USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 564 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 Single : A 1 GLY N :NH3+ -118:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 45:sc= 0.163 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 14 CYS SG : rot -71:sc= -3.19 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0358 F(o=-0.78,f=-0.036) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.05) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.0273 (180deg=-0.585) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= -0.102 (180deg=-0.805!) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.86 USER MOD Single : A 49 HIS :FLIP no HE2:sc= -0.918 F(o=-1.5,f=-0.92) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.36! C(o=-2.4!,f=-7.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -1.28 F(o=-2.8!,f=-1.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0155) USER MOD Single : A 80 THR OG1 : rot 48:sc= 0.086 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.233 -13.354 10.726 1.00 0.00 N ATOM 2 CA GLY A 1 19.567 -13.079 9.464 1.00 0.00 C ATOM 3 C GLY A 1 20.283 -13.773 8.303 1.00 0.00 C ATOM 4 O GLY A 1 21.294 -14.444 8.506 1.00 0.00 O ATOM 0 H1 GLY A 1 19.582 -13.862 11.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.075 -13.939 10.554 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.519 -12.458 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.532 -13.419 9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.541 -12.003 9.289 1.00 0.00 H new ATOM 8 N SER A 2 19.731 -13.589 7.114 1.00 0.00 N ATOM 9 CA SER A 2 20.304 -14.189 5.921 1.00 0.00 C ATOM 10 C SER A 2 19.648 -13.598 4.671 1.00 0.00 C ATOM 11 O SER A 2 18.738 -14.199 4.101 1.00 0.00 O ATOM 12 CB SER A 2 20.140 -15.710 5.938 1.00 0.00 C ATOM 13 OG SER A 2 21.139 -16.363 5.158 1.00 0.00 O ATOM 0 H SER A 2 18.892 -13.032 6.950 1.00 0.00 H new ATOM 0 HA SER A 2 21.371 -13.965 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.191 -16.069 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.153 -15.973 5.557 1.00 0.00 H new ATOM 0 HG SER A 2 21.001 -17.333 5.195 1.00 0.00 H new ATOM 18 N SER A 3 20.135 -12.430 4.282 1.00 0.00 N ATOM 19 CA SER A 3 19.608 -11.752 3.110 1.00 0.00 C ATOM 20 C SER A 3 18.143 -11.374 3.339 1.00 0.00 C ATOM 21 O SER A 3 17.343 -12.205 3.765 1.00 0.00 O ATOM 22 CB SER A 3 19.743 -12.625 1.861 1.00 0.00 C ATOM 23 OG SER A 3 21.105 -12.853 1.512 1.00 0.00 O ATOM 0 H SER A 3 20.889 -11.935 4.758 1.00 0.00 H new ATOM 0 HA SER A 3 20.190 -10.844 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.248 -13.581 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.231 -12.146 1.027 1.00 0.00 H new ATOM 0 HG SER A 3 21.148 -13.416 0.711 1.00 0.00 H new ATOM 28 N GLY A 4 17.836 -10.118 3.047 1.00 0.00 N ATOM 29 CA GLY A 4 16.482 -9.619 3.216 1.00 0.00 C ATOM 30 C GLY A 4 15.993 -8.921 1.946 1.00 0.00 C ATOM 31 O GLY A 4 16.664 -8.957 0.916 1.00 0.00 O ATOM 0 H GLY A 4 18.502 -9.431 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.814 -10.445 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.449 -8.922 4.054 1.00 0.00 H new ATOM 35 N SER A 5 14.827 -8.302 2.061 1.00 0.00 N ATOM 36 CA SER A 5 14.240 -7.596 0.935 1.00 0.00 C ATOM 37 C SER A 5 13.156 -6.635 1.427 1.00 0.00 C ATOM 38 O SER A 5 12.437 -6.940 2.377 1.00 0.00 O ATOM 39 CB SER A 5 13.659 -8.575 -0.086 1.00 0.00 C ATOM 40 OG SER A 5 14.527 -8.764 -1.200 1.00 0.00 O ATOM 0 H SER A 5 14.273 -8.275 2.917 1.00 0.00 H new ATOM 0 HA SER A 5 15.026 -7.024 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.475 -9.535 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.696 -8.204 -0.436 1.00 0.00 H new ATOM 0 HG SER A 5 15.447 -8.879 -0.882 1.00 0.00 H new ATOM 45 N SER A 6 13.072 -5.495 0.758 1.00 0.00 N ATOM 46 CA SER A 6 12.087 -4.488 1.115 1.00 0.00 C ATOM 47 C SER A 6 10.680 -4.999 0.804 1.00 0.00 C ATOM 48 O SER A 6 9.905 -5.288 1.715 1.00 0.00 O ATOM 49 CB SER A 6 12.350 -3.174 0.376 1.00 0.00 C ATOM 50 OG SER A 6 12.429 -3.361 -1.034 1.00 0.00 O ATOM 0 H SER A 6 13.670 -5.246 -0.030 1.00 0.00 H new ATOM 0 HA SER A 6 12.168 -4.295 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.554 -2.465 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.281 -2.736 0.736 1.00 0.00 H new ATOM 0 HG SER A 6 12.596 -2.499 -1.469 1.00 0.00 H new ATOM 55 N GLY A 7 10.391 -5.096 -0.486 1.00 0.00 N ATOM 56 CA GLY A 7 9.090 -5.567 -0.928 1.00 0.00 C ATOM 57 C GLY A 7 9.136 -7.057 -1.278 1.00 0.00 C ATOM 58 O GLY A 7 8.637 -7.468 -2.324 1.00 0.00 O ATOM 0 H GLY A 7 11.036 -4.856 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.352 -5.396 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.769 -4.995 -1.798 1.00 0.00 H new ATOM 62 N GLY A 8 9.741 -7.823 -0.382 1.00 0.00 N ATOM 63 CA GLY A 8 9.859 -9.257 -0.583 1.00 0.00 C ATOM 64 C GLY A 8 8.594 -9.826 -1.230 1.00 0.00 C ATOM 65 O GLY A 8 8.574 -10.100 -2.429 1.00 0.00 O ATOM 0 H GLY A 8 10.154 -7.478 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.722 -9.470 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.035 -9.749 0.374 1.00 0.00 H new ATOM 69 N GLU A 9 7.569 -9.988 -0.406 1.00 0.00 N ATOM 70 CA GLU A 9 6.303 -10.520 -0.883 1.00 0.00 C ATOM 71 C GLU A 9 5.137 -9.714 -0.305 1.00 0.00 C ATOM 72 O GLU A 9 5.077 -9.482 0.901 1.00 0.00 O ATOM 73 CB GLU A 9 6.167 -12.005 -0.539 1.00 0.00 C ATOM 74 CG GLU A 9 5.697 -12.193 0.905 1.00 0.00 C ATOM 75 CD GLU A 9 6.217 -13.509 1.484 1.00 0.00 C ATOM 76 OE1 GLU A 9 5.937 -14.555 0.858 1.00 0.00 O ATOM 77 OE2 GLU A 9 6.882 -13.441 2.539 1.00 0.00 O ATOM 0 H GLU A 9 7.589 -9.761 0.588 1.00 0.00 H new ATOM 0 HA GLU A 9 6.279 -10.429 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.458 -12.476 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.126 -12.504 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.045 -11.360 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.608 -12.181 0.941 1.00 0.00 H new ATOM 82 N ILE A 10 4.241 -9.311 -1.193 1.00 0.00 N ATOM 83 CA ILE A 10 3.081 -8.537 -0.786 1.00 0.00 C ATOM 84 C ILE A 10 2.135 -9.429 0.021 1.00 0.00 C ATOM 85 O ILE A 10 1.514 -10.338 -0.527 1.00 0.00 O ATOM 86 CB ILE A 10 2.421 -7.882 -2.001 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.236 -6.683 -2.489 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.969 -7.503 -1.699 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.091 -5.497 -1.534 1.00 0.00 C ATOM 0 H ILE A 10 4.295 -9.506 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 10 3.380 -7.717 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 10 2.402 -8.610 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.286 -6.962 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.904 -6.394 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.523 -7.039 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.406 -8.399 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.942 -6.801 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.680 -4.658 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.043 -5.205 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.447 -5.782 -0.544 1.00 0.00 H new ATOM 100 N ILE A 11 2.056 -9.138 1.311 1.00 0.00 N ATOM 101 CA ILE A 11 1.197 -9.902 2.199 1.00 0.00 C ATOM 102 C ILE A 11 0.032 -9.022 2.658 1.00 0.00 C ATOM 103 O ILE A 11 0.047 -7.809 2.450 1.00 0.00 O ATOM 104 CB ILE A 11 2.010 -10.496 3.352 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.401 -9.415 4.361 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.228 -11.258 2.827 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.255 -9.134 5.336 1.00 0.00 C ATOM 0 H ILE A 11 2.573 -8.383 1.762 1.00 0.00 H new ATOM 0 HA ILE A 11 0.766 -10.753 1.672 1.00 0.00 H new ATOM 0 HB ILE A 11 1.382 -11.215 3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.285 -9.732 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.667 -8.499 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.789 -11.670 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.898 -12.069 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.867 -10.579 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.559 -8.362 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.380 -8.794 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.008 -10.046 5.880 1.00 0.00 H new ATOM 118 N GLU A 12 -0.949 -9.666 3.272 1.00 0.00 N ATOM 119 CA GLU A 12 -2.118 -8.957 3.762 1.00 0.00 C ATOM 120 C GLU A 12 -1.761 -8.135 5.002 1.00 0.00 C ATOM 121 O GLU A 12 -1.252 -8.674 5.983 1.00 0.00 O ATOM 122 CB GLU A 12 -3.263 -9.927 4.060 1.00 0.00 C ATOM 123 CG GLU A 12 -3.691 -10.676 2.795 1.00 0.00 C ATOM 124 CD GLU A 12 -4.577 -11.875 3.140 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.194 -12.612 4.074 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.616 -12.026 2.462 1.00 0.00 O ATOM 0 H GLU A 12 -0.958 -10.672 3.441 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.456 -8.274 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.950 -10.641 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.112 -9.378 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.231 -9.999 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.808 -11.016 2.253 1.00 0.00 H new ATOM 131 N GLY A 13 -2.041 -6.843 4.916 1.00 0.00 N ATOM 132 CA GLY A 13 -1.754 -5.941 6.019 1.00 0.00 C ATOM 133 C GLY A 13 -0.769 -4.851 5.594 1.00 0.00 C ATOM 134 O GLY A 13 -0.761 -3.760 6.162 1.00 0.00 O ATOM 0 H GLY A 13 -2.463 -6.399 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.679 -5.483 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.340 -6.504 6.856 1.00 0.00 H new ATOM 138 N CYS A 14 0.040 -5.185 4.599 1.00 0.00 N ATOM 139 CA CYS A 14 1.029 -4.248 4.092 1.00 0.00 C ATOM 140 C CYS A 14 0.312 -2.949 3.719 1.00 0.00 C ATOM 141 O CYS A 14 -0.777 -2.979 3.148 1.00 0.00 O ATOM 142 CB CYS A 14 1.806 -4.831 2.910 1.00 0.00 C ATOM 143 SG CYS A 14 3.123 -5.948 3.517 1.00 0.00 S ATOM 0 H CYS A 14 0.031 -6.091 4.130 1.00 0.00 H new ATOM 0 HA CYS A 14 1.771 -4.044 4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.129 -5.377 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.244 -4.026 2.319 1.00 0.00 H new ATOM 0 HG CYS A 14 4.066 -5.246 4.072 1.00 0.00 H new ATOM 148 N ARG A 15 0.952 -1.839 4.057 1.00 0.00 N ATOM 149 CA ARG A 15 0.389 -0.532 3.765 1.00 0.00 C ATOM 150 C ARG A 15 1.259 0.204 2.744 1.00 0.00 C ATOM 151 O ARG A 15 2.450 0.411 2.972 1.00 0.00 O ATOM 152 CB ARG A 15 0.277 0.316 5.033 1.00 0.00 C ATOM 153 CG ARG A 15 -1.041 0.041 5.761 1.00 0.00 C ATOM 154 CD ARG A 15 -1.271 1.058 6.880 1.00 0.00 C ATOM 155 NE ARG A 15 -1.068 0.416 8.198 1.00 0.00 N ATOM 156 CZ ARG A 15 0.125 0.289 8.796 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.227 0.762 8.198 1.00 0.00 N ATOM 158 NH2 ARG A 15 0.214 -0.308 9.992 1.00 0.00 N ATOM 0 H ARG A 15 1.855 -1.818 4.530 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.609 -0.686 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.115 0.099 5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.341 1.373 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.868 0.082 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.028 -0.966 6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.585 1.898 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.282 1.461 6.814 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.887 0.047 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.158 1.218 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.135 0.666 8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.626 -0.666 10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.122 -0.405 10.447 1.00 0.00 H new ATOM 169 N LEU A 16 0.631 0.578 1.639 1.00 0.00 N ATOM 170 CA LEU A 16 1.332 1.287 0.582 1.00 0.00 C ATOM 171 C LEU A 16 0.356 2.224 -0.133 1.00 0.00 C ATOM 172 O LEU A 16 -0.848 1.977 -0.149 1.00 0.00 O ATOM 173 CB LEU A 16 2.032 0.298 -0.353 1.00 0.00 C ATOM 174 CG LEU A 16 1.459 -1.120 -0.379 1.00 0.00 C ATOM 175 CD1 LEU A 16 -0.070 -1.096 -0.317 1.00 0.00 C ATOM 176 CD2 LEU A 16 1.971 -1.896 -1.594 1.00 0.00 C ATOM 0 H LEU A 16 -0.356 0.403 1.453 1.00 0.00 H new ATOM 0 HA LEU A 16 2.123 1.910 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.999 0.700 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.082 0.239 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 16 1.809 -1.645 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.451 -2.117 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.389 -0.608 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.460 -0.546 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.549 -2.901 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.671 -1.381 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.058 -1.959 -1.553 1.00 0.00 H new ATOM 187 N PRO A 17 0.928 3.308 -0.721 1.00 0.00 N ATOM 188 CA PRO A 17 0.122 4.284 -1.436 1.00 0.00 C ATOM 189 C PRO A 17 -0.322 3.738 -2.794 1.00 0.00 C ATOM 190 O PRO A 17 0.487 3.615 -3.713 1.00 0.00 O ATOM 191 CB PRO A 17 1.006 5.515 -1.551 1.00 0.00 C ATOM 192 CG PRO A 17 2.427 5.033 -1.312 1.00 0.00 C ATOM 193 CD PRO A 17 2.351 3.634 -0.722 1.00 0.00 C ATOM 0 HA PRO A 17 -0.807 4.524 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.910 5.974 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.721 6.270 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.989 5.024 -2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.949 5.706 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.920 2.921 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.764 3.607 0.286 1.00 0.00 H new ATOM 198 N VAL A 18 -1.606 3.425 -2.879 1.00 0.00 N ATOM 199 CA VAL A 18 -2.168 2.895 -4.110 1.00 0.00 C ATOM 200 C VAL A 18 -2.652 4.054 -4.985 1.00 0.00 C ATOM 201 O VAL A 18 -3.631 4.720 -4.655 1.00 0.00 O ATOM 202 CB VAL A 18 -3.275 1.888 -3.789 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.056 1.512 -5.049 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.702 0.644 -3.107 1.00 0.00 C ATOM 0 H VAL A 18 -2.274 3.528 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.408 2.355 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.969 2.362 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.836 0.795 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.510 2.406 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.379 1.066 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.509 -0.056 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.977 0.168 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.211 0.932 -2.177 1.00 0.00 H new ATOM 214 N LEU A 19 -1.941 4.258 -6.085 1.00 0.00 N ATOM 215 CA LEU A 19 -2.285 5.324 -7.010 1.00 0.00 C ATOM 216 C LEU A 19 -3.803 5.366 -7.192 1.00 0.00 C ATOM 217 O LEU A 19 -4.429 4.338 -7.449 1.00 0.00 O ATOM 218 CB LEU A 19 -1.511 5.167 -8.320 1.00 0.00 C ATOM 219 CG LEU A 19 -1.949 6.074 -9.472 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.247 7.431 -9.397 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.733 5.390 -10.823 1.00 0.00 C ATOM 0 H LEU A 19 -1.129 3.703 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.987 6.291 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.456 5.352 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.596 4.131 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.019 6.258 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.575 8.057 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.496 7.918 -8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.168 7.286 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.053 6.057 -11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.676 5.155 -10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.316 4.470 -10.862 1.00 0.00 H new ATOM 232 N ARG A 20 -4.352 6.564 -7.054 1.00 0.00 N ATOM 233 CA ARG A 20 -5.785 6.751 -7.201 1.00 0.00 C ATOM 234 C ARG A 20 -6.075 8.057 -7.943 1.00 0.00 C ATOM 235 O ARG A 20 -5.796 9.142 -7.432 1.00 0.00 O ATOM 236 CB ARG A 20 -6.479 6.783 -5.838 1.00 0.00 C ATOM 237 CG ARG A 20 -7.971 7.086 -5.988 1.00 0.00 C ATOM 238 CD ARG A 20 -8.627 7.304 -4.623 1.00 0.00 C ATOM 239 NE ARG A 20 -10.098 7.201 -4.747 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.956 7.463 -3.751 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.494 7.844 -2.552 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.275 7.342 -3.954 1.00 0.00 N ATOM 0 H ARG A 20 -3.830 7.414 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.173 5.909 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.348 5.824 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.013 7.539 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.105 7.974 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.463 6.262 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.261 6.564 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.354 8.284 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.483 6.913 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.490 7.935 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.147 8.043 -1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.626 7.051 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.928 7.541 -3.196 1.00 0.00 H new ATOM 253 N ARG A 21 -6.632 7.912 -9.137 1.00 0.00 N ATOM 254 CA ARG A 21 -6.964 9.066 -9.954 1.00 0.00 C ATOM 255 C ARG A 21 -8.402 9.514 -9.683 1.00 0.00 C ATOM 256 O ARG A 21 -9.346 8.940 -10.224 1.00 0.00 O ATOM 257 CB ARG A 21 -6.807 8.750 -11.442 1.00 0.00 C ATOM 258 CG ARG A 21 -5.357 8.939 -11.894 1.00 0.00 C ATOM 259 CD ARG A 21 -5.268 9.057 -13.417 1.00 0.00 C ATOM 260 NE ARG A 21 -3.896 8.734 -13.870 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.531 8.649 -15.156 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.432 8.862 -16.125 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.264 8.351 -15.474 1.00 0.00 N ATOM 0 H ARG A 21 -6.862 7.012 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.275 9.868 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.121 7.724 -11.634 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.461 9.398 -12.026 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.942 9.835 -11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.754 8.097 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.983 8.380 -13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.534 10.067 -13.728 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.185 8.566 -13.159 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.397 9.089 -15.884 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.153 8.797 -17.104 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.578 8.189 -14.737 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.986 8.286 -16.453 1.00 0.00 H new ATOM 274 N ASN A 22 -8.523 10.534 -8.846 1.00 0.00 N ATOM 275 CA ASN A 22 -9.829 11.064 -8.497 1.00 0.00 C ATOM 276 C ASN A 22 -10.544 11.525 -9.769 1.00 0.00 C ATOM 277 O ASN A 22 -9.967 11.495 -10.855 1.00 0.00 O ATOM 278 CB ASN A 22 -9.703 12.269 -7.563 1.00 0.00 C ATOM 279 CG ASN A 22 -8.821 11.937 -6.357 1.00 0.00 C ATOM 280 OD1 ASN A 22 -7.554 12.318 -6.492 1.00 0.00 O flip ATOM 281 ND2 ASN A 22 -9.262 11.374 -5.369 1.00 0.00 N flip ATOM 0 H ASN A 22 -7.737 11.007 -8.400 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.389 10.275 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.279 13.113 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.692 12.574 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.246 11.108 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.647 11.169 -4.582 1.00 0.00 H new ATOM 287 N GLN A 23 -11.790 11.940 -9.592 1.00 0.00 N ATOM 288 CA GLN A 23 -12.589 12.407 -10.712 1.00 0.00 C ATOM 289 C GLN A 23 -11.814 13.449 -11.520 1.00 0.00 C ATOM 290 O GLN A 23 -11.757 13.372 -12.747 1.00 0.00 O ATOM 291 CB GLN A 23 -13.928 12.970 -10.232 1.00 0.00 C ATOM 292 CG GLN A 23 -14.890 11.845 -9.844 1.00 0.00 C ATOM 293 CD GLN A 23 -15.985 12.359 -8.908 1.00 0.00 C ATOM 294 OE1 GLN A 23 -15.791 12.524 -7.715 1.00 0.00 O ATOM 295 NE2 GLN A 23 -17.145 12.600 -9.514 1.00 0.00 N ATOM 0 H GLN A 23 -12.266 11.962 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.801 11.557 -11.361 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.765 13.625 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.373 13.579 -11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.342 11.423 -10.741 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.338 11.041 -9.357 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.239 12.440 -10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.940 12.945 -8.975 1.00 0.00 H new ATOM 302 N ASP A 24 -11.234 14.399 -10.800 1.00 0.00 N ATOM 303 CA ASP A 24 -10.465 15.455 -11.435 1.00 0.00 C ATOM 304 C ASP A 24 -9.354 14.831 -12.282 1.00 0.00 C ATOM 305 O ASP A 24 -8.814 15.479 -13.179 1.00 0.00 O ATOM 306 CB ASP A 24 -9.811 16.364 -10.392 1.00 0.00 C ATOM 307 CG ASP A 24 -10.697 17.500 -9.878 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.185 18.270 -10.733 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.866 17.573 -8.642 1.00 0.00 O ATOM 0 H ASP A 24 -11.282 14.459 -9.783 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.145 16.044 -12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.500 15.754 -9.544 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.907 16.795 -10.823 1.00 0.00 H new ATOM 313 N ASN A 25 -9.044 13.582 -11.968 1.00 0.00 N ATOM 314 CA ASN A 25 -8.007 12.864 -12.689 1.00 0.00 C ATOM 315 C ASN A 25 -6.637 13.276 -12.147 1.00 0.00 C ATOM 316 O ASN A 25 -5.697 13.474 -12.915 1.00 0.00 O ATOM 317 CB ASN A 25 -8.044 13.194 -14.182 1.00 0.00 C ATOM 318 CG ASN A 25 -7.402 12.078 -15.007 1.00 0.00 C ATOM 319 OD1 ASN A 25 -6.233 12.121 -15.355 1.00 0.00 O ATOM 320 ND2 ASN A 25 -8.228 11.078 -15.302 1.00 0.00 N ATOM 0 H ASN A 25 -9.493 13.049 -11.224 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.179 11.796 -12.552 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.076 13.338 -14.500 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.520 14.132 -14.364 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.894 10.285 -15.850 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.195 11.104 -14.980 1.00 0.00 H new ATOM 326 N GLU A 26 -6.568 13.393 -10.830 1.00 0.00 N ATOM 327 CA GLU A 26 -5.328 13.777 -10.177 1.00 0.00 C ATOM 328 C GLU A 26 -4.653 12.553 -9.555 1.00 0.00 C ATOM 329 O GLU A 26 -5.033 12.114 -8.471 1.00 0.00 O ATOM 330 CB GLU A 26 -5.576 14.860 -9.125 1.00 0.00 C ATOM 331 CG GLU A 26 -6.133 16.132 -9.767 1.00 0.00 C ATOM 332 CD GLU A 26 -6.020 17.323 -8.813 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.873 17.637 -8.429 1.00 0.00 O ATOM 334 OE2 GLU A 26 -7.084 17.892 -8.488 1.00 0.00 O ATOM 0 H GLU A 26 -7.351 13.229 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.658 14.193 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.276 14.490 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.645 15.088 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.590 16.346 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.177 15.978 -10.040 1.00 0.00 H new ATOM 339 N ASP A 27 -3.663 12.037 -10.268 1.00 0.00 N ATOM 340 CA ASP A 27 -2.932 10.872 -9.800 1.00 0.00 C ATOM 341 C ASP A 27 -2.543 11.074 -8.334 1.00 0.00 C ATOM 342 O ASP A 27 -1.527 11.700 -8.038 1.00 0.00 O ATOM 343 CB ASP A 27 -1.647 10.668 -10.606 1.00 0.00 C ATOM 344 CG ASP A 27 -1.851 10.132 -12.024 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.156 10.962 -12.907 1.00 0.00 O ATOM 346 OD2 ASP A 27 -1.697 8.903 -12.193 1.00 0.00 O ATOM 0 H ASP A 27 -3.350 12.404 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.575 10.000 -9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.119 11.620 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.001 9.979 -10.063 1.00 0.00 H new ATOM 350 N GLU A 28 -3.374 10.533 -7.456 1.00 0.00 N ATOM 351 CA GLU A 28 -3.131 10.646 -6.027 1.00 0.00 C ATOM 352 C GLU A 28 -2.403 9.403 -5.513 1.00 0.00 C ATOM 353 O GLU A 28 -2.296 8.403 -6.222 1.00 0.00 O ATOM 354 CB GLU A 28 -4.437 10.871 -5.265 1.00 0.00 C ATOM 355 CG GLU A 28 -4.164 11.224 -3.800 1.00 0.00 C ATOM 356 CD GLU A 28 -5.329 12.015 -3.201 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.477 11.554 -3.374 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.044 13.063 -2.583 1.00 0.00 O ATOM 0 H GLU A 28 -4.216 10.015 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.494 11.514 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.004 11.674 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.052 9.973 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.006 10.311 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.247 11.809 -3.728 1.00 0.00 H new ATOM 363 N TRP A 29 -1.920 9.504 -4.283 1.00 0.00 N ATOM 364 CA TRP A 29 -1.206 8.401 -3.666 1.00 0.00 C ATOM 365 C TRP A 29 -1.714 8.252 -2.230 1.00 0.00 C ATOM 366 O TRP A 29 -0.965 8.459 -1.277 1.00 0.00 O ATOM 367 CB TRP A 29 0.308 8.615 -3.744 1.00 0.00 C ATOM 368 CG TRP A 29 0.874 8.546 -5.164 1.00 0.00 C ATOM 369 CD1 TRP A 29 1.137 9.562 -5.997 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.237 7.352 -5.888 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.641 9.113 -7.200 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.704 7.726 -7.131 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.172 6.001 -5.505 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.143 6.808 -8.093 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.615 5.096 -6.477 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.088 5.456 -7.733 1.00 0.00 C ATOM 0 H TRP A 29 -2.010 10.334 -3.697 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.397 7.471 -4.202 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.550 9.587 -3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.803 7.863 -3.130 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.975 10.602 -5.757 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.917 9.692 -7.993 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.809 5.686 -4.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.504 7.126 -9.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.587 4.044 -6.234 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.412 4.696 -8.429 1.00 0.00 H new ATOM 386 N PRO A 30 -3.019 7.882 -2.119 1.00 0.00 N ATOM 387 CA PRO A 30 -3.637 7.703 -0.816 1.00 0.00 C ATOM 388 C PRO A 30 -3.175 6.397 -0.165 1.00 0.00 C ATOM 389 O PRO A 30 -2.978 5.394 -0.851 1.00 0.00 O ATOM 390 CB PRO A 30 -5.133 7.738 -1.082 1.00 0.00 C ATOM 391 CG PRO A 30 -5.298 7.470 -2.569 1.00 0.00 C ATOM 392 CD PRO A 30 -3.936 7.628 -3.226 1.00 0.00 C ATOM 0 HA PRO A 30 -3.354 8.480 -0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.653 6.985 -0.489 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.556 8.705 -0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.687 6.466 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.015 8.166 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.655 6.730 -3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.934 8.452 -3.940 1.00 0.00 H new ATOM 397 N LEU A 31 -3.018 6.451 1.148 1.00 0.00 N ATOM 398 CA LEU A 31 -2.583 5.285 1.898 1.00 0.00 C ATOM 399 C LEU A 31 -3.547 4.126 1.633 1.00 0.00 C ATOM 400 O LEU A 31 -4.762 4.311 1.636 1.00 0.00 O ATOM 401 CB LEU A 31 -2.429 5.629 3.381 1.00 0.00 C ATOM 402 CG LEU A 31 -1.352 4.852 4.142 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.807 3.418 4.423 1.00 0.00 C ATOM 404 CD2 LEU A 31 -0.017 4.893 3.396 1.00 0.00 C ATOM 0 H LEU A 31 -3.184 7.284 1.713 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.596 4.963 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.209 6.693 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.387 5.461 3.874 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.198 5.336 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.024 2.887 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.716 3.436 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.006 2.908 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.731 4.334 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.138 4.447 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.308 5.928 3.289 1.00 0.00 H new ATOM 415 N ALA A 32 -2.966 2.956 1.411 1.00 0.00 N ATOM 416 CA ALA A 32 -3.757 1.767 1.144 1.00 0.00 C ATOM 417 C ALA A 32 -3.160 0.580 1.904 1.00 0.00 C ATOM 418 O ALA A 32 -1.951 0.528 2.128 1.00 0.00 O ATOM 419 CB ALA A 32 -3.818 1.521 -0.365 1.00 0.00 C ATOM 0 H ALA A 32 -1.957 2.806 1.411 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.780 1.902 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.412 0.629 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.277 2.379 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.809 1.379 -0.752 1.00 0.00 H new ATOM 425 N GLU A 33 -4.033 -0.342 2.278 1.00 0.00 N ATOM 426 CA GLU A 33 -3.606 -1.524 3.008 1.00 0.00 C ATOM 427 C GLU A 33 -4.047 -2.790 2.272 1.00 0.00 C ATOM 428 O GLU A 33 -5.190 -2.888 1.827 1.00 0.00 O ATOM 429 CB GLU A 33 -4.143 -1.508 4.440 1.00 0.00 C ATOM 430 CG GLU A 33 -3.463 -2.580 5.294 1.00 0.00 C ATOM 431 CD GLU A 33 -4.381 -3.042 6.427 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.465 -2.298 7.428 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.979 -4.128 6.268 1.00 0.00 O ATOM 0 H GLU A 33 -5.034 -0.295 2.090 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.517 -1.519 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.977 -0.526 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.220 -1.675 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.194 -3.431 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.536 -2.185 5.710 1.00 0.00 H new ATOM 438 N ILE A 34 -3.118 -3.729 2.164 1.00 0.00 N ATOM 439 CA ILE A 34 -3.397 -4.985 1.489 1.00 0.00 C ATOM 440 C ILE A 34 -4.429 -5.775 2.297 1.00 0.00 C ATOM 441 O ILE A 34 -4.353 -5.829 3.523 1.00 0.00 O ATOM 442 CB ILE A 34 -2.099 -5.753 1.231 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.073 -4.871 0.515 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.373 -7.049 0.465 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.369 -4.789 -0.983 1.00 0.00 C ATOM 0 H ILE A 34 -2.171 -3.645 2.533 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.833 -4.802 0.507 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.669 -6.031 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.085 -3.870 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.072 -5.273 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.434 -7.576 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.043 -7.681 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.837 -6.814 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.625 -4.156 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.332 -5.788 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.361 -4.364 -1.135 1.00 0.00 H new ATOM 456 N LEU A 35 -5.369 -6.366 1.575 1.00 0.00 N ATOM 457 CA LEU A 35 -6.415 -7.152 2.209 1.00 0.00 C ATOM 458 C LEU A 35 -6.370 -8.583 1.670 1.00 0.00 C ATOM 459 O LEU A 35 -6.431 -9.541 2.438 1.00 0.00 O ATOM 460 CB LEU A 35 -7.775 -6.471 2.035 1.00 0.00 C ATOM 461 CG LEU A 35 -7.842 -4.996 2.435 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.267 -4.455 2.296 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.282 -4.782 3.842 1.00 0.00 C ATOM 0 H LEU A 35 -5.429 -6.317 0.558 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.249 -7.212 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.071 -6.557 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.512 -7.020 2.622 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.213 -4.428 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.287 -3.405 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.593 -4.552 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.936 -5.023 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.342 -3.725 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.863 -5.364 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.241 -5.105 3.872 1.00 0.00 H new ATOM 474 N SER A 36 -6.266 -8.682 0.353 1.00 0.00 N ATOM 475 CA SER A 36 -6.212 -9.981 -0.298 1.00 0.00 C ATOM 476 C SER A 36 -5.478 -9.866 -1.635 1.00 0.00 C ATOM 477 O SER A 36 -5.637 -8.879 -2.352 1.00 0.00 O ATOM 478 CB SER A 36 -7.618 -10.548 -0.510 1.00 0.00 C ATOM 479 OG SER A 36 -7.699 -11.922 -0.143 1.00 0.00 O ATOM 0 H SER A 36 -6.218 -7.885 -0.281 1.00 0.00 H new ATOM 0 HA SER A 36 -5.666 -10.667 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.334 -9.973 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.901 -10.435 -1.557 1.00 0.00 H new ATOM 0 HG SER A 36 -8.612 -12.247 -0.291 1.00 0.00 H new ATOM 484 N VAL A 37 -4.689 -10.888 -1.930 1.00 0.00 N ATOM 485 CA VAL A 37 -3.929 -10.915 -3.169 1.00 0.00 C ATOM 486 C VAL A 37 -4.559 -11.928 -4.126 1.00 0.00 C ATOM 487 O VAL A 37 -5.411 -12.720 -3.725 1.00 0.00 O ATOM 488 CB VAL A 37 -2.457 -11.207 -2.873 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.637 -11.248 -4.164 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.882 -10.185 -1.890 1.00 0.00 C ATOM 0 H VAL A 37 -4.559 -11.704 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.961 -9.942 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.397 -12.190 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.594 -11.457 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.024 -12.031 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.708 -10.285 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.834 -10.416 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.961 -9.185 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.441 -10.225 -0.955 1.00 0.00 H new ATOM 500 N LYS A 38 -4.117 -11.871 -5.373 1.00 0.00 N ATOM 501 CA LYS A 38 -4.625 -12.774 -6.391 1.00 0.00 C ATOM 502 C LYS A 38 -3.626 -12.849 -7.548 1.00 0.00 C ATOM 503 O LYS A 38 -2.570 -12.221 -7.500 1.00 0.00 O ATOM 504 CB LYS A 38 -6.033 -12.357 -6.821 1.00 0.00 C ATOM 505 CG LYS A 38 -6.940 -13.578 -6.987 1.00 0.00 C ATOM 506 CD LYS A 38 -7.417 -13.716 -8.434 1.00 0.00 C ATOM 507 CE LYS A 38 -8.891 -13.324 -8.565 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.130 -11.996 -7.957 1.00 0.00 N ATOM 0 H LYS A 38 -3.411 -11.212 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.723 -13.783 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.459 -11.682 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.982 -11.807 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.401 -14.478 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.801 -13.489 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.810 -13.084 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.279 -14.744 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.176 -13.306 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.517 -14.072 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.923 -11.530 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.360 -12.112 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.275 -11.412 -8.052 1.00 0.00 H new ATOM 518 N ASP A 39 -3.996 -13.620 -8.559 1.00 0.00 N ATOM 519 CA ASP A 39 -3.145 -13.785 -9.725 1.00 0.00 C ATOM 520 C ASP A 39 -3.998 -14.233 -10.914 1.00 0.00 C ATOM 521 O ASP A 39 -4.611 -15.299 -10.875 1.00 0.00 O ATOM 522 CB ASP A 39 -2.076 -14.852 -9.481 1.00 0.00 C ATOM 523 CG ASP A 39 -1.544 -15.535 -10.742 1.00 0.00 C ATOM 524 OD1 ASP A 39 -2.181 -16.525 -11.164 1.00 0.00 O ATOM 525 OD2 ASP A 39 -0.512 -15.052 -11.258 1.00 0.00 O ATOM 0 H ASP A 39 -4.874 -14.138 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.661 -12.830 -9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.239 -14.393 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.489 -15.614 -8.820 1.00 0.00 H new ATOM 529 N ILE A 40 -4.009 -13.397 -11.942 1.00 0.00 N ATOM 530 CA ILE A 40 -4.776 -13.695 -13.139 1.00 0.00 C ATOM 531 C ILE A 40 -3.850 -13.650 -14.356 1.00 0.00 C ATOM 532 O ILE A 40 -3.654 -12.593 -14.954 1.00 0.00 O ATOM 533 CB ILE A 40 -5.981 -12.757 -13.249 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.743 -12.687 -11.924 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.889 -13.166 -14.411 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.158 -14.082 -11.455 1.00 0.00 C ATOM 0 H ILE A 40 -3.499 -12.514 -11.970 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.188 -14.703 -13.088 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.615 -11.753 -13.464 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.118 -12.216 -11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.628 -12.061 -12.042 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.737 -12.484 -14.467 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.327 -13.124 -15.344 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.250 -14.182 -14.250 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.698 -14.003 -10.511 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.803 -14.541 -12.204 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.270 -14.698 -11.314 1.00 0.00 H new ATOM 547 N SER A 41 -3.306 -14.812 -14.688 1.00 0.00 N ATOM 548 CA SER A 41 -2.407 -14.920 -15.824 1.00 0.00 C ATOM 549 C SER A 41 -1.193 -14.011 -15.618 1.00 0.00 C ATOM 550 O SER A 41 -0.801 -13.277 -16.524 1.00 0.00 O ATOM 551 CB SER A 41 -3.120 -14.563 -17.129 1.00 0.00 C ATOM 552 OG SER A 41 -2.840 -15.502 -18.164 1.00 0.00 O ATOM 0 H SER A 41 -3.471 -15.687 -14.190 1.00 0.00 H new ATOM 0 HA SER A 41 -2.072 -15.955 -15.897 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.195 -14.524 -16.956 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.813 -13.568 -17.450 1.00 0.00 H new ATOM 0 HG SER A 41 -3.315 -15.240 -18.980 1.00 0.00 H new ATOM 557 N GLY A 42 -0.633 -14.089 -14.420 1.00 0.00 N ATOM 558 CA GLY A 42 0.529 -13.282 -14.083 1.00 0.00 C ATOM 559 C GLY A 42 0.108 -11.947 -13.468 1.00 0.00 C ATOM 560 O GLY A 42 0.886 -11.313 -12.756 1.00 0.00 O ATOM 0 H GLY A 42 -0.961 -14.698 -13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.163 -13.825 -13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.124 -13.103 -14.978 1.00 0.00 H new ATOM 564 N ARG A 43 -1.123 -11.556 -13.765 1.00 0.00 N ATOM 565 CA ARG A 43 -1.656 -10.307 -13.249 1.00 0.00 C ATOM 566 C ARG A 43 -2.086 -10.474 -11.791 1.00 0.00 C ATOM 567 O ARG A 43 -3.210 -10.893 -11.515 1.00 0.00 O ATOM 568 CB ARG A 43 -2.854 -9.837 -14.076 1.00 0.00 C ATOM 569 CG ARG A 43 -3.042 -8.322 -13.960 1.00 0.00 C ATOM 570 CD ARG A 43 -4.109 -7.979 -12.919 1.00 0.00 C ATOM 571 NE ARG A 43 -5.267 -7.332 -13.575 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.190 -6.203 -14.291 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.009 -5.588 -14.448 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.293 -5.687 -14.851 1.00 0.00 N ATOM 0 H ARG A 43 -1.766 -12.082 -14.356 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.867 -9.558 -13.314 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.708 -10.110 -15.121 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.756 -10.346 -13.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.097 -7.855 -13.684 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.329 -7.913 -14.929 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.431 -8.884 -12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.691 -7.314 -12.163 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.181 -7.774 -13.476 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.169 -5.980 -14.022 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.950 -4.728 -14.993 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.192 -6.154 -14.732 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.234 -4.827 -15.396 1.00 0.00 H new ATOM 585 N LYS A 44 -1.170 -10.139 -10.895 1.00 0.00 N ATOM 586 CA LYS A 44 -1.440 -10.247 -9.471 1.00 0.00 C ATOM 587 C LYS A 44 -2.338 -9.088 -9.037 1.00 0.00 C ATOM 588 O LYS A 44 -2.019 -7.925 -9.280 1.00 0.00 O ATOM 589 CB LYS A 44 -0.132 -10.340 -8.683 1.00 0.00 C ATOM 590 CG LYS A 44 0.170 -11.788 -8.290 1.00 0.00 C ATOM 591 CD LYS A 44 0.475 -11.898 -6.795 1.00 0.00 C ATOM 592 CE LYS A 44 1.859 -11.330 -6.475 1.00 0.00 C ATOM 593 NZ LYS A 44 2.007 -11.116 -5.018 1.00 0.00 N ATOM 0 H LYS A 44 -0.239 -9.792 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.981 -11.168 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.687 -9.944 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.198 -9.723 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.682 -12.421 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.019 -12.155 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.283 -11.361 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.426 -12.942 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.630 -12.015 -6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.003 -10.388 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.003 -11.247 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.707 -10.150 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.416 -11.801 -4.505 1.00 0.00 H new ATOM 603 N LEU A 45 -3.445 -9.444 -8.401 1.00 0.00 N ATOM 604 CA LEU A 45 -4.392 -8.447 -7.931 1.00 0.00 C ATOM 605 C LEU A 45 -4.261 -8.301 -6.413 1.00 0.00 C ATOM 606 O LEU A 45 -3.845 -9.236 -5.731 1.00 0.00 O ATOM 607 CB LEU A 45 -5.808 -8.792 -8.396 1.00 0.00 C ATOM 608 CG LEU A 45 -6.397 -7.886 -9.480 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.297 -7.328 -10.385 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.478 -8.618 -10.277 1.00 0.00 C ATOM 0 H LEU A 45 -3.707 -10.409 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.167 -7.473 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.808 -9.817 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.470 -8.767 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.875 -7.036 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.742 -6.688 -11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.594 -6.747 -9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.769 -8.151 -10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.880 -7.952 -11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.046 -9.498 -10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.279 -8.926 -9.605 1.00 0.00 H new ATOM 621 N PHE A 46 -4.623 -7.122 -5.931 1.00 0.00 N ATOM 622 CA PHE A 46 -4.552 -6.843 -4.506 1.00 0.00 C ATOM 623 C PHE A 46 -5.672 -5.892 -4.077 1.00 0.00 C ATOM 624 O PHE A 46 -5.773 -4.777 -4.588 1.00 0.00 O ATOM 625 CB PHE A 46 -3.202 -6.169 -4.250 1.00 0.00 C ATOM 626 CG PHE A 46 -2.013 -6.902 -4.876 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.392 -7.899 -4.191 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.577 -6.556 -6.117 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.289 -8.580 -4.772 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.474 -7.235 -6.697 1.00 0.00 C ATOM 631 CZ PHE A 46 0.147 -8.233 -6.012 1.00 0.00 C ATOM 0 H PHE A 46 -4.966 -6.349 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.660 -7.768 -3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.235 -5.152 -4.640 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.043 -6.093 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.737 -8.173 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.070 -5.764 -6.661 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.203 -9.373 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.128 -6.959 -7.682 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.986 -8.750 -6.453 1.00 0.00 H new ATOM 640 N TYR A 47 -6.483 -6.367 -3.144 1.00 0.00 N ATOM 641 CA TYR A 47 -7.592 -5.574 -2.641 1.00 0.00 C ATOM 642 C TYR A 47 -7.118 -4.584 -1.575 1.00 0.00 C ATOM 643 O TYR A 47 -7.069 -4.918 -0.391 1.00 0.00 O ATOM 644 CB TYR A 47 -8.565 -6.566 -2.003 1.00 0.00 C ATOM 645 CG TYR A 47 -9.926 -5.962 -1.649 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.581 -5.157 -2.557 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.498 -6.224 -0.419 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.862 -4.588 -2.224 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.778 -5.655 -0.086 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.397 -4.866 -1.004 1.00 0.00 C ATOM 651 OH TYR A 47 -13.606 -4.329 -0.689 1.00 0.00 O ATOM 0 H TYR A 47 -6.395 -7.292 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.050 -5.000 -3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.716 -7.402 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.113 -6.972 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.133 -4.953 -3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.986 -6.855 0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.385 -3.956 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.236 -5.851 0.872 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.865 -4.613 0.212 1.00 0.00 H new ATOM 660 N VAL A 48 -6.780 -3.387 -2.031 1.00 0.00 N ATOM 661 CA VAL A 48 -6.312 -2.348 -1.132 1.00 0.00 C ATOM 662 C VAL A 48 -7.486 -1.443 -0.750 1.00 0.00 C ATOM 663 O VAL A 48 -8.344 -1.150 -1.581 1.00 0.00 O ATOM 664 CB VAL A 48 -5.152 -1.584 -1.773 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.036 -2.539 -2.200 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.636 -0.742 -2.955 1.00 0.00 C ATOM 0 H VAL A 48 -6.821 -3.114 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.926 -2.785 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.744 -0.905 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.224 -1.970 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.662 -3.075 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.426 -3.254 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.792 -0.209 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.083 -1.393 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.379 -0.023 -2.610 1.00 0.00 H new ATOM 676 N HIS A 49 -7.485 -1.026 0.507 1.00 0.00 N ATOM 677 CA HIS A 49 -8.539 -0.159 1.009 1.00 0.00 C ATOM 678 C HIS A 49 -7.979 1.244 1.250 1.00 0.00 C ATOM 679 O HIS A 49 -7.071 1.423 2.060 1.00 0.00 O ATOM 680 CB HIS A 49 -9.188 -0.761 2.257 1.00 0.00 C ATOM 681 CG HIS A 49 -9.995 0.226 3.067 1.00 0.00 C ATOM 682 ND1 HIS A 49 -10.024 0.465 4.409 1.00 0.00 N flip ATOM 683 CD2 HIS A 49 -10.901 1.102 2.492 1.00 0.00 C flip ATOM 684 CE1 HIS A 49 -10.899 1.435 4.643 1.00 0.00 C flip ATOM 685 NE2 HIS A 49 -11.444 1.831 3.456 1.00 0.00 N flip ATOM 0 H HIS A 49 -6.772 -1.272 1.193 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.330 -0.073 0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.836 -1.584 1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.409 -1.184 2.891 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -9.468 -0.019 5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -11.126 1.178 1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -11.140 1.844 5.613 1.00 0.00 H new ATOM 692 N TYR A 50 -8.544 2.202 0.531 1.00 0.00 N ATOM 693 CA TYR A 50 -8.112 3.585 0.656 1.00 0.00 C ATOM 694 C TYR A 50 -8.489 4.154 2.025 1.00 0.00 C ATOM 695 O TYR A 50 -9.440 4.925 2.140 1.00 0.00 O ATOM 696 CB TYR A 50 -8.862 4.360 -0.430 1.00 0.00 C ATOM 697 CG TYR A 50 -8.405 4.035 -1.853 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.079 4.188 -2.205 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.320 3.590 -2.786 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.650 3.882 -3.544 1.00 0.00 C ATOM 701 CE2 TYR A 50 -8.890 3.284 -4.126 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.576 3.445 -4.440 1.00 0.00 C ATOM 703 OH TYR A 50 -7.171 3.156 -5.705 1.00 0.00 O ATOM 0 H TYR A 50 -9.297 2.049 -0.140 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.030 3.661 0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.928 4.147 -0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.735 5.428 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.364 4.537 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.358 3.471 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.615 3.997 -3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.595 2.934 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.939 2.854 -6.234 1.00 0.00 H new ATOM 712 N ILE A 51 -7.723 3.753 3.029 1.00 0.00 N ATOM 713 CA ILE A 51 -7.965 4.214 4.385 1.00 0.00 C ATOM 714 C ILE A 51 -8.203 5.725 4.372 1.00 0.00 C ATOM 715 O ILE A 51 -7.253 6.506 4.334 1.00 0.00 O ATOM 716 CB ILE A 51 -6.825 3.779 5.310 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.478 3.848 4.589 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.093 2.391 5.894 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.964 2.447 4.252 1.00 0.00 C ATOM 0 H ILE A 51 -6.934 3.114 2.930 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.867 3.753 4.788 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.778 4.476 6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.581 4.431 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.752 4.365 5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.268 2.106 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.020 2.410 6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.182 1.667 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.005 2.525 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.839 1.874 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.681 1.942 3.605 1.00 0.00 H new ATOM 730 N ASP A 52 -9.476 6.091 4.400 1.00 0.00 N ATOM 731 CA ASP A 52 -9.850 7.496 4.391 1.00 0.00 C ATOM 732 C ASP A 52 -11.359 7.617 4.610 1.00 0.00 C ATOM 733 O ASP A 52 -12.060 6.611 4.701 1.00 0.00 O ATOM 734 CB ASP A 52 -9.513 8.147 3.049 1.00 0.00 C ATOM 735 CG ASP A 52 -8.532 9.319 3.127 1.00 0.00 C ATOM 736 OD1 ASP A 52 -8.683 10.123 4.072 1.00 0.00 O ATOM 737 OD2 ASP A 52 -7.655 9.384 2.240 1.00 0.00 O ATOM 0 H ASP A 52 -10.261 5.440 4.429 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.296 7.998 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.096 7.387 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.438 8.497 2.589 1.00 0.00 H new ATOM 741 N PHE A 53 -11.815 8.859 4.689 1.00 0.00 N ATOM 742 CA PHE A 53 -13.228 9.126 4.896 1.00 0.00 C ATOM 743 C PHE A 53 -14.073 8.493 3.787 1.00 0.00 C ATOM 744 O PHE A 53 -13.547 7.792 2.924 1.00 0.00 O ATOM 745 CB PHE A 53 -13.408 10.645 4.853 1.00 0.00 C ATOM 746 CG PHE A 53 -13.176 11.336 6.198 1.00 0.00 C ATOM 747 CD1 PHE A 53 -14.053 11.147 7.221 1.00 0.00 C ATOM 748 CD2 PHE A 53 -12.091 12.138 6.373 1.00 0.00 C ATOM 749 CE1 PHE A 53 -13.838 11.789 8.469 1.00 0.00 C ATOM 750 CE2 PHE A 53 -11.876 12.780 7.621 1.00 0.00 C ATOM 751 CZ PHE A 53 -12.753 12.592 8.643 1.00 0.00 C ATOM 0 H PHE A 53 -11.230 9.691 4.613 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.551 8.705 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.719 11.062 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.417 10.872 4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.913 10.508 7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.393 12.286 5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.535 11.640 9.280 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.015 13.418 7.759 1.00 0.00 H new ATOM 0 HZ PHE A 53 -12.589 13.080 9.592 1.00 0.00 H new ATOM 760 N ASN A 54 -15.368 8.765 3.846 1.00 0.00 N ATOM 761 CA ASN A 54 -16.291 8.233 2.859 1.00 0.00 C ATOM 762 C ASN A 54 -16.507 6.741 3.122 1.00 0.00 C ATOM 763 O ASN A 54 -15.624 6.065 3.645 1.00 0.00 O ATOM 764 CB ASN A 54 -15.732 8.386 1.443 1.00 0.00 C ATOM 765 CG ASN A 54 -15.111 9.771 1.246 1.00 0.00 C ATOM 766 OD1 ASN A 54 -15.029 10.578 2.157 1.00 0.00 O ATOM 767 ND2 ASN A 54 -14.683 10.001 0.008 1.00 0.00 N ATOM 0 H ASN A 54 -15.800 9.348 4.563 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.227 8.786 2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.981 7.617 1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.529 8.234 0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.255 10.897 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.782 9.281 -0.708 1.00 0.00 H new ATOM 773 N ARG A 55 -17.689 6.272 2.747 1.00 0.00 N ATOM 774 CA ARG A 55 -18.032 4.873 2.937 1.00 0.00 C ATOM 775 C ARG A 55 -18.006 4.133 1.598 1.00 0.00 C ATOM 776 O ARG A 55 -18.711 3.142 1.417 1.00 0.00 O ATOM 777 CB ARG A 55 -19.420 4.726 3.565 1.00 0.00 C ATOM 778 CG ARG A 55 -20.515 5.151 2.582 1.00 0.00 C ATOM 779 CD ARG A 55 -21.402 3.963 2.205 1.00 0.00 C ATOM 780 NE ARG A 55 -22.704 4.448 1.695 1.00 0.00 N ATOM 781 CZ ARG A 55 -23.796 3.680 1.574 1.00 0.00 C ATOM 782 NH1 ARG A 55 -23.749 2.388 1.926 1.00 0.00 N ATOM 783 NH2 ARG A 55 -24.935 4.205 1.102 1.00 0.00 N ATOM 0 H ARG A 55 -18.420 6.836 2.313 1.00 0.00 H new ATOM 0 HA ARG A 55 -17.293 4.440 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -19.579 3.691 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -19.481 5.334 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -21.124 5.938 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -20.061 5.570 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -20.908 3.355 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -21.557 3.324 3.074 1.00 0.00 H new ATOM 0 HE ARG A 55 -22.775 5.427 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -22.882 1.989 2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -24.580 1.804 1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -24.971 5.189 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -25.766 3.621 1.010 1.00 0.00 H new ATOM 794 N ARG A 56 -17.185 4.646 0.692 1.00 0.00 N ATOM 795 CA ARG A 56 -17.057 4.046 -0.625 1.00 0.00 C ATOM 796 C ARG A 56 -15.581 3.850 -0.978 1.00 0.00 C ATOM 797 O ARG A 56 -15.000 4.656 -1.705 1.00 0.00 O ATOM 798 CB ARG A 56 -17.718 4.918 -1.693 1.00 0.00 C ATOM 799 CG ARG A 56 -19.026 4.292 -2.181 1.00 0.00 C ATOM 800 CD ARG A 56 -19.124 4.345 -3.707 1.00 0.00 C ATOM 801 NE ARG A 56 -19.524 3.021 -4.234 1.00 0.00 N ATOM 802 CZ ARG A 56 -19.633 2.733 -5.538 1.00 0.00 C ATOM 803 NH1 ARG A 56 -19.370 3.675 -6.456 1.00 0.00 N ATOM 804 NH2 ARG A 56 -20.002 1.505 -5.925 1.00 0.00 N ATOM 0 H ARG A 56 -16.603 5.470 0.844 1.00 0.00 H new ATOM 0 HA ARG A 56 -17.559 3.079 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.915 5.910 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -17.037 5.048 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -19.085 3.257 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -19.872 4.819 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -19.851 5.100 -4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -18.164 4.640 -4.131 1.00 0.00 H new ATOM 0 HE ARG A 56 -19.730 2.281 -3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.087 4.610 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.453 3.457 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.200 0.788 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.085 1.287 -6.918 1.00 0.00 H new ATOM 815 N LEU A 57 -15.016 2.776 -0.448 1.00 0.00 N ATOM 816 CA LEU A 57 -13.618 2.465 -0.697 1.00 0.00 C ATOM 817 C LEU A 57 -13.464 0.954 -0.893 1.00 0.00 C ATOM 818 O LEU A 57 -14.427 0.267 -1.229 1.00 0.00 O ATOM 819 CB LEU A 57 -12.735 3.034 0.414 1.00 0.00 C ATOM 820 CG LEU A 57 -12.984 4.497 0.784 1.00 0.00 C ATOM 821 CD1 LEU A 57 -12.604 4.766 2.242 1.00 0.00 C ATOM 822 CD2 LEU A 57 -12.260 5.439 -0.180 1.00 0.00 C ATOM 0 H LEU A 57 -15.501 2.110 0.153 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.279 2.943 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.872 2.425 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.693 2.928 0.113 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.051 4.696 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.791 5.813 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.203 4.133 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.547 4.543 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.454 6.473 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.188 5.247 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.621 5.270 -1.194 1.00 0.00 H new ATOM 833 N ASP A 58 -12.246 0.483 -0.673 1.00 0.00 N ATOM 834 CA ASP A 58 -11.953 -0.933 -0.819 1.00 0.00 C ATOM 835 C ASP A 58 -12.166 -1.344 -2.278 1.00 0.00 C ATOM 836 O ASP A 58 -13.300 -1.404 -2.751 1.00 0.00 O ATOM 837 CB ASP A 58 -12.882 -1.780 0.051 1.00 0.00 C ATOM 838 CG ASP A 58 -13.319 -1.123 1.361 1.00 0.00 C ATOM 839 OD1 ASP A 58 -14.275 -0.320 1.302 1.00 0.00 O ATOM 840 OD2 ASP A 58 -12.687 -1.438 2.393 1.00 0.00 O ATOM 0 H ASP A 58 -11.450 1.057 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.921 -1.098 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.772 -2.028 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.381 -2.720 0.283 1.00 0.00 H new ATOM 844 N GLU A 59 -11.057 -1.617 -2.950 1.00 0.00 N ATOM 845 CA GLU A 59 -11.108 -2.021 -4.345 1.00 0.00 C ATOM 846 C GLU A 59 -9.827 -2.766 -4.729 1.00 0.00 C ATOM 847 O GLU A 59 -8.807 -2.642 -4.053 1.00 0.00 O ATOM 848 CB GLU A 59 -11.334 -0.814 -5.258 1.00 0.00 C ATOM 849 CG GLU A 59 -10.186 0.189 -5.136 1.00 0.00 C ATOM 850 CD GLU A 59 -10.103 1.082 -6.377 1.00 0.00 C ATOM 851 OE1 GLU A 59 -10.890 2.050 -6.432 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.255 0.774 -7.241 1.00 0.00 O ATOM 0 H GLU A 59 -10.118 -1.566 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.953 -2.698 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.422 -1.147 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.275 -0.328 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.330 0.806 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.245 -0.345 -5.004 1.00 0.00 H new ATOM 857 N TRP A 60 -9.923 -3.522 -5.812 1.00 0.00 N ATOM 858 CA TRP A 60 -8.785 -4.287 -6.294 1.00 0.00 C ATOM 859 C TRP A 60 -7.881 -3.339 -7.087 1.00 0.00 C ATOM 860 O TRP A 60 -8.357 -2.376 -7.685 1.00 0.00 O ATOM 861 CB TRP A 60 -9.244 -5.497 -7.110 1.00 0.00 C ATOM 862 CG TRP A 60 -10.131 -6.471 -6.333 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.441 -6.366 -6.072 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.716 -7.711 -5.721 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.899 -7.443 -5.341 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.817 -8.287 -5.121 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.452 -8.326 -5.678 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.765 -9.505 -4.433 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.417 -9.543 -4.986 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.516 -10.135 -4.376 1.00 0.00 C ATOM 0 H TRP A 60 -10.771 -3.622 -6.370 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.215 -4.697 -5.461 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.789 -5.146 -7.986 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.366 -6.032 -7.473 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.061 -5.542 -6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.856 -7.592 -5.021 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.578 -7.894 -6.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.641 -9.936 -3.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.469 -10.057 -4.922 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.407 -11.077 -3.860 1.00 0.00 H new ATOM 880 N VAL A 61 -6.592 -3.648 -7.064 1.00 0.00 N ATOM 881 CA VAL A 61 -5.617 -2.836 -7.772 1.00 0.00 C ATOM 882 C VAL A 61 -4.519 -3.742 -8.335 1.00 0.00 C ATOM 883 O VAL A 61 -4.608 -4.964 -8.238 1.00 0.00 O ATOM 884 CB VAL A 61 -5.076 -1.743 -6.848 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.100 -0.620 -6.669 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.657 -2.325 -5.498 1.00 0.00 C ATOM 0 H VAL A 61 -6.201 -4.448 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.083 -2.327 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.190 -1.315 -7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.691 0.144 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.327 -0.177 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.013 -1.026 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.276 -1.527 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.518 -2.792 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.877 -3.072 -5.650 1.00 0.00 H new ATOM 896 N THR A 62 -3.510 -3.105 -8.910 1.00 0.00 N ATOM 897 CA THR A 62 -2.396 -3.838 -9.488 1.00 0.00 C ATOM 898 C THR A 62 -1.075 -3.379 -8.866 1.00 0.00 C ATOM 899 O THR A 62 -1.028 -2.356 -8.184 1.00 0.00 O ATOM 900 CB THR A 62 -2.448 -3.656 -11.007 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.662 -2.259 -11.183 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.683 -4.306 -11.631 1.00 0.00 C ATOM 0 H THR A 62 -3.440 -2.090 -8.988 1.00 0.00 H new ATOM 0 HA THR A 62 -2.468 -4.904 -9.271 1.00 0.00 H new ATOM 0 HB THR A 62 -1.550 -4.081 -11.455 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.707 -2.053 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.672 -4.148 -12.709 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.677 -5.376 -11.421 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.583 -3.859 -11.208 1.00 0.00 H new ATOM 910 N HIS A 63 -0.034 -4.156 -9.124 1.00 0.00 N ATOM 911 CA HIS A 63 1.283 -3.843 -8.598 1.00 0.00 C ATOM 912 C HIS A 63 1.743 -2.487 -9.139 1.00 0.00 C ATOM 913 O HIS A 63 2.672 -1.884 -8.605 1.00 0.00 O ATOM 914 CB HIS A 63 2.273 -4.969 -8.904 1.00 0.00 C ATOM 915 CG HIS A 63 3.714 -4.611 -8.629 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.260 -3.729 -7.743 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.773 -5.191 -9.306 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.580 -3.767 -7.872 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.901 -4.673 -8.841 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.076 -5.003 -9.691 1.00 0.00 H new ATOM 0 HA HIS A 63 1.235 -3.765 -7.512 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.007 -5.844 -8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.173 -5.252 -9.952 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.741 -3.140 -7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.694 -5.939 -10.081 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.285 -3.178 -7.304 1.00 0.00 H new ATOM 926 N GLU A 64 1.069 -2.048 -10.193 1.00 0.00 N ATOM 927 CA GLU A 64 1.396 -0.774 -10.811 1.00 0.00 C ATOM 928 C GLU A 64 1.134 0.374 -9.834 1.00 0.00 C ATOM 929 O GLU A 64 1.919 1.318 -9.756 1.00 0.00 O ATOM 930 CB GLU A 64 0.611 -0.579 -12.110 1.00 0.00 C ATOM 931 CG GLU A 64 1.276 0.475 -12.999 1.00 0.00 C ATOM 932 CD GLU A 64 0.728 0.413 -14.426 1.00 0.00 C ATOM 933 OE1 GLU A 64 1.154 -0.505 -15.159 1.00 0.00 O ATOM 934 OE2 GLU A 64 -0.107 1.285 -14.751 1.00 0.00 O ATOM 0 H GLU A 64 0.299 -2.551 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 64 2.457 -0.775 -11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.548 -1.526 -12.647 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.410 -0.274 -11.880 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.105 1.468 -12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.354 0.317 -13.012 1.00 0.00 H new ATOM 939 N ARG A 65 0.029 0.255 -9.113 1.00 0.00 N ATOM 940 CA ARG A 65 -0.346 1.271 -8.144 1.00 0.00 C ATOM 941 C ARG A 65 0.355 1.014 -6.809 1.00 0.00 C ATOM 942 O ARG A 65 0.573 1.942 -6.030 1.00 0.00 O ATOM 943 CB ARG A 65 -1.859 1.289 -7.923 1.00 0.00 C ATOM 944 CG ARG A 65 -2.593 1.740 -9.187 1.00 0.00 C ATOM 945 CD ARG A 65 -3.748 0.792 -9.520 1.00 0.00 C ATOM 946 NE ARG A 65 -4.989 1.566 -9.747 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.141 1.030 -10.170 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.218 -0.285 -10.415 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.216 1.809 -10.350 1.00 0.00 N ATOM 0 H ARG A 65 -0.619 -0.530 -9.180 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.037 2.238 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.200 0.294 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.102 1.960 -7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.976 2.751 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.895 1.776 -10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.506 0.209 -10.408 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.895 0.084 -8.704 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.965 2.570 -9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.399 -0.878 -10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.095 -0.693 -10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.157 2.810 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.093 1.401 -10.672 1.00 0.00 H new ATOM 960 N LEU A 66 0.688 -0.248 -6.584 1.00 0.00 N ATOM 961 CA LEU A 66 1.360 -0.638 -5.356 1.00 0.00 C ATOM 962 C LEU A 66 2.775 -0.057 -5.348 1.00 0.00 C ATOM 963 O LEU A 66 3.628 -0.480 -6.127 1.00 0.00 O ATOM 964 CB LEU A 66 1.317 -2.158 -5.181 1.00 0.00 C ATOM 965 CG LEU A 66 -0.075 -2.791 -5.155 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.015 -4.316 -5.229 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.868 -2.323 -3.932 1.00 0.00 C ATOM 0 H LEU A 66 0.505 -1.014 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 66 0.841 -0.226 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.886 -2.613 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.827 -2.411 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.618 -2.457 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.988 -4.741 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.514 -4.607 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.584 -4.689 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.854 -2.788 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.338 -2.608 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.978 -1.239 -3.963 1.00 0.00 H new ATOM 978 N ASP A 67 2.982 0.903 -4.459 1.00 0.00 N ATOM 979 CA ASP A 67 4.280 1.545 -4.339 1.00 0.00 C ATOM 980 C ASP A 67 5.047 0.921 -3.172 1.00 0.00 C ATOM 981 O ASP A 67 5.155 1.520 -2.102 1.00 0.00 O ATOM 982 CB ASP A 67 4.129 3.042 -4.058 1.00 0.00 C ATOM 983 CG ASP A 67 5.442 3.791 -3.819 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.393 3.131 -3.345 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.465 5.004 -4.117 1.00 0.00 O ATOM 0 H ASP A 67 2.272 1.252 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 67 4.814 1.405 -5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.613 3.504 -4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.491 3.170 -3.183 1.00 0.00 H new ATOM 989 N LEU A 68 5.562 -0.276 -3.416 1.00 0.00 N ATOM 990 CA LEU A 68 6.317 -0.988 -2.399 1.00 0.00 C ATOM 991 C LEU A 68 7.459 -0.100 -1.902 1.00 0.00 C ATOM 992 O LEU A 68 8.002 -0.327 -0.823 1.00 0.00 O ATOM 993 CB LEU A 68 6.780 -2.346 -2.929 1.00 0.00 C ATOM 994 CG LEU A 68 5.784 -3.094 -3.818 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.191 -4.560 -3.983 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.358 -2.953 -3.283 1.00 0.00 C ATOM 0 H LEU A 68 5.471 -0.770 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 68 5.685 -1.206 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.701 -2.199 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.026 -2.981 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 68 5.803 -2.640 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.467 -5.069 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.178 -4.614 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.218 -5.042 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.670 -3.494 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.305 -3.365 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.081 -1.899 -3.259 1.00 0.00 H new ATOM 1007 N LYS A 69 7.790 0.893 -2.714 1.00 0.00 N ATOM 1008 CA LYS A 69 8.858 1.818 -2.371 1.00 0.00 C ATOM 1009 C LYS A 69 8.415 2.688 -1.194 1.00 0.00 C ATOM 1010 O LYS A 69 9.213 3.441 -0.638 1.00 0.00 O ATOM 1011 CB LYS A 69 9.290 2.619 -3.600 1.00 0.00 C ATOM 1012 CG LYS A 69 9.615 1.691 -4.773 1.00 0.00 C ATOM 1013 CD LYS A 69 10.991 2.010 -5.359 1.00 0.00 C ATOM 1014 CE LYS A 69 11.003 1.804 -6.875 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.353 2.065 -7.423 1.00 0.00 N ATOM 0 H LYS A 69 7.337 1.078 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 69 9.745 1.272 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.496 3.309 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.164 3.223 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.590 0.654 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.853 1.795 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.259 3.041 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.744 1.372 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.699 0.784 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.279 2.470 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.343 1.921 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.629 3.045 -7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.036 1.412 -6.988 1.00 0.00 H new ATOM 1025 N LYS A 70 7.142 2.557 -0.848 1.00 0.00 N ATOM 1026 CA LYS A 70 6.583 3.323 0.253 1.00 0.00 C ATOM 1027 C LYS A 70 5.745 2.397 1.138 1.00 0.00 C ATOM 1028 O LYS A 70 4.921 2.863 1.923 1.00 0.00 O ATOM 1029 CB LYS A 70 5.811 4.534 -0.274 1.00 0.00 C ATOM 1030 CG LYS A 70 6.718 5.442 -1.107 1.00 0.00 C ATOM 1031 CD LYS A 70 6.530 6.910 -0.717 1.00 0.00 C ATOM 1032 CE LYS A 70 7.579 7.795 -1.394 1.00 0.00 C ATOM 1033 NZ LYS A 70 7.172 8.110 -2.782 1.00 0.00 N ATOM 0 H LYS A 70 6.482 1.932 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 70 7.379 3.729 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.970 4.198 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.396 5.097 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.759 5.154 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.496 5.312 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.531 7.241 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.604 7.015 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.706 8.718 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.544 7.288 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.894 8.711 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.074 7.228 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.262 8.613 -2.771 1.00 0.00 H new ATOM 1043 N ILE A 71 5.986 1.104 0.981 1.00 0.00 N ATOM 1044 CA ILE A 71 5.264 0.109 1.756 1.00 0.00 C ATOM 1045 C ILE A 71 5.527 0.341 3.246 1.00 0.00 C ATOM 1046 O ILE A 71 6.469 1.041 3.612 1.00 0.00 O ATOM 1047 CB ILE A 71 5.618 -1.301 1.281 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.356 -2.102 0.950 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.500 -2.020 2.305 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.699 -3.559 0.635 1.00 0.00 C ATOM 0 H ILE A 71 6.671 0.722 0.329 1.00 0.00 H new ATOM 0 HA ILE A 71 4.190 0.211 1.601 1.00 0.00 H new ATOM 0 HB ILE A 71 6.196 -1.215 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.664 -2.061 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.848 -1.652 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.737 -3.020 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.423 -1.458 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.969 -2.094 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.785 -4.106 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.372 -3.597 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.185 -4.013 1.499 1.00 0.00 H new ATOM 1061 N GLN A 72 4.677 -0.261 4.065 1.00 0.00 N ATOM 1062 CA GLN A 72 4.805 -0.129 5.506 1.00 0.00 C ATOM 1063 C GLN A 72 4.283 -1.388 6.202 1.00 0.00 C ATOM 1064 O GLN A 72 3.312 -1.328 6.955 1.00 0.00 O ATOM 1065 CB GLN A 72 4.076 1.118 6.010 1.00 0.00 C ATOM 1066 CG GLN A 72 4.913 2.376 5.769 1.00 0.00 C ATOM 1067 CD GLN A 72 4.457 3.520 6.677 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.130 3.904 7.619 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.280 4.041 6.342 1.00 0.00 N ATOM 0 H GLN A 72 3.897 -0.842 3.758 1.00 0.00 H new ATOM 0 HA GLN A 72 5.862 -0.014 5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.116 1.213 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.865 1.015 7.074 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.965 2.158 5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.828 2.679 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.768 3.672 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.889 4.810 6.886 1.00 0.00 H new ATOM 1076 N PHE A 73 4.952 -2.498 5.927 1.00 0.00 N ATOM 1077 CA PHE A 73 4.567 -3.769 6.519 1.00 0.00 C ATOM 1078 C PHE A 73 4.067 -3.579 7.952 1.00 0.00 C ATOM 1079 O PHE A 73 4.458 -2.628 8.628 1.00 0.00 O ATOM 1080 CB PHE A 73 5.819 -4.648 6.541 1.00 0.00 C ATOM 1081 CG PHE A 73 6.082 -5.389 5.228 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.650 -4.734 4.180 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.750 -6.703 5.110 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.894 -5.422 2.962 1.00 0.00 C ATOM 1085 CE2 PHE A 73 5.995 -7.390 3.891 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.561 -6.735 2.843 1.00 0.00 C ATOM 0 H PHE A 73 5.757 -2.544 5.303 1.00 0.00 H new ATOM 0 HA PHE A 73 3.762 -4.220 5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.683 -4.026 6.775 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.724 -5.377 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.915 -3.691 4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.300 -7.224 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.344 -4.902 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.731 -8.433 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.746 -7.257 1.916 1.00 0.00 H new ATOM 1095 N PRO A 74 3.186 -4.520 8.383 1.00 0.00 N ATOM 1096 CA PRO A 74 2.628 -4.466 9.723 1.00 0.00 C ATOM 1097 C PRO A 74 3.660 -4.902 10.766 1.00 0.00 C ATOM 1098 O PRO A 74 4.664 -5.527 10.426 1.00 0.00 O ATOM 1099 CB PRO A 74 1.408 -5.372 9.679 1.00 0.00 C ATOM 1100 CG PRO A 74 1.592 -6.259 8.460 1.00 0.00 C ATOM 1101 CD PRO A 74 2.701 -5.660 7.610 1.00 0.00 C ATOM 0 HA PRO A 74 2.346 -3.456 10.020 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.331 -5.968 10.588 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.491 -4.788 9.603 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.849 -7.274 8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.665 -6.321 7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.496 -6.383 7.430 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.328 -5.347 6.635 1.00 0.00 H new ATOM 1106 N LYS A 75 3.377 -4.557 12.013 1.00 0.00 N ATOM 1107 CA LYS A 75 4.268 -4.906 13.107 1.00 0.00 C ATOM 1108 C LYS A 75 3.813 -6.229 13.726 1.00 0.00 C ATOM 1109 O LYS A 75 3.026 -6.238 14.671 1.00 0.00 O ATOM 1110 CB LYS A 75 4.359 -3.755 14.111 1.00 0.00 C ATOM 1111 CG LYS A 75 5.088 -4.194 15.382 1.00 0.00 C ATOM 1112 CD LYS A 75 6.132 -3.158 15.801 1.00 0.00 C ATOM 1113 CE LYS A 75 6.770 -3.532 17.141 1.00 0.00 C ATOM 1114 NZ LYS A 75 7.063 -2.317 17.933 1.00 0.00 N ATOM 0 H LYS A 75 2.543 -4.039 12.291 1.00 0.00 H new ATOM 0 HA LYS A 75 5.283 -5.058 12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.884 -2.913 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.357 -3.408 14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.368 -4.336 16.188 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.572 -5.156 15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.904 -3.084 15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.665 -2.176 15.878 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.099 -4.185 17.700 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.689 -4.092 16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.495 -2.589 18.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.720 -1.708 17.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.180 -1.799 18.113 1.00 0.00 H new ATOM 1124 N LYS A 76 4.330 -7.314 13.169 1.00 0.00 N ATOM 1125 CA LYS A 76 3.987 -8.640 13.656 1.00 0.00 C ATOM 1126 C LYS A 76 5.166 -9.586 13.419 1.00 0.00 C ATOM 1127 O LYS A 76 5.633 -9.733 12.291 1.00 0.00 O ATOM 1128 CB LYS A 76 2.678 -9.120 13.026 1.00 0.00 C ATOM 1129 CG LYS A 76 1.780 -9.789 14.069 1.00 0.00 C ATOM 1130 CD LYS A 76 0.421 -10.154 13.469 1.00 0.00 C ATOM 1131 CE LYS A 76 0.496 -11.478 12.705 1.00 0.00 C ATOM 1132 NZ LYS A 76 0.458 -11.236 11.246 1.00 0.00 N ATOM 0 H LYS A 76 4.983 -7.303 12.386 1.00 0.00 H new ATOM 0 HA LYS A 76 3.807 -8.616 14.731 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.154 -8.275 12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.894 -9.823 12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.266 -10.687 14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.639 -9.118 14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.322 -10.230 14.263 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.091 -9.361 12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.413 -12.006 12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.336 -12.120 12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.510 -12.144 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.428 -10.752 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.266 -10.641 10.972 1.00 0.00 H new ATOM 1142 N GLU A 77 5.614 -10.204 14.503 1.00 0.00 N ATOM 1143 CA GLU A 77 6.730 -11.131 14.428 1.00 0.00 C ATOM 1144 C GLU A 77 6.632 -12.170 15.546 1.00 0.00 C ATOM 1145 O GLU A 77 6.128 -11.877 16.629 1.00 0.00 O ATOM 1146 CB GLU A 77 8.066 -10.387 14.484 1.00 0.00 C ATOM 1147 CG GLU A 77 8.224 -9.644 15.812 1.00 0.00 C ATOM 1148 CD GLU A 77 9.335 -10.267 16.661 1.00 0.00 C ATOM 1149 OE1 GLU A 77 9.206 -11.471 16.969 1.00 0.00 O ATOM 1150 OE2 GLU A 77 10.288 -9.524 16.980 1.00 0.00 O ATOM 0 H GLU A 77 5.224 -10.080 15.437 1.00 0.00 H new ATOM 0 HA GLU A 77 6.682 -11.651 13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.886 -11.094 14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.127 -9.679 13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.452 -8.595 15.621 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.283 -9.671 16.362 1.00 0.00 H new ATOM 1155 N ALA A 78 7.123 -13.364 15.247 1.00 0.00 N ATOM 1156 CA ALA A 78 7.098 -14.448 16.214 1.00 0.00 C ATOM 1157 C ALA A 78 8.376 -14.405 17.054 1.00 0.00 C ATOM 1158 O ALA A 78 8.317 -14.234 18.271 1.00 0.00 O ATOM 1159 CB ALA A 78 6.925 -15.780 15.482 1.00 0.00 C ATOM 0 H ALA A 78 7.541 -13.604 14.348 1.00 0.00 H new ATOM 0 HA ALA A 78 6.253 -14.338 16.894 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.906 -16.594 16.207 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.989 -15.770 14.924 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.757 -15.927 14.793 1.00 0.00 H new ATOM 1165 N LYS A 79 9.501 -14.564 16.373 1.00 0.00 N ATOM 1166 CA LYS A 79 10.790 -14.546 17.042 1.00 0.00 C ATOM 1167 C LYS A 79 11.626 -13.387 16.496 1.00 0.00 C ATOM 1168 O LYS A 79 11.792 -13.252 15.285 1.00 0.00 O ATOM 1169 CB LYS A 79 11.476 -15.909 16.920 1.00 0.00 C ATOM 1170 CG LYS A 79 12.771 -15.946 17.735 1.00 0.00 C ATOM 1171 CD LYS A 79 13.701 -17.052 17.235 1.00 0.00 C ATOM 1172 CE LYS A 79 14.250 -17.876 18.402 1.00 0.00 C ATOM 1173 NZ LYS A 79 15.135 -17.048 19.250 1.00 0.00 N ATOM 0 H LYS A 79 9.546 -14.706 15.364 1.00 0.00 H new ATOM 0 HA LYS A 79 10.662 -14.373 18.111 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.801 -16.692 17.267 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.695 -16.117 15.873 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.276 -14.982 17.666 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.538 -16.110 18.787 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.161 -17.703 16.548 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.527 -16.612 16.675 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.426 -18.266 18.999 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.802 -18.735 18.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.578 -17.646 19.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.874 -16.614 18.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.576 -16.301 19.710 1.00 0.00 H new ATOM 1183 N THR A 80 12.131 -12.579 17.417 1.00 0.00 N ATOM 1184 CA THR A 80 12.946 -11.435 17.043 1.00 0.00 C ATOM 1185 C THR A 80 13.896 -11.806 15.903 1.00 0.00 C ATOM 1186 O THR A 80 14.934 -12.426 16.130 1.00 0.00 O ATOM 1187 CB THR A 80 13.669 -10.939 18.299 1.00 0.00 C ATOM 1188 OG1 THR A 80 14.078 -12.134 18.958 1.00 0.00 O ATOM 1189 CG2 THR A 80 12.719 -10.270 19.295 1.00 0.00 C ATOM 0 H THR A 80 11.992 -12.694 18.421 1.00 0.00 H new ATOM 0 HA THR A 80 12.331 -10.620 16.660 1.00 0.00 H new ATOM 0 HB THR A 80 14.451 -10.235 18.014 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.509 -12.732 18.313 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.282 -9.937 20.167 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.241 -9.412 18.822 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.957 -10.984 19.606 1.00 0.00 H new ATOM 1197 N PRO A 81 13.496 -11.402 14.668 1.00 0.00 N ATOM 1198 CA PRO A 81 14.300 -11.684 13.491 1.00 0.00 C ATOM 1199 C PRO A 81 15.526 -10.772 13.431 1.00 0.00 C ATOM 1200 O PRO A 81 15.707 -10.032 12.466 1.00 0.00 O ATOM 1201 CB PRO A 81 13.356 -11.491 12.315 1.00 0.00 C ATOM 1202 CG PRO A 81 12.198 -10.659 12.842 1.00 0.00 C ATOM 1203 CD PRO A 81 12.273 -10.666 14.360 1.00 0.00 C ATOM 0 HA PRO A 81 14.710 -12.694 13.494 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.858 -10.984 11.491 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.006 -12.450 11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.256 -9.639 12.461 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.247 -11.071 12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.310 -9.652 14.759 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.399 -11.149 14.797 1.00 0.00 H new ATOM 1208 N SER A 82 16.337 -10.854 14.476 1.00 0.00 N ATOM 1209 CA SER A 82 17.540 -10.044 14.555 1.00 0.00 C ATOM 1210 C SER A 82 17.178 -8.602 14.914 1.00 0.00 C ATOM 1211 O SER A 82 17.441 -8.151 16.027 1.00 0.00 O ATOM 1212 CB SER A 82 18.318 -10.085 13.238 1.00 0.00 C ATOM 1213 OG SER A 82 19.721 -10.225 13.450 1.00 0.00 O ATOM 0 H SER A 82 16.184 -11.469 15.275 1.00 0.00 H new ATOM 0 HA SER A 82 18.179 -10.455 15.336 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.959 -10.916 12.630 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.126 -9.172 12.675 1.00 0.00 H new ATOM 0 HG SER A 82 20.182 -10.249 12.585 1.00 0.00 H new ATOM 1218 N GLY A 83 16.581 -7.919 13.949 1.00 0.00 N ATOM 1219 CA GLY A 83 16.180 -6.536 14.149 1.00 0.00 C ATOM 1220 C GLY A 83 15.449 -5.994 12.920 1.00 0.00 C ATOM 1221 O GLY A 83 15.612 -6.513 11.817 1.00 0.00 O ATOM 0 H GLY A 83 16.365 -8.297 13.026 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.532 -6.464 15.023 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.059 -5.925 14.353 1.00 0.00 H new ATOM 1225 N PRO A 84 14.636 -4.929 13.158 1.00 0.00 N ATOM 1226 CA PRO A 84 13.880 -4.311 12.083 1.00 0.00 C ATOM 1227 C PRO A 84 14.787 -3.462 11.190 1.00 0.00 C ATOM 1228 O PRO A 84 15.925 -3.169 11.556 1.00 0.00 O ATOM 1229 CB PRO A 84 12.802 -3.495 12.779 1.00 0.00 C ATOM 1230 CG PRO A 84 13.277 -3.313 14.212 1.00 0.00 C ATOM 1231 CD PRO A 84 14.419 -4.287 14.451 1.00 0.00 C ATOM 0 HA PRO A 84 13.436 -5.043 11.408 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.663 -2.532 12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.842 -4.010 12.748 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.609 -2.288 14.377 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.462 -3.501 14.911 1.00 0.00 H new ATOM 0 HD2 PRO A 84 15.316 -3.770 14.792 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.162 -5.018 15.218 1.00 0.00 H new ATOM 1236 N SER A 85 14.250 -3.091 10.036 1.00 0.00 N ATOM 1237 CA SER A 85 14.998 -2.283 9.090 1.00 0.00 C ATOM 1238 C SER A 85 14.116 -1.152 8.556 1.00 0.00 C ATOM 1239 O SER A 85 13.412 -1.325 7.562 1.00 0.00 O ATOM 1240 CB SER A 85 15.525 -3.136 7.932 1.00 0.00 C ATOM 1241 OG SER A 85 16.866 -3.564 8.153 1.00 0.00 O ATOM 0 H SER A 85 13.306 -3.336 9.736 1.00 0.00 H new ATOM 0 HA SER A 85 15.855 -1.854 9.609 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.883 -4.007 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.475 -2.562 7.007 1.00 0.00 H new ATOM 0 HG SER A 85 17.166 -4.107 7.394 1.00 0.00 H new ATOM 1246 N SER A 86 14.183 -0.020 9.239 1.00 0.00 N ATOM 1247 CA SER A 86 13.400 1.140 8.847 1.00 0.00 C ATOM 1248 C SER A 86 13.811 2.356 9.679 1.00 0.00 C ATOM 1249 O SER A 86 14.202 2.216 10.838 1.00 0.00 O ATOM 1250 CB SER A 86 11.902 0.871 9.005 1.00 0.00 C ATOM 1251 OG SER A 86 11.575 0.427 10.320 1.00 0.00 O ATOM 0 H SER A 86 14.768 0.120 10.063 1.00 0.00 H new ATOM 0 HA SER A 86 13.597 1.345 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.345 1.780 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.590 0.119 8.280 1.00 0.00 H new ATOM 0 HG SER A 86 10.610 0.268 10.381 1.00 0.00 H new ATOM 1256 N GLY A 87 13.709 3.521 9.057 1.00 0.00 N ATOM 1257 CA GLY A 87 14.066 4.761 9.726 1.00 0.00 C ATOM 1258 C GLY A 87 14.910 5.653 8.812 1.00 0.00 C ATOM 1259 O GLY A 87 14.424 6.137 7.791 1.00 0.00 O ATOM 0 H GLY A 87 13.384 3.633 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.162 5.291 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.621 4.540 10.638 1.00 0.00 H new TER 1263 GLY A 87