0.225 1.00 0.00 C ATOM 419 CG PHE A 29 -0.891 9.347 1.294 1.00 0.00 C ATOM 420 CD1 PHE A 29 -1.041 10.500 2.092 1.00 0.00 C ATOM 421 CD2 PHE A 29 -0.749 8.094 1.918 1.00 0.00 C ATOM 422 CE1 PHE A 29 -1.049 10.400 3.494 1.00 0.00 C ATOM 423 CE2 PHE A 29 -0.788 7.988 3.322 1.00 0.00 C ATOM 424 CZ PHE A 29 -0.938 9.143 4.107 1.00 0.00 C ATOM 0 H PHE A 29 1.963 8.800 -0.273 1.00 0.00 H new ATOM 0 HA PHE A 29 0.054 10.107 -2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.767 10.148 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.280 8.469 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.150 11.467 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.609 7.208 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.141 11.290 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.703 7.020 3.794 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.968 9.063 5.184 1.00 0.00 H new ATOM 434 N ALA A 30 0.191 12.288 -0.674 1.00 0.00 N ATOM 435 CA ALA A 30 0.479 13.605 -0.090 1.00 0.00 C ATOM 436 C ALA A 30 -0.791 14.147 0.597 1.00 0.00 C ATOM 437 O ALA A 30 -1.807 14.324 -0.084 1.00 0.00 O ATOM 438 CB ALA A 30 0.976 14.532 -1.206 1.00 0.00 C ATOM 0 H ALA A 30 -0.605 12.302 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 30 1.257 13.538 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.195 15.516 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.880 14.115 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.206 14.625 -1.972 1.00 0.00 H new ATOM 444 N PRO A 31 -0.797 14.391 1.925 1.00 0.00 N ATOM 445 CA PRO A 31 -2.023 14.696 2.672 1.00 0.00 C ATOM 446 C PRO A 31 -2.716 16.005 2.251 1.00 0.00 C ATOM 447 O PRO A 31 -3.932 16.129 2.390 1.00 0.00 O ATOM 448 CB PRO A 31 -1.624 14.708 4.156 1.00 0.00 C ATOM 449 CG PRO A 31 -0.115 14.960 4.133 1.00 0.00 C ATOM 450 CD PRO A 31 0.329 14.268 2.848 1.00 0.00 C ATOM 0 HA PRO A 31 -2.776 13.937 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.151 15.489 4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.863 13.762 4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.116 16.025 4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.378 14.539 5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.224 14.737 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.573 13.222 3.031 1.00 0.00 H new ATOM 458 N TRP A 32 -1.978 16.964 1.682 1.00 0.00 N ATOM 459 CA TRP A 32 -2.512 18.258 1.225 1.00 0.00 C ATOM 460 C TRP A 32 -3.506 18.146 0.047 1.00 0.00 C ATOM 461 O TRP A 32 -4.275 19.082 -0.197 1.00 0.00 O ATOM 462 CB TRP A 32 -1.345 19.182 0.849 1.00 0.00 C ATOM 463 CG TRP A 32 -0.246 19.409 1.856 1.00 0.00 C ATOM 464 CD1 TRP A 32 0.968 19.911 1.530 1.00 0.00 C ATOM 465 CD2 TRP A 32 -0.206 19.198 3.315 1.00 0.00 C ATOM 466 NE1 TRP A 32 1.753 20.018 2.661 1.00 0.00 N ATOM 467 CE2 TRP A 32 1.087 19.591 3.786 1.00 0.00 C ATOM 468 CE3 TRP A 32 -1.112 18.729 4.302 1.00 0.00 C ATOM 469 CZ2 TRP A 32 1.463 19.516 5.132 1.00 0.00 C ATOM 470 CZ3 TRP A 32 -0.742 18.640 5.661 1.00 0.00 C ATOM 471 CH2 TRP A 32 0.543 19.032 6.078 1.00 0.00 C ATOM 0 H TRP A 32 -0.976 16.864 1.522 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.083 18.674 2.055 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.887 18.783 -0.056 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.764 20.155 0.592 1.00 0.00 H new ATOM 0 HD1 TRP A 32 1.277 20.187 0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 32 2.710 20.371 2.662 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.108 18.433 4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.450 19.827 5.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.451 18.268 6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.821 18.961 7.119 1.00 0.00 H new ATOM 482 N CYS A 33 -3.526 17.019 -0.675 1.00 0.00 N ATOM 483 CA CYS A 33 -4.410 16.781 -1.822 1.00 0.00 C ATOM 484 C CYS A 33 -5.882 16.478 -1.455 1.00 0.00 C ATOM 485 O CYS A 33 -6.739 16.415 -2.339 1.00 0.00 O ATOM 486 CB CYS A 33 -3.814 15.649 -2.675 1.00 0.00 C ATOM 487 SG CYS A 33 -2.179 16.149 -3.287 1.00 0.00 S ATOM 0 H CYS A 33 -2.913 16.229 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.457 17.714 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.729 14.738 -2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.474 15.424 -3.512 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.669 15.187 -3.997 1.00 0.00 H new ATOM 493 N GLY A 34 -6.199 16.280 -0.167 1.00 0.00 N ATOM 494 CA GLY A 34 -7.566 16.147 0.361 1.00 0.00 C ATOM 495 C GLY A 34 -8.168 14.739 0.245 1.00 0.00 C ATOM 496 O GLY A 34 -8.607 14.169 1.244 1.00 0.00 O ATOM 0 H GLY A 34 -5.488 16.205 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.565 16.441 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.213 16.848 -0.166 1.00 0.00 H new ATOM 500 N HIS A 35 -8.114 14.127 -0.944 1.00 0.00 N ATOM 501 CA HIS A 35 -8.563 12.746 -1.184 1.00 0.00 C ATOM 502 C HIS A 35 -7.787 11.727 -0.327 1.00 0.00 C ATOM 503 O HIS A 35 -8.337 10.722 0.118 1.00 0.00 O ATOM 504 CB HIS A 35 -8.416 12.444 -2.688 1.00 0.00 C ATOM 505 CG HIS A 35 -9.072 11.171 -3.181 1.00 0.00 C ATOM 506 ND1 HIS A 35 -9.462 10.079 -2.433 1.00 0.00 N ATOM 507 CD2 HIS A 35 -9.418 10.904 -4.477 1.00 0.00 C ATOM 508 CE1 HIS A 35 -10.034 9.184 -3.252 1.00 0.00 C ATOM 509 NE2 HIS A 35 -10.020 9.638 -4.521 1.00 0.00 N ATOM 0 H HIS A 35 -7.752 14.583 -1.781 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.608 12.652 -0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.831 13.282 -3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.353 12.396 -2.926 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -9.336 9.971 -1.427 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.255 11.557 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.446 8.236 -2.940 1.00 0.00 H new ATOM 517 N CYS A 36 -6.516 12.015 -0.043 1.00 0.00 N ATOM 518 CA CYS A 36 -5.624 11.159 0.747 1.00 0.00 C ATOM 519 C CYS A 36 -6.096 11.015 2.204 1.00 0.00 C ATOM 520 O CYS A 36 -6.044 9.928 2.773 1.00 0.00 O ATOM 521 CB CYS A 36 -4.219 11.782 0.682 1.00 0.00 C ATOM 522 SG CYS A 36 -3.708 11.999 -1.055 1.00 0.00 S ATOM 0 H CYS A 36 -6.065 12.872 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.622 10.150 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.216 12.745 1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.505 11.143 1.202 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.837 12.961 -1.134 1.00 0.00 H new ATOM 528 N LYS A 37 -6.630 12.104 2.776 1.00 0.00 N ATOM 529 CA LYS A 37 -7.198 12.163 4.140 1.00 0.00 C ATOM 530 C LYS A 37 -8.511 11.382 4.279 1.00 0.00 C ATOM 531 O LYS A 37 -8.796 10.865 5.355 1.00 0.00 O ATOM 532 CB LYS A 37 -7.415 13.635 4.533 1.00 0.00 C ATOM 533 CG LYS A 37 -6.101 14.427 4.635 1.00 0.00 C ATOM 534 CD LYS A 37 -6.332 15.946 4.621 1.00 0.00 C ATOM 535 CE LYS A 37 -7.208 16.420 5.790 1.00 0.00 C ATOM 536 NZ LYS A 37 -7.372 17.896 5.780 1.00 0.00 N ATOM 0 H LYS A 37 -6.682 12.999 2.290 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.483 11.688 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.064 14.110 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.934 13.677 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.582 14.149 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.449 14.153 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.370 16.457 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.803 16.230 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.186 15.943 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.759 16.109 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.968 18.184 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.440 18.349 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.823 18.189 4.890 1.00 0.00 H new ATOM 550 N ARG A 38 -9.279 11.263 3.189 1.00 0.00 N ATOM 551 CA ARG A 38 -10.499 10.431 3.096 1.00 0.00 C ATOM 552 C ARG A 38 -10.181 8.935 2.976 1.00 0.00 C ATOM 553 O ARG A 38 -10.945 8.102 3.468 1.00 0.00 O ATOM 554 CB ARG A 38 -11.354 10.880 1.893 1.00 0.00 C ATOM 555 CG ARG A 38 -11.857 12.329 2.017 1.00 0.00 C ATOM 556 CD ARG A 38 -12.714 12.705 0.802 1.00 0.00 C ATOM 557 NE ARG A 38 -13.202 14.098 0.890 1.00 0.00 N ATOM 558 CZ ARG A 38 -14.317 14.524 1.458 1.00 0.00 C ATOM 559 NH1 ARG A 38 -15.147 13.724 2.071 1.00 0.00 N ATOM 560 NH2 ARG A 38 -14.635 15.788 1.425 1.00 0.00 N ATOM 0 H ARG A 38 -9.069 11.754 2.320 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.055 10.573 4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.766 10.783 0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.210 10.212 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.441 12.441 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.009 13.009 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.129 12.581 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.563 12.025 0.731 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.611 14.812 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.946 12.725 2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.996 14.098 2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.022 16.456 0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.497 16.109 1.866 1.00 0.00 H new ATOM 574 N LEU A 39 -9.052 8.594 2.344 1.00 0.00 N ATOM 575 CA LEU A 39 -8.637 7.215 2.069 1.00 0.00 C ATOM 576 C LEU A 39 -7.797 6.575 3.191 1.00 0.00 C ATOM 577 O LEU A 39 -7.951 5.384 3.462 1.00 0.00 O ATOM 578 CB LEU A 39 -7.862 7.231 0.742 1.00 0.00 C ATOM 579 CG LEU A 39 -7.378 5.852 0.264 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.529 4.862 0.093 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.687 6.033 -1.094 1.00 0.00 C ATOM 0 H LEU A 39 -8.386 9.287 2.002 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.529 6.592 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.498 7.665 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.998 7.887 0.849 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.700 5.450 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.137 3.903 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.039 4.729 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.233 5.247 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.334 5.067 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.395 6.451 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.840 6.710 -0.984 1.00 0.00 H new ATOM 593 N ALA A 40 -6.958 7.353 3.881 1.00 0.00 N ATOM 594 CA ALA A 40 -6.123 6.876 4.988 1.00 0.00 C ATOM 595 C ALA A 40 -6.875 6.087 6.099 1.00 0.00 C ATOM 596 O ALA A 40 -6.362 5.038 6.510 1.00 0.00 O ATOM 597 CB ALA A 40 -5.344 8.071 5.555 1.00 0.00 C ATOM 0 H ALA A 40 -6.838 8.346 3.684 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.442 6.130 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.716 7.737 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.718 8.501 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.045 8.825 5.914 1.00 0.00 H new ATOM 603 N PRO A 41 -8.080 6.495 6.566 1.00 0.00 N ATOM 604 CA PRO A 41 -8.839 5.745 7.570 1.00 0.00 C ATOM 605 C PRO A 41 -9.489 4.462 7.020 1.00 0.00 C ATOM 606 O PRO A 41 -9.944 3.630 7.808 1.00 0.00 O ATOM 607 CB PRO A 41 -9.893 6.716 8.114 1.00 0.00 C ATOM 608 CG PRO A 41 -10.147 7.641 6.928 1.00 0.00 C ATOM 609 CD PRO A 41 -8.774 7.744 6.278 1.00 0.00 C ATOM 0 HA PRO A 41 -8.167 5.390 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.800 6.196 8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.528 7.264 8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.888 7.227 6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.517 8.615 7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.865 7.897 5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.221 8.595 6.675 1.00 0.00 H new ATOM 617 N GLU A 42 -9.511 4.262 5.696 1.00 0.00 N ATOM 618 CA GLU A 42 -9.954 3.010 5.077 1.00 0.00 C ATOM 619 C GLU A 42 -8.774 2.066 4.784 1.00 0.00 C ATOM 620 O GLU A 42 -8.883 0.865 5.013 1.00 0.00 O ATOM 621 CB GLU A 42 -10.747 3.302 3.797 1.00 0.00 C ATOM 622 CG GLU A 42 -12.114 3.927 4.114 1.00 0.00 C ATOM 623 CD GLU A 42 -13.045 3.886 2.885 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.377 2.765 2.430 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.459 4.963 2.388 1.00 0.00 O ATOM 0 H GLU A 42 -9.220 4.970 5.022 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.605 2.501 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.176 3.977 3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.889 2.378 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.578 3.392 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.979 4.959 4.437 1.00 0.00 H new ATOM 632 N TYR A 43 -7.625 2.581 4.351 1.00 0.00 N ATOM 633 CA TYR A 43 -6.439 1.760 4.124 1.00 0.00 C ATOM 634 C TYR A 43 -5.906 1.107 5.417 1.00 0.00 C ATOM 635 O TYR A 43 -5.500 -0.056 5.408 1.00 0.00 O ATOM 636 CB TYR A 43 -5.381 2.631 3.445 1.00 0.00 C ATOM 637 CG TYR A 43 -4.147 1.876 3.000 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.232 0.944 1.943 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.904 2.133 3.609 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.070 0.310 1.463 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.743 1.511 3.125 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.822 0.613 2.039 1.00 0.00 C ATOM 643 OH TYR A 43 -0.677 0.086 1.540 1.00 0.00 O ATOM 0 H TYR A 43 -7.491 3.572 4.149 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.704 0.924 3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.828 3.116 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.081 3.421 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.191 0.717 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.844 2.809 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.136 -0.405 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.788 1.720 3.584 1.00 0.00 H new ATOM 0 HH TYR A 43 0.090 0.597 1.872 1.00 0.00 H new ATOM 653 N GLU A 44 -5.979 1.792 6.565 1.00 0.00 N ATOM 654 CA GLU A 44 -5.630 1.195 7.867 1.00 0.00 C ATOM 655 C GLU A 44 -6.627 0.133 8.348 1.00 0.00 C ATOM 656 O GLU A 44 -6.251 -0.855 8.992 1.00 0.00 O ATOM 657 CB GLU A 44 -5.412 2.289 8.918 1.00 0.00 C ATOM 658 CG GLU A 44 -6.688 3.014 9.376 1.00 0.00 C ATOM 659 CD GLU A 44 -6.412 4.171 10.366 1.00 0.00 C ATOM 660 OE1 GLU A 44 -5.232 4.483 10.675 1.00 0.00 O ATOM 661 OE2 GLU A 44 -7.389 4.763 10.892 1.00 0.00 O ATOM 0 H GLU A 44 -6.278 2.766 6.622 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.693 0.658 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.932 1.844 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.718 3.026 8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.207 3.408 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.358 2.294 9.847 1.00 0.00 H new ATOM 668 N ALA A 45 -7.898 0.287 7.974 1.00 0.00 N ATOM 669 CA ALA A 45 -8.925 -0.730 8.200 1.00 0.00 C ATOM 670 C ALA A 45 -8.663 -1.983 7.347 1.00 0.00 C ATOM 671 O ALA A 45 -8.814 -3.102 7.846 1.00 0.00 O ATOM 672 CB ALA A 45 -10.310 -0.130 7.945 1.00 0.00 C ATOM 0 H ALA A 45 -8.245 1.123 7.504 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.886 -1.054 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.073 -0.890 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.475 0.707 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.370 0.221 6.915 1.00 0.00 H new ATOM 678 N ALA A 46 -8.180 -1.828 6.103 1.00 0.00 N ATOM 679 CA ALA A 46 -7.736 -2.957 5.282 1.00 0.00 C ATOM 680 C ALA A 46 -6.488 -3.639 5.869 1.00 0.00 C ATOM 681 O ALA A 46 -6.435 -4.861 5.937 1.00 0.00 O ATOM 682 CB ALA A 46 -7.469 -2.480 3.854 1.00 0.00 C ATOM 0 H ALA A 46 -8.088 -0.921 5.644 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.532 -3.702 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.139 -3.322 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.384 -2.064 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.694 -1.714 3.865 1.00 0.00 H new ATOM 688 N ALA A 47 -5.513 -2.873 6.376 1.00 0.00 N ATOM 689 CA ALA A 47 -4.324 -3.425 7.025 1.00 0.00 C ATOM 690 C ALA A 47 -4.663 -4.202 8.303 1.00 0.00 C ATOM 691 O ALA A 47 -4.083 -5.251 8.563 1.00 0.00 O ATOM 692 CB ALA A 47 -3.339 -2.291 7.305 1.00 0.00 C ATOM 0 H ALA A 47 -5.530 -1.854 6.346 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.865 -4.147 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.449 -2.693 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.057 -1.814 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.807 -1.556 7.960 1.00 0.00 H new ATOM 698 N THR A 48 -5.661 -3.727 9.059 1.00 0.00 N ATOM 699 CA THR A 48 -6.243 -4.446 10.207 1.00 0.00 C ATOM 700 C THR A 48 -6.948 -5.739 9.768 1.00 0.00 C ATOM 701 O THR A 48 -6.744 -6.787 10.380 1.00 0.00 O ATOM 702 CB THR A 48 -7.219 -3.534 10.976 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.590 -2.320 11.339 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.690 -4.169 12.286 1.00 0.00 C ATOM 0 H THR A 48 -6.095 -2.820 8.891 1.00 0.00 H new ATOM 0 HA THR A 48 -5.425 -4.725 10.871 1.00 0.00 H new ATOM 0 HB THR A 48 -8.062 -3.371 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.464 -1.765 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.376 -3.490 12.793 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.201 -5.108 12.072 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.830 -4.362 12.927 1.00 0.00 H new ATOM 712 N ARG A 49 -7.739 -5.705 8.678 1.00 0.00 N ATOM 713 CA ARG A 49 -8.484 -6.858 8.136 1.00 0.00 C ATOM 714 C ARG A 49 -7.585 -7.942 7.516 1.00 0.00 C ATOM 715 O ARG A 49 -7.906 -9.128 7.591 1.00 0.00 O ATOM 716 CB ARG A 49 -9.498 -6.332 7.095 1.00 0.00 C ATOM 717 CG ARG A 49 -10.610 -7.329 6.719 1.00 0.00 C ATOM 718 CD ARG A 49 -11.475 -7.661 7.932 1.00 0.00 C ATOM 719 NE ARG A 49 -12.675 -8.433 7.546 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.857 -7.963 7.174 1.00 0.00 C ATOM 721 NH1 ARG A 49 -14.104 -6.684 7.083 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.828 -8.783 6.885 1.00 0.00 N ATOM 0 H ARG A 49 -7.881 -4.853 8.136 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.992 -7.347 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.959 -5.424 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.958 -6.053 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.231 -6.907 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.167 -8.242 6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.890 -8.232 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.778 -6.739 8.428 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.582 -9.449 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.373 -6.007 7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.027 -6.362 6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.680 -9.790 6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.736 -8.417 6.599 1.00 0.00 H new ATOM 736 N LEU A 50 -6.454 -7.533 6.943 1.00 0.00 N ATOM 737 CA LEU A 50 -5.495 -8.364 6.201 1.00 0.00 C ATOM 738 C LEU A 50 -4.188 -8.604 6.981 1.00 0.00 C ATOM 739 O LEU A 50 -3.202 -9.080 6.410 1.00 0.00 O ATOM 740 CB LEU A 50 -5.235 -7.692 4.833 1.00 0.00 C ATOM 741 CG LEU A 50 -6.494 -7.450 3.961 1.00 0.00 C ATOM 742 CD1 LEU A 50 -6.103 -6.741 2.662 1.00 0.00 C ATOM 743 CD2 LEU A 50 -7.208 -8.750 3.606 1.00 0.00 C ATOM 0 H LEU A 50 -6.162 -6.557 6.984 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.923 -9.356 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.744 -6.734 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.537 -8.312 4.270 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.173 -6.832 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.994 -6.575 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.640 -5.783 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.397 -7.360 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.083 -8.529 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.530 -9.397 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.522 -9.254 4.520 1.00 0.00 H new ATOM 755 N LYS A 51 -4.177 -8.297 8.287 1.00 0.00 N ATOM 756 CA LYS A 51 -3.046 -8.460 9.215 1.00 0.00 C ATOM 757 C LYS A 51 -2.505 -9.895 9.202 1.00 0.00 C ATOM 758 O LYS A 51 -3.221 -10.844 9.531 1.00 0.00 O ATOM 759 CB LYS A 51 -3.504 -8.006 10.614 1.00 0.00 C ATOM 760 CG LYS A 51 -2.355 -8.011 11.631 1.00 0.00 C ATOM 761 CD LYS A 51 -2.766 -7.416 12.989 1.00 0.00 C ATOM 762 CE LYS A 51 -3.847 -8.255 13.690 1.00 0.00 C ATOM 763 NZ LYS A 51 -4.156 -7.727 15.046 1.00 0.00 N ATOM 0 H LYS A 51 -4.999 -7.908 8.749 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.209 -7.837 8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.925 -7.003 10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.300 -8.663 10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.008 -9.034 11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.516 -7.444 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.889 -7.346 13.633 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.135 -6.401 12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.754 -8.260 13.085 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.511 -9.289 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.889 -8.317 15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.296 -7.746 15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.500 -6.749 14.968 1.00 0.00 H new ATOM 777 N GLY A 52 -1.240 -10.057 8.804 1.00 0.00 N ATOM 778 CA GLY A 52 -0.568 -11.356 8.652 1.00 0.00 C ATOM 779 C GLY A 52 -0.892 -12.108 7.350 1.00 0.00 C ATOM 780 O GLY A 52 -0.337 -13.183 7.119 1.00 0.00 O ATOM 0 H GLY A 52 -0.636 -9.268 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.509 -11.199 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.839 -11.989 9.497 1.00 0.00 H new ATOM 784 N ILE A 53 -1.761 -11.557 6.494 1.00 0.00 N ATOM 785 CA ILE A 53 -2.172 -12.141 5.201 1.00 0.00 C ATOM 786 C ILE A 53 -1.483 -11.409 4.036 1.00 0.00 C ATOM 787 O ILE A 53 -1.003 -12.050 3.101 1.00 0.00 O ATOM 788 CB ILE A 53 -3.710 -12.117 5.043 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.492 -12.601 6.286 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.133 -12.940 3.814 1.00 0.00 C ATOM 791 CD1 ILE A 53 -4.174 -14.028 6.760 1.00 0.00 C ATOM 0 H ILE A 53 -2.215 -10.664 6.684 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.856 -13.184 5.182 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.970 -11.067 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.294 -11.913 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.558 -12.539 6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.218 -12.914 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.677 -12.518 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.804 -13.972 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.778 -14.263 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.401 -14.735 5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.117 -14.099 7.018 1.00 0.00 H new ATOM 803 N VAL A 54 -1.385 -10.073 4.111 1.00 0.00 N ATOM 804 CA VAL A 54 -0.570 -9.242 3.204 1.00 0.00 C ATOM 805 C VAL A 54 -0.091 -7.956 3.914 1.00 0.00 C ATOM 806 O VAL A 54 -0.924 -7.196 4.423 1.00 0.00 O ATOM 807 CB VAL A 54 -1.304 -8.945 1.876 1.00 0.00 C ATOM 808 CG1 VAL A 54 -2.699 -8.341 2.017 1.00 0.00 C ATOM 809 CG2 VAL A 54 -0.475 -8.042 0.956 1.00 0.00 C ATOM 0 H VAL A 54 -1.879 -9.527 4.817 1.00 0.00 H new ATOM 0 HA VAL A 54 0.319 -9.814 2.937 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.431 -9.935 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.124 -8.172 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.338 -9.026 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.633 -7.393 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.026 -7.858 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.279 -7.094 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.470 -8.531 0.722 1.00 0.00 H new ATOM 819 N PRO A 55 1.232 -7.685 3.978 1.00 0.00 N ATOM 820 CA PRO A 55 1.784 -6.413 4.455 1.00 0.00 C ATOM 821 C PRO A 55 1.261 -5.201 3.665 1.00 0.00 C ATOM 822 O PRO A 55 1.321 -5.188 2.432 1.00 0.00 O ATOM 823 CB PRO A 55 3.309 -6.542 4.322 1.00 0.00 C ATOM 824 CG PRO A 55 3.557 -8.044 4.344 1.00 0.00 C ATOM 825 CD PRO A 55 2.313 -8.606 3.656 1.00 0.00 C ATOM 0 HA PRO A 55 1.477 -6.231 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.668 -6.092 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.825 -6.041 5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.469 -8.311 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.661 -8.421 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.460 -8.675 2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.089 -9.611 4.013 1.00 0.00 H new ATOM 833 N LEU A 56 0.825 -4.158 4.379 1.00 0.00 N ATOM 834 CA LEU A 56 0.399 -2.862 3.830 1.00 0.00 C ATOM 835 C LEU A 56 1.286 -1.731 4.386 1.00 0.00 C ATOM 836 O LEU A 56 1.624 -1.728 5.574 1.00 0.00 O ATOM 837 CB LEU A 56 -1.083 -2.605 4.178 1.00 0.00 C ATOM 838 CG LEU A 56 -2.082 -2.949 3.055 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.179 -4.438 2.736 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.471 -2.479 3.474 1.00 0.00 C ATOM 0 H LEU A 56 0.756 -4.193 5.396 1.00 0.00 H new ATOM 0 HA LEU A 56 0.506 -2.884 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.339 -3.187 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.202 -1.554 4.441 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.714 -2.448 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.903 -4.592 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.203 -4.806 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.500 -4.980 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.188 -2.716 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.763 -2.983 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.456 -1.402 3.638 1.00 0.00 H new ATOM 852 N ALA A 57 1.632 -0.741 3.557 1.00 0.00 N ATOM 853 CA ALA A 57 2.543 0.342 3.925 1.00 0.00 C ATOM 854 C ALA A 57 2.142 1.691 3.314 1.00 0.00 C ATOM 855 O ALA A 57 1.301 1.726 2.418 1.00 0.00 O ATOM 856 CB ALA A 57 3.940 -0.063 3.451 1.00 0.00 C ATOM 0 H ALA A 57 1.282 -0.670 2.601 1.00 0.00 H new ATOM 0 HA ALA A 57 2.511 0.484 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.653 0.721 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.234 -0.993 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.930 -0.206 2.370 1.00 0.00 H new ATOM 862 N LYS A 58 2.771 2.784 3.738 1.00 0.00 N ATOM 863 CA LYS A 58 2.584 4.141 3.197 1.00 0.00 C ATOM 864 C LYS A 58 3.908 4.906 3.041 1.00 0.00 C ATOM 865 O LYS A 58 4.888 4.579 3.711 1.00 0.00 O ATOM 866 CB LYS A 58 1.585 4.934 4.066 1.00 0.00 C ATOM 867 CG LYS A 58 2.070 5.101 5.515 1.00 0.00 C ATOM 868 CD LYS A 58 1.353 6.191 6.320 1.00 0.00 C ATOM 869 CE LYS A 58 1.806 7.574 5.834 1.00 0.00 C ATOM 870 NZ LYS A 58 1.605 8.633 6.850 1.00 0.00 N ATOM 0 H LYS A 58 3.452 2.755 4.497 1.00 0.00 H new ATOM 0 HA LYS A 58 2.171 4.032 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.425 5.917 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.622 4.423 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.950 4.150 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.137 5.324 5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.274 6.090 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.574 6.077 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.861 7.532 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.256 7.835 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.733 9.566 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.643 8.563 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.298 8.515 7.616 1.00 0.00 H new ATOM 884 N VAL A 59 3.888 5.964 2.225 1.00 0.00 N ATOM 885 CA VAL A 59 4.983 6.946 2.058 1.00 0.00 C ATOM 886 C VAL A 59 4.375 8.343 1.847 1.00 0.00 C ATOM 887 O VAL A 59 3.514 8.523 0.981 1.00 0.00 O ATOM 888 CB VAL A 59 5.905 6.599 0.866 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.095 7.568 0.770 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.479 5.178 0.945 1.00 0.00 C ATOM 0 H VAL A 59 3.082 6.175 1.637 1.00 0.00 H new ATOM 0 HA VAL A 59 5.594 6.923 2.960 1.00 0.00 H new ATOM 0 HB VAL A 59 5.266 6.682 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.721 7.293 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.726 8.585 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.683 7.514 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.117 4.995 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.065 5.073 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.663 4.456 0.953 1.00 0.00 H new ATOM 900 N ASP A 60 4.822 9.324 2.637 1.00 0.00 N ATOM 901 CA ASP A 60 4.336 10.712 2.613 1.00 0.00 C ATOM 902 C ASP A 60 5.100 11.561 1.579 1.00 0.00 C ATOM 903 O ASP A 60 6.151 12.112 1.899 1.00 0.00 O ATOM 904 CB ASP A 60 4.464 11.341 4.012 1.00 0.00 C ATOM 905 CG ASP A 60 3.717 10.565 5.103 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.525 10.854 5.368 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.331 9.670 5.732 1.00 0.00 O ATOM 0 H ASP A 60 5.553 9.173 3.332 1.00 0.00 H new ATOM 0 HA ASP A 60 3.286 10.694 2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.519 11.402 4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.084 12.362 3.979 1.00 0.00 H new ATOM 912 N CYS A 61 4.612 11.676 0.346 1.00 0.00 N ATOM 913 CA CYS A 61 5.278 12.374 -0.758 1.00 0.00 C ATOM 914 C CYS A 61 5.459 13.892 -0.573 1.00 0.00 C ATOM 915 O CYS A 61 6.385 14.465 -1.149 1.00 0.00 O ATOM 916 CB CYS A 61 4.500 12.082 -2.048 1.00 0.00 C ATOM 917 SG CYS A 61 4.353 10.323 -2.430 1.00 0.00 S ATOM 0 H CYS A 61 3.714 11.274 0.076 1.00 0.00 H new ATOM 0 HA CYS A 61 6.297 11.988 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.501 12.510 -1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.993 12.585 -2.880 1.00 0.00 H new ATOM 922 N THR A 62 4.644 14.554 0.256 1.00 0.00 N ATOM 923 CA THR A 62 4.876 15.968 0.657 1.00 0.00 C ATOM 924 C THR A 62 6.147 16.141 1.515 1.00 0.00 C ATOM 925 O THR A 62 6.749 17.216 1.552 1.00 0.00 O ATOM 926 CB THR A 62 3.642 16.528 1.388 1.00 0.00 C ATOM 927 OG1 THR A 62 3.682 17.937 1.401 1.00 0.00 O ATOM 928 CG2 THR A 62 3.501 16.051 2.835 1.00 0.00 C ATOM 0 H THR A 62 3.809 14.140 0.671 1.00 0.00 H new ATOM 0 HA THR A 62 5.037 16.538 -0.258 1.00 0.00 H new ATOM 0 HB THR A 62 2.785 16.151 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.789 18.288 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.607 16.491 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.418 14.964 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.377 16.357 3.406 1.00 0.00 H new ATOM 936 N ALA A 63 6.575 15.054 2.169 1.00 0.00 N ATOM 937 CA ALA A 63 7.683 15.000 3.129 1.00 0.00 C ATOM 938 C ALA A 63 8.868 14.125 2.638 1.00 0.00 C ATOM 939 O ALA A 63 9.962 14.182 3.208 1.00 0.00 O ATOM 940 CB ALA A 63 7.077 14.480 4.439 1.00 0.00 C ATOM 0 H ALA A 63 6.136 14.143 2.036 1.00 0.00 H new ATOM 0 HA ALA A 63 8.125 15.988 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.855 14.416 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.296 15.162 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.648 13.491 4.274 1.00 0.00 H new ATOM 946 N ASN A 64 8.665 13.344 1.566 1.00 0.00 N ATOM 947 CA ASN A 64 9.604 12.383 0.968 1.00 0.00 C ATOM 948 C ASN A 64 9.487 12.367 -0.567 1.00 0.00 C ATOM 949 O ASN A 64 9.246 11.360 -1.230 1.00 0.00 O ATOM 950 CB ASN A 64 9.364 10.985 1.509 1.00 0.00 C ATOM 951 CG ASN A 64 9.415 10.851 3.017 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.440 10.558 3.614 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.291 11.022 3.671 1.00 0.00 N ATOM 0 H ASN A 64 7.780 13.369 1.060 1.00 0.00 H new ATOM 0 HA ASN A 64 10.610 12.703 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.388 10.644 1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.107 10.315 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.269 10.910 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.439 11.267 3.166 1.00 0.00 H new ATOM 960 N THR A 65 9.588 13.559 -1.117 1.00 0.00 N ATOM 961 CA THR A 65 9.291 13.872 -2.528 1.00 0.00 C ATOM 962 C THR A 65 10.278 13.203 -3.481 1.00 0.00 C ATOM 963 O THR A 65 9.873 12.671 -4.508 1.00 0.00 O ATOM 964 CB THR A 65 9.249 15.397 -2.761 1.00 0.00 C ATOM 965 OG1 THR A 65 8.525 16.036 -1.730 1.00 0.00 O ATOM 966 CG2 THR A 65 8.579 15.772 -4.083 1.00 0.00 C ATOM 0 H THR A 65 9.889 14.377 -0.587 1.00 0.00 H new ATOM 0 HA THR A 65 8.303 13.466 -2.746 1.00 0.00 H new ATOM 0 HB THR A 65 10.289 15.724 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.734 15.503 -1.507 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.577 16.856 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.129 15.323 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.553 15.405 -4.088 1.00 0.00 H new ATOM 974 N ASN A 66 11.558 13.144 -3.105 1.00 0.00 N ATOM 975 CA ASN A 66 12.593 12.432 -3.862 1.00 0.00 C ATOM 976 C ASN A 66 12.333 10.917 -3.894 1.00 0.00 C ATOM 977 O ASN A 66 12.446 10.293 -4.951 1.00 0.00 O ATOM 978 CB ASN A 66 13.965 12.761 -3.246 1.00 0.00 C ATOM 979 CG ASN A 66 14.389 14.207 -3.476 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.284 14.747 -4.570 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.872 14.882 -2.455 1.00 0.00 N ATOM 0 H ASN A 66 11.909 13.593 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 66 12.574 12.764 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.933 12.563 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.717 12.096 -3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.158 15.854 -2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.960 14.434 -1.543 1.00 0.00 H new ATOM 988 N THR A 67 11.880 10.335 -2.773 1.00 0.00 N ATOM 989 CA THR A 67 11.429 8.930 -2.703 1.00 0.00 C ATOM 990 C THR A 67 10.214 8.700 -3.604 1.00 0.00 C ATOM 991 O THR A 67 10.171 7.726 -4.351 1.00 0.00 O ATOM 992 CB THR A 67 11.081 8.523 -1.258 1.00 0.00 C ATOM 993 OG1 THR A 67 12.130 8.891 -0.381 1.00 0.00 O ATOM 994 CG2 THR A 67 10.846 7.020 -1.102 1.00 0.00 C ATOM 0 H THR A 67 11.815 10.827 -1.882 1.00 0.00 H new ATOM 0 HA THR A 67 12.255 8.310 -3.051 1.00 0.00 H new ATOM 0 HB THR A 67 10.156 9.045 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.898 8.629 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.605 6.795 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.018 6.713 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.747 6.479 -1.391 1.00 0.00 H new ATOM 1002 N CYS A 68 9.244 9.611 -3.626 1.00 0.00 N ATOM 1003 CA CYS A 68 8.074 9.473 -4.495 1.00 0.00 C ATOM 1004 C CYS A 68 8.371 9.720 -5.985 1.00 0.00 C ATOM 1005 O CYS A 68 7.749 9.094 -6.845 1.00 0.00 O ATOM 1006 CB CYS A 68 6.970 10.362 -3.937 1.00 0.00 C ATOM 1007 SG CYS A 68 6.277 9.679 -2.407 1.00 0.00 S ATOM 0 H CYS A 68 9.244 10.454 -3.052 1.00 0.00 H new ATOM 0 HA CYS A 68 7.743 8.435 -4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.366 11.359 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.179 10.471 -4.679 1.00 0.00 H new ATOM 1012 N ASN A 69 9.358 10.558 -6.327 1.00 0.00 N ATOM 1013 CA ASN A 69 9.810 10.734 -7.723 1.00 0.00 C ATOM 1014 C ASN A 69 10.621 9.525 -8.231 1.00 0.00 C ATOM 1015 O ASN A 69 10.495 9.150 -9.401 1.00 0.00 O ATOM 1016 CB ASN A 69 10.608 12.043 -7.865 1.00 0.00 C ATOM 1017 CG ASN A 69 9.689 13.242 -8.027 1.00 0.00 C ATOM 1018 OD1 ASN A 69 9.694 13.942 -9.030 1.00 0.00 O ATOM 1019 ND2 ASN A 69 8.839 13.491 -7.059 1.00 0.00 N ATOM 0 H ASN A 69 9.866 11.131 -5.653 1.00 0.00 H new ATOM 0 HA ASN A 69 8.922 10.798 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.238 12.183 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.272 11.974 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.183 14.268 -7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.834 12.908 -6.222 1.00 0.00 H new ATOM 1026 N LYS A 70 11.387 8.867 -7.346 1.00 0.00 N ATOM 1027 CA LYS A 70 12.056 7.570 -7.591 1.00 0.00 C ATOM 1028 C LYS A 70 11.061 6.437 -7.903 1.00 0.00 C ATOM 1029 O LYS A 70 11.417 5.493 -8.609 1.00 0.00 O ATOM 1030 CB LYS A 70 12.931 7.257 -6.359 1.00 0.00 C ATOM 1031 CG LYS A 70 13.680 5.919 -6.411 1.00 0.00 C ATOM 1032 CD LYS A 70 14.588 5.751 -5.182 1.00 0.00 C ATOM 1033 CE LYS A 70 15.216 4.353 -5.164 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.169 4.188 -4.034 1.00 0.00 N ATOM 0 H LYS A 70 11.566 9.231 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 70 12.678 7.643 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.660 8.058 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.298 7.266 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.964 5.098 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.279 5.868 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.372 6.508 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.010 5.908 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.429 3.602 -5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.735 4.176 -6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.442 3.188 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.016 4.766 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.716 4.495 -3.150 1.00 0.00 H new ATOM 1048 N TYR A 71 9.819 6.554 -7.422 1.00 0.00 N ATOM 1049 CA TYR A 71 8.776 5.511 -7.543 1.00 0.00 C ATOM 1050 C TYR A 71 7.669 5.858 -8.551 1.00 0.00 C ATOM 1051 O TYR A 71 6.931 4.967 -8.987 1.00 0.00 O ATOM 1052 CB TYR A 71 8.173 5.188 -6.160 1.00 0.00 C ATOM 1053 CG TYR A 71 9.014 4.254 -5.311 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.299 4.646 -4.902 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.513 2.997 -4.919 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.068 3.820 -4.061 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.267 2.164 -4.068 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.544 2.585 -3.628 1.00 0.00 C ATOM 1059 OH TYR A 71 11.279 1.821 -2.782 1.00 0.00 O ATOM 0 H TYR A 71 9.498 7.387 -6.928 1.00 0.00 H new ATOM 0 HA TYR A 71 9.275 4.626 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.025 6.120 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.188 4.742 -6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.701 5.591 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.546 2.670 -5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.054 4.131 -3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.872 1.209 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 71 10.699 1.158 -2.353 1.00 0.00 H new ATOM 1069 N GLY A 72 7.562 7.127 -8.956 1.00 0.00 N ATOM 1070 CA GLY A 72 6.692 7.579 -10.051 1.00 0.00 C ATOM 1071 C GLY A 72 5.297 8.013 -9.600 1.00 0.00 C ATOM 1072 O GLY A 72 4.318 7.814 -10.324 1.00 0.00 O ATOM 0 H GLY A 72 8.088 7.886 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.173 8.413 -10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.593 6.773 -10.778 1.00 0.00 H new ATOM 1076 N VAL A 73 5.183 8.567 -8.387 1.00 0.00 N ATOM 1077 CA VAL A 73 3.914 8.979 -7.739 1.00 0.00 C ATOM 1078 C VAL A 73 3.436 10.350 -8.280 1.00 0.00 C ATOM 1079 O VAL A 73 3.150 11.294 -7.543 1.00 0.00 O ATOM 1080 CB VAL A 73 4.052 8.971 -6.199 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.687 9.001 -5.492 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.803 7.735 -5.677 1.00 0.00 C ATOM 0 H VAL A 73 5.997 8.751 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 73 3.144 8.251 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 73 4.618 9.874 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.836 8.994 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.149 9.905 -5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.107 8.125 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.870 7.782 -4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.265 6.833 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.807 7.713 -6.102 1.00 0.00 H new ATOM 1092 N SER A 74 3.402 10.492 -9.608 1.00 0.00 N ATOM 1093 CA SER A 74 2.943 11.690 -10.337 1.00 0.00 C ATOM 1094 C SER A 74 1.446 12.035 -10.182 1.00 0.00 C ATOM 1095 O SER A 74 1.002 13.072 -10.686 1.00 0.00 O ATOM 1096 CB SER A 74 3.287 11.539 -11.823 1.00 0.00 C ATOM 1097 OG SER A 74 2.642 10.399 -12.381 1.00 0.00 O ATOM 0 H SER A 74 3.705 9.747 -10.236 1.00 0.00 H new ATOM 0 HA SER A 74 3.472 12.527 -9.880 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.982 12.435 -12.364 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.366 11.446 -11.943 1.00 0.00 H new ATOM 0 HG SER A 74 2.874 10.323 -13.330 1.00 0.00 H new ATOM 1103 N GLY A 75 0.654 11.196 -9.497 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.811 11.317 -9.404 1.00 0.00 C ATOM 1105 C GLY A 75 -1.410 10.699 -8.137 1.00 0.00 C ATOM 1106 O GLY A 75 -2.341 9.895 -8.224 1.00 0.00 O ATOM 0 H GLY A 75 1.021 10.397 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.081 12.372 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.260 10.840 -10.275 1.00 0.00 H new ATOM 1110 N TYR A 76 -0.850 11.028 -6.966 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.309 10.545 -5.650 1.00 0.00 C ATOM 1112 C TYR A 76 -2.822 10.768 -5.355 1.00 0.00 C ATOM 1113 O TYR A 76 -3.413 11.735 -5.860 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.436 11.119 -4.520 1.00 0.00 C ATOM 1115 CG TYR A 76 0.290 12.442 -4.744 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.409 13.588 -5.188 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.674 12.526 -4.493 1.00 0.00 C ATOM 1118 CE1 TYR A 76 0.277 14.801 -5.399 1.00 0.00 C ATOM 1119 CE2 TYR A 76 2.360 13.741 -4.688 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.661 14.881 -5.140 1.00 0.00 C ATOM 1121 OH TYR A 76 2.327 16.050 -5.340 1.00 0.00 O ATOM 0 H TYR A 76 -0.046 11.652 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.190 9.462 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.071 11.237 -3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.315 10.369 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.473 13.534 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.212 11.655 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.257 15.668 -5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.420 13.800 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 76 3.273 15.931 -5.112 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.446 9.933 -4.490 1.00 0.00 N ATOM 1132 CA PRO A 77 -2.876 8.736 -3.860 1.00 0.00 C ATOM 1133 C PRO A 77 -2.689 7.593 -4.875 1.00 0.00 C ATOM 1134 O PRO A 77 -3.536 7.353 -5.742 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.855 8.347 -2.748 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.200 8.869 -3.246 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.832 10.105 -4.066 1.00 0.00 C ATOM 0 HA PRO A 77 -1.881 8.934 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.877 7.268 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.578 8.799 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.717 8.126 -3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.862 9.121 -2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.490 10.206 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.945 11.011 -3.471 1.00 0.00 H new ATOM 1145 N THR A 78 -1.572 6.872 -4.760 1.00 0.00 N ATOM 1146 CA THR A 78 -1.146 5.828 -5.709 1.00 0.00 C ATOM 1147 C THR A 78 -0.783 4.564 -4.940 1.00 0.00 C ATOM 1148 O THR A 78 0.218 4.528 -4.227 1.00 0.00 O ATOM 1149 CB THR A 78 0.048 6.281 -6.564 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.193 7.536 -7.164 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.347 5.300 -7.699 1.00 0.00 C ATOM 0 H THR A 78 -0.919 6.997 -3.987 1.00 0.00 H new ATOM 0 HA THR A 78 -1.977 5.630 -6.387 1.00 0.00 H new ATOM 0 HB THR A 78 0.893 6.334 -5.878 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.585 7.797 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.198 5.661 -8.277 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.581 4.321 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.524 5.219 -8.349 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.611 3.522 -5.064 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.331 2.204 -4.496 1.00 0.00 C ATOM 1161 C LEU A 79 -0.544 1.335 -5.491 1.00 0.00 C ATOM 1162 O LEU A 79 -0.798 1.381 -6.698 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.636 1.515 -4.051 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.333 2.174 -2.845 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.246 3.340 -3.255 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -4.209 1.142 -2.135 1.00 0.00 C ATOM 0 H LEU A 79 -2.498 3.572 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.708 2.335 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.329 1.503 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.416 0.476 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.542 2.554 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.711 3.767 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.655 4.105 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.020 2.976 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.702 1.608 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.962 0.765 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.589 0.315 -1.788 1.00 0.00 H new ATOM 1178 N LYS A 80 0.398 0.530 -4.992 1.00 0.00 N ATOM 1179 CA LYS A 80 1.256 -0.370 -5.789 1.00 0.00 C ATOM 1180 C LYS A 80 1.558 -1.679 -5.052 1.00 0.00 C ATOM 1181 O LYS A 80 1.652 -1.705 -3.825 1.00 0.00 O ATOM 1182 CB LYS A 80 2.580 0.338 -6.143 1.00 0.00 C ATOM 1183 CG LYS A 80 2.423 1.509 -7.122 1.00 0.00 C ATOM 1184 CD LYS A 80 3.777 1.947 -7.702 1.00 0.00 C ATOM 1185 CE LYS A 80 3.554 2.953 -8.836 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.801 3.186 -9.611 1.00 0.00 N ATOM 0 H LYS A 80 0.596 0.480 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 80 0.710 -0.616 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.040 0.705 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.266 -0.392 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.756 1.219 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.956 2.351 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.390 2.396 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.321 1.079 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.774 2.585 -9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.200 3.897 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.564 3.614 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.425 3.827 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.287 2.280 -9.767 1.00 0.00 H new ATOM 1200 N ILE A 81 1.727 -2.750 -5.823 1.00 0.00 N ATOM 1201 CA ILE A 81 2.038 -4.113 -5.369 1.00 0.00 C ATOM 1202 C ILE A 81 3.476 -4.456 -5.779 1.00 0.00 C ATOM 1203 O ILE A 81 3.902 -4.176 -6.904 1.00 0.00 O ATOM 1204 CB ILE A 81 1.009 -5.123 -5.954 1.00 0.00 C ATOM 1205 CG1 ILE A 81 -0.373 -5.097 -5.256 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.515 -6.576 -5.864 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -1.189 -3.809 -5.439 1.00 0.00 C ATOM 0 H ILE A 81 1.647 -2.693 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 81 1.965 -4.175 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 81 0.895 -4.799 -6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.963 -5.935 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.223 -5.262 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.767 -7.249 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.445 -6.673 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.692 -6.836 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.137 -3.901 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.629 -2.964 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.380 -3.647 -6.500 1.00 0.00 H new ATOM 1219 N PHE A 82 4.212 -5.107 -4.874 1.00 0.00 N ATOM 1220 CA PHE A 82 5.644 -5.401 -5.000 1.00 0.00 C ATOM 1221 C PHE A 82 5.937 -6.866 -4.668 1.00 0.00 C ATOM 1222 O PHE A 82 6.230 -7.215 -3.522 1.00 0.00 O ATOM 1223 CB PHE A 82 6.460 -4.449 -4.110 1.00 0.00 C ATOM 1224 CG PHE A 82 6.285 -2.981 -4.421 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.257 -2.243 -3.808 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.156 -2.351 -5.326 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.107 -0.876 -4.091 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.012 -0.980 -5.606 1.00 0.00 C ATOM 1229 CZ PHE A 82 5.986 -0.246 -4.988 1.00 0.00 C ATOM 0 H PHE A 82 3.814 -5.457 -4.002 1.00 0.00 H new ATOM 0 HA PHE A 82 5.942 -5.239 -6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.183 -4.621 -3.070 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.516 -4.702 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.582 -2.728 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 82 7.937 -2.920 -5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.317 -0.310 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 82 7.688 -0.493 -6.294 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.872 0.806 -5.203 1.00 0.00 H new ATOM 1239 N ARG A 83 5.808 -7.743 -5.663 1.00 0.00 N ATOM 1240 CA ARG A 83 6.120 -9.183 -5.534 1.00 0.00 C ATOM 1241 C ARG A 83 7.624 -9.373 -5.339 1.00 0.00 C ATOM 1242 O ARG A 83 8.430 -8.821 -6.087 1.00 0.00 O ATOM 1243 CB ARG A 83 5.573 -9.992 -6.725 1.00 0.00 C ATOM 1244 CG ARG A 83 4.036 -10.067 -6.688 1.00 0.00 C ATOM 1245 CD ARG A 83 3.466 -10.902 -7.836 1.00 0.00 C ATOM 1246 NE ARG A 83 2.010 -11.088 -7.681 1.00 0.00 N ATOM 1247 CZ ARG A 83 1.234 -11.861 -8.421 1.00 0.00 C ATOM 1248 NH1 ARG A 83 1.696 -12.522 -9.445 1.00 0.00 N ATOM 1249 NH2 ARG A 83 -0.037 -11.988 -8.146 1.00 0.00 N ATOM 0 H ARG A 83 5.482 -7.481 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 83 5.616 -9.574 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.895 -9.532 -7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.989 -10.999 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.719 -10.496 -5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.624 -9.059 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.675 -10.411 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.960 -11.873 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 83 1.558 -10.569 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.682 -12.451 -9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.071 -13.110 -9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.440 -11.488 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.626 -12.587 -8.724 1.00 0.00 H new ATOM 1263 N ASP A 84 7.986 -10.124 -4.300 1.00 0.00 N ATOM 1264 CA ASP A 84 9.364 -10.266 -3.798 1.00 0.00 C ATOM 1265 C ASP A 84 10.070 -8.899 -3.568 1.00 0.00 C ATOM 1266 O ASP A 84 11.288 -8.771 -3.704 1.00 0.00 O ATOM 1267 CB ASP A 84 10.135 -11.244 -4.701 1.00 0.00 C ATOM 1268 CG ASP A 84 11.466 -11.721 -4.094 1.00 0.00 C ATOM 1269 OD1 ASP A 84 11.481 -12.186 -2.929 1.00 0.00 O ATOM 1270 OD2 ASP A 84 12.500 -11.702 -4.805 1.00 0.00 O ATOM 0 H ASP A 84 7.312 -10.670 -3.763 1.00 0.00 H new ATOM 0 HA ASP A 84 9.339 -10.701 -2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.506 -12.111 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.333 -10.762 -5.659 1.00 0.00 H new ATOM 1275 N GLY A 85 9.290 -7.853 -3.243 1.00 0.00 N ATOM 1276 CA GLY A 85 9.788 -6.496 -2.967 1.00 0.00 C ATOM 1277 C GLY A 85 10.204 -5.685 -4.204 1.00 0.00 C ATOM 1278 O GLY A 85 10.982 -4.737 -4.086 1.00 0.00 O ATOM 0 H GLY A 85 8.276 -7.930 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.014 -5.944 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.644 -6.570 -2.297 1.00 0.00 H new ATOM 1282 N GLU A 86 9.695 -6.035 -5.387 1.00 0.00 N ATOM 1283 CA GLU A 86 9.951 -5.373 -6.678 1.00 0.00 C ATOM 1284 C GLU A 86 8.628 -5.158 -7.431 1.00 0.00 C ATOM 1285 O GLU A 86 7.728 -5.997 -7.384 1.00 0.00 O ATOM 1286 CB GLU A 86 10.902 -6.233 -7.532 1.00 0.00 C ATOM 1287 CG GLU A 86 12.391 -6.044 -7.208 1.00 0.00 C ATOM 1288 CD GLU A 86 12.950 -4.781 -7.892 1.00 0.00 C ATOM 1289 OE1 GLU A 86 12.741 -3.651 -7.384 1.00 0.00 O ATOM 1290 OE2 GLU A 86 13.596 -4.907 -8.963 1.00 0.00 O ATOM 0 H GLU A 86 9.060 -6.828 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 86 10.416 -4.405 -6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.643 -7.283 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.739 -5.998 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.525 -5.967 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.952 -6.919 -7.537 1.00 0.00 H new ATOM 1297 N GLU A 87 8.487 -4.008 -8.103 1.00 0.00 N ATOM 1298 CA GLU A 87 7.216 -3.552 -8.700 1.00 0.00 C ATOM 1299 C GLU A 87 6.584 -4.606 -9.629 1.00 0.00 C ATOM 1300 O GLU A 87 7.195 -5.025 -10.618 1.00 0.00 O ATOM 1301 CB GLU A 87 7.442 -2.218 -9.437 1.00 0.00 C ATOM 1302 CG GLU A 87 6.127 -1.603 -9.938 1.00 0.00 C ATOM 1303 CD GLU A 87 6.379 -0.323 -10.758 1.00 0.00 C ATOM 1304 OE1 GLU A 87 6.844 -0.419 -11.920 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.090 0.791 -10.253 1.00 0.00 O ATOM 0 H GLU A 87 9.259 -3.358 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 87 6.502 -3.400 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.939 -1.515 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.111 -2.380 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.594 -2.330 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.485 -1.371 -9.088 1.00 0.00 H new ATOM 1312 N ALA A 88 5.344 -5.002 -9.314 1.00 0.00 N ATOM 1313 CA ALA A 88 4.637 -6.095 -9.987 1.00 0.00 C ATOM 1314 C ALA A 88 3.188 -5.761 -10.395 1.00 0.00 C ATOM 1315 O ALA A 88 2.588 -6.498 -11.181 1.00 0.00 O ATOM 1316 CB ALA A 88 4.689 -7.320 -9.068 1.00 0.00 C ATOM 0 H ALA A 88 4.797 -4.564 -8.573 1.00 0.00 H new ATOM 0 HA ALA A 88 5.141 -6.289 -10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.170 -8.153 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.728 -7.596 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.206 -7.084 -8.120 1.00 0.00 H new ATOM 1322 N GLY A 89 2.633 -4.642 -9.915 1.00 0.00 N ATOM 1323 CA GLY A 89 1.340 -4.137 -10.374 1.00 0.00 C ATOM 1324 C GLY A 89 0.900 -2.847 -9.691 1.00 0.00 C ATOM 1325 O GLY A 89 0.610 -2.840 -8.496 1.00 0.00 O ATOM 0 H GLY A 89 3.070 -4.063 -9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.389 -3.968 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.582 -4.902 -10.205 1.00 0.00 H new ATOM 1329 N ALA A 90 0.861 -1.740 -10.434 1.00 0.00 N ATOM 1330 CA ALA A 90 0.216 -0.516 -9.956 1.00 0.00 C ATOM 1331 C ALA A 90 -1.311 -0.754 -9.881 1.00 0.00 C ATOM 1332 O ALA A 90 -1.914 -1.280 -10.819 1.00 0.00 O ATOM 1333 CB ALA A 90 0.581 0.655 -10.869 1.00 0.00 C ATOM 0 H ALA A 90 1.267 -1.666 -11.367 1.00 0.00 H new ATOM 0 HA ALA A 90 0.567 -0.260 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.098 1.563 -10.507 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.662 0.794 -10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.244 0.444 -11.884 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.914 -0.419 -8.739 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.302 -0.768 -8.410 1.00 0.00 C ATOM 1341 C TYR A 91 -4.337 -0.095 -9.338 1.00 0.00 C ATOM 1342 O TYR A 91 -4.116 1.013 -9.842 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.539 -0.363 -6.955 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.846 -0.826 -6.350 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.070 -2.198 -6.129 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.824 0.117 -5.973 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.277 -2.629 -5.542 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -7.023 -0.311 -5.376 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.262 -1.686 -5.176 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.445 -2.100 -4.651 1.00 0.00 O ATOM 0 H TYR A 91 -1.446 0.111 -8.003 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.439 -1.840 -8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.721 -0.754 -6.350 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.493 0.724 -6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.317 -2.920 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.652 1.170 -6.143 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.448 -3.682 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.762 0.415 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.417 -3.069 -4.505 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.477 -0.761 -9.541 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.538 -0.337 -10.471 1.00 0.00 C ATOM 1362 C ASP A 92 -7.966 -0.620 -9.935 1.00 0.00 C ATOM 1363 O ASP A 92 -8.950 -0.542 -10.679 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.278 -1.014 -11.830 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.111 -0.429 -12.983 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.092 0.807 -13.196 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.745 -1.215 -13.733 1.00 0.00 O ATOM 0 H ASP A 92 -5.697 -1.630 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.500 0.747 -10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.220 -0.922 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.493 -2.079 -11.742 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.093 -0.929 -8.640 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.373 -1.192 -7.963 1.00 0.00 C ATOM 1374 C GLY A 93 -9.936 0.030 -7.212 1.00 0.00 C ATOM 1375 O GLY A 93 -9.356 1.122 -7.271 1.00 0.00 O ATOM 0 H GLY A 93 -7.290 -1.006 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.104 -1.523 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.239 -2.012 -7.257 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.084 -0.124 -6.523 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.694 0.931 -5.705 1.00 0.00 C ATOM 1381 C PRO A 94 -10.755 1.491 -4.624 1.00 0.00 C ATOM 1382 O PRO A 94 -10.104 0.732 -3.900 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.933 0.290 -5.058 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.276 -0.873 -5.983 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.910 -1.324 -6.496 1.00 0.00 C ATOM 0 HA PRO A 94 -11.939 1.787 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.721 -0.055 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.758 0.999 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.791 -1.673 -5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.929 -0.561 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.478 -2.083 -5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.991 -1.766 -7.489 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.734 2.823 -4.456 1.00 0.00 N ATOM 1394 CA ARG A 95 -10.073 3.515 -3.329 1.00 0.00 C ATOM 1395 C ARG A 95 -10.911 3.394 -2.039 1.00 0.00 C ATOM 1396 O ARG A 95 -11.436 4.381 -1.523 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.746 4.979 -3.694 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.603 5.139 -4.712 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.382 6.636 -4.987 1.00 0.00 C ATOM 1400 NE ARG A 95 -7.184 6.909 -5.805 1.00 0.00 N ATOM 1401 CZ ARG A 95 -6.988 7.969 -6.569 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -7.892 8.890 -6.736 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -5.850 8.143 -7.176 1.00 0.00 N ATOM 0 H ARG A 95 -11.183 3.464 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.121 3.023 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.643 5.450 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.484 5.518 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.689 4.688 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.848 4.618 -5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.259 7.038 -5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.293 7.163 -4.037 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.438 6.214 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.795 8.810 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.698 9.692 -7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.102 7.459 -7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.706 8.964 -7.764 1.00 0.00 H new ATOM 1417 N THR A 96 -11.082 2.163 -1.553 1.00 0.00 N ATOM 1418 CA THR A 96 -11.806 1.795 -0.324 1.00 0.00 C ATOM 1419 C THR A 96 -11.157 0.577 0.334 1.00 0.00 C ATOM 1420 O THR A 96 -10.509 -0.226 -0.352 1.00 0.00 O ATOM 1421 CB THR A 96 -13.280 1.437 -0.603 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.387 0.328 -1.473 1.00 0.00 O ATOM 1423 CG2 THR A 96 -14.086 2.579 -1.220 1.00 0.00 C ATOM 0 H THR A 96 -10.699 1.347 -2.030 1.00 0.00 H new ATOM 0 HA THR A 96 -11.762 2.666 0.330 1.00 0.00 H new ATOM 0 HB THR A 96 -13.693 1.208 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.333 0.125 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 96 -15.112 2.251 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.083 3.433 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.638 2.868 -2.171 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.361 0.381 1.643 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.922 -0.825 2.360 1.00 0.00 C ATOM 1433 C ALA A 97 -11.417 -2.124 1.695 1.00 0.00 C ATOM 1434 O ALA A 97 -10.656 -3.077 1.531 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.434 -0.746 3.805 1.00 0.00 C ATOM 0 H ALA A 97 -11.838 1.058 2.238 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.833 -0.858 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.117 -1.634 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.026 0.142 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.523 -0.690 3.803 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.682 -2.134 1.268 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.324 -3.262 0.580 1.00 0.00 C ATOM 1443 C ASP A 98 -12.658 -3.588 -0.764 1.00 0.00 C ATOM 1444 O ASP A 98 -12.544 -4.764 -1.121 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.815 -2.961 0.369 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.587 -2.919 1.700 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.917 -4.001 2.247 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.882 -1.801 2.192 1.00 0.00 O ATOM 0 H ASP A 98 -13.307 -1.337 1.394 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.207 -4.140 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.923 -2.005 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.251 -3.721 -0.279 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.157 -2.577 -1.483 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.375 -2.754 -2.706 1.00 0.00 C ATOM 1455 C GLY A 99 -10.072 -3.528 -2.466 1.00 0.00 C ATOM 1456 O GLY A 99 -9.714 -4.386 -3.279 1.00 0.00 O ATOM 0 H GLY A 99 -12.287 -1.599 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.977 -3.283 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.140 -1.777 -3.128 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.379 -3.269 -1.353 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.133 -3.965 -0.998 1.00 0.00 C ATOM 1462 C ILE A 100 -8.403 -5.433 -0.630 1.00 0.00 C ATOM 1463 O ILE A 100 -7.762 -6.341 -1.164 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.398 -3.273 0.170 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.380 -1.726 0.130 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.969 -3.821 0.241 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.818 -1.104 -1.155 1.00 0.00 C ATOM 0 H ILE A 100 -9.665 -2.569 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.494 -3.926 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.969 -3.509 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.398 -1.365 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.793 -1.365 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.436 -3.342 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.000 -4.898 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.453 -3.614 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.851 -0.017 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.786 -1.426 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.417 -1.426 -2.007 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.381 -5.673 0.250 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.813 -7.023 0.665 1.00 0.00 C ATOM 1481 C VAL A 101 -10.306 -7.845 -0.532 1.00 0.00 C ATOM 1482 O VAL A 101 -9.932 -9.008 -0.686 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.882 -6.924 1.766 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.375 -8.303 2.220 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.337 -6.199 3.004 1.00 0.00 C ATOM 0 H VAL A 101 -9.907 -4.926 0.704 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.952 -7.549 1.076 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.709 -6.366 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.129 -8.182 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.811 -8.831 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.537 -8.878 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -11.115 -6.144 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.481 -6.746 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.027 -5.191 2.728 1.00 0.00 H new ATOM 1495 N SER A 102 -11.083 -7.232 -1.430 1.00 0.00 N ATOM 1496 CA SER A 102 -11.525 -7.829 -2.703 1.00 0.00 C ATOM 1497 C SER A 102 -10.346 -8.202 -3.620 1.00 0.00 C ATOM 1498 O SER A 102 -10.258 -9.334 -4.097 1.00 0.00 O ATOM 1499 CB SER A 102 -12.476 -6.862 -3.424 1.00 0.00 C ATOM 1500 OG SER A 102 -12.988 -7.443 -4.615 1.00 0.00 O ATOM 0 H SER A 102 -11.433 -6.284 -1.293 1.00 0.00 H new ATOM 0 HA SER A 102 -12.048 -8.756 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.300 -6.596 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.948 -5.939 -3.663 1.00 0.00 H new ATOM 0 HG SER A 102 -13.592 -6.809 -5.055 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.390 -7.292 -3.829 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.181 -7.551 -4.608 1.00 0.00 C ATOM 1508 C HIS A 103 -7.330 -8.691 -4.019 1.00 0.00 C ATOM 1509 O HIS A 103 -6.769 -9.496 -4.769 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.390 -6.236 -4.700 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.978 -6.376 -5.201 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.554 -6.346 -6.512 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.866 -6.556 -4.419 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.221 -6.498 -6.520 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.750 -6.648 -5.266 1.00 0.00 N ATOM 0 H HIS A 103 -9.437 -6.344 -3.456 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.461 -7.891 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.927 -5.552 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.365 -5.775 -3.713 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.149 -6.229 -7.332 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.851 -6.616 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.609 -6.500 -7.410 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.246 -8.788 -2.689 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.531 -9.854 -1.981 1.00 0.00 C ATOM 1525 C LEU A 104 -7.247 -11.210 -2.082 1.00 0.00 C ATOM 1526 O LEU A 104 -6.636 -12.203 -2.479 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.322 -9.377 -0.526 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.535 -10.297 0.430 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.392 -11.422 1.007 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.274 -10.880 -0.209 1.00 0.00 C ATOM 0 H LEU A 104 -7.683 -8.113 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.562 -10.036 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.811 -8.415 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.304 -9.201 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.228 -9.649 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.786 -12.037 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.225 -10.995 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.778 -12.038 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.763 -11.518 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.548 -11.468 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.611 -10.069 -0.510 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.546 -11.285 -1.760 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.293 -12.555 -1.725 1.00 0.00 C ATOM 1544 C LYS A 105 -9.381 -13.254 -3.092 1.00 0.00 C ATOM 1545 O LYS A 105 -9.449 -14.479 -3.155 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.666 -12.354 -1.047 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.745 -11.740 -1.952 1.00 0.00 C ATOM 1548 CD LYS A 105 -13.019 -11.341 -1.196 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.749 -12.561 -0.614 1.00 0.00 C ATOM 1550 NZ LYS A 105 -15.024 -12.171 0.050 1.00 0.00 N ATOM 0 H LYS A 105 -9.109 -10.470 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.723 -13.252 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.021 -13.318 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.535 -11.714 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.335 -10.860 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.004 -12.455 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.762 -10.654 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.688 -10.806 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.957 -13.276 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.102 -13.064 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.490 -13.019 0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.823 -11.508 0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.650 -11.713 -0.643 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.305 -12.483 -4.185 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.284 -12.952 -5.583 1.00 0.00 C ATOM 1566 C LYS A 106 -7.985 -13.663 -6.006 1.00 0.00 C ATOM 1567 O LYS A 106 -7.927 -14.202 -7.112 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.584 -11.757 -6.510 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.077 -11.376 -6.475 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.335 -10.080 -7.254 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.798 -9.629 -7.165 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.718 -10.524 -7.916 1.00 0.00 N ATOM 0 H LYS A 106 -9.254 -11.466 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.054 -13.718 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.982 -10.900 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.295 -12.006 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.672 -12.184 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.400 -11.253 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.690 -9.291 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.066 -10.228 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.102 -9.597 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.886 -8.614 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.693 -10.175 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.448 -10.536 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.657 -11.488 -7.530 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.961 -13.702 -5.145 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.686 -14.384 -5.392 1.00 0.00 C ATOM 1588 C GLN A 107 -5.225 -15.264 -4.217 1.00 0.00 C ATOM 1589 O GLN A 107 -4.686 -16.354 -4.440 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.634 -13.332 -5.774 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.428 -12.176 -4.784 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.492 -11.092 -5.330 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.344 -11.334 -5.694 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.951 -9.861 -5.394 1.00 0.00 N ATOM 0 H GLN A 107 -6.998 -13.248 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.825 -15.082 -6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.679 -13.839 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.910 -12.909 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.394 -11.730 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.019 -12.568 -3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.904 -9.656 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.354 -9.112 -5.745 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.469 -14.829 -2.977 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.119 -15.592 -1.772 1.00 0.00 C ATOM 1605 C ALA A 108 -6.031 -16.807 -1.492 1.00 0.00 C ATOM 1606 O ALA A 108 -5.598 -17.773 -0.857 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.133 -14.635 -0.580 1.00 0.00 C ATOM 0 H ALA A 108 -5.917 -13.934 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.129 -16.016 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.875 -15.181 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.406 -13.839 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.127 -14.202 -0.473 1.00 0.00 H new ATOM 1613 N GLY A 109 -7.289 -16.780 -1.957 1.00 0.00 N ATOM 1614 CA GLY A 109 -8.266 -17.847 -1.719 1.00 0.00 C ATOM 1615 C GLY A 109 -9.598 -17.673 -2.471 1.00 0.00 C ATOM 1616 O GLY A 109 -10.617 -17.440 -1.808 1.00 0.00 O ATOM 0 H GLY A 109 -7.658 -16.009 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.822 -18.800 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.471 -17.902 -0.650 1.00 0.00 H new ATOM 1620 N PRO A 110 -9.621 -17.759 -3.820 1.00 0.00 N ATOM 1621 CA PRO A 110 -10.837 -17.617 -4.630 1.00 0.00 C ATOM 1622 C PRO A 110 -11.995 -18.561 -4.247 1.00 0.00 C ATOM 1623 O PRO A 110 -13.166 -18.213 -4.441 1.00 0.00 O ATOM 1624 CB PRO A 110 -10.409 -17.895 -6.077 1.00 0.00 C ATOM 1625 CG PRO A 110 -8.911 -17.614 -6.088 1.00 0.00 C ATOM 1626 CD PRO A 110 -8.466 -17.997 -4.681 1.00 0.00 C ATOM 0 HA PRO A 110 -11.238 -16.616 -4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.623 -18.925 -6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -10.939 -17.252 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.397 -18.205 -6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.701 -16.567 -6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.156 -19.041 -4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.612 -17.398 -4.364 1.00 0.00 H new ATOM 1634 N ALA A 111 -11.674 -19.743 -3.707 1.00 0.00 N ATOM 1635 CA ALA A 111 -12.611 -20.780 -3.268 1.00 0.00 C ATOM 1636 C ALA A 111 -12.030 -21.598 -2.088 1.00 0.00 C ATOM 1637 O ALA A 111 -10.850 -21.472 -1.743 1.00 0.00 O ATOM 1638 CB ALA A 111 -12.928 -21.674 -4.477 1.00 0.00 C ATOM 0 H ALA A 111 -10.702 -20.014 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 111 -13.529 -20.323 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.625 -22.457 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.376 -21.072 -5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.008 -22.129 -4.844 1.00 0.00 H new ATOM 1644 N SER A 112 -12.869 -22.431 -1.462 1.00 0.00 N ATOM 1645 CA SER A 112 -12.484 -23.284 -0.314 1.00 0.00 C ATOM 1646 C SER A 112 -11.699 -24.555 -0.704 1.00 0.00 C ATOM 1647 O SER A 112 -11.057 -25.158 0.163 1.00 0.00 O ATOM 1648 CB SER A 112 -13.731 -23.697 0.478 1.00 0.00 C ATOM 1649 OG SER A 112 -14.377 -22.572 1.057 1.00 0.00 O ATOM 0 H SER A 112 -13.846 -22.539 -1.735 1.00 0.00 H new ATOM 0 HA SER A 112 -11.815 -22.672 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.426 -24.217 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.449 -24.399 1.262 1.00 0.00 H new ATOM 0 HG SER A 112 -15.168 -22.869 1.553 1.00 0.00 H new ATOM 1655 N VAL A 113 -11.758 -24.976 -1.978 1.00 0.00 N ATOM 1656 CA VAL A 113 -11.037 -26.148 -2.539 1.00 0.00 C ATOM 1657 C VAL A 113 -9.509 -26.003 -2.515 1.00 0.00 C ATOM 1658 O VAL A 113 -8.985 -24.883 -2.732 1.00 0.00 O ATOM 1659 CB VAL A 113 -11.527 -26.520 -3.957 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -12.972 -27.039 -3.899 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -11.479 -25.357 -4.953 1.00 0.00 C ATOM 1662 OXT VAL A 113 -8.834 -27.031 -2.274 1.00 0.00 O ATOM 0 H VAL A 113 -12.327 -24.498 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.284 -26.971 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.840 -27.288 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.306 -27.298 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.016 -27.923 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.621 -26.265 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.838 -25.695 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.112 -24.545 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.453 -25.002 -5.049 1.00 0.00 H new TER 1672 VAL A 113