USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1110 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 81 ASN : amide:sc= 0.489 K(o=0.76,f=-1.5) USER MOD Set 1.2: A 82 ASN : amide:sc= 0.135 X(o=0.76,f=0.5) USER MOD Set 1.3: A 98 ASN : amide:sc= 0.138 K(o=0.76,f=-2.3) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -106:sc= 1.39 (180deg=-0.421) USER MOD Set 2.2: B 732 TYR OH : rot -176:sc= 1.41 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN :FLIP amide:sc= 1.02 F(o=-0.6,f=1) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0334) USER MOD Single : A 9 HIS : no HD1:sc= 0.118 K(o=0.12,f=-0.72) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -140:sc= 1.17 (180deg=0.117) USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0351) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= 0.362 (180deg=0.308) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -0.0106 (180deg=-0.693) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0204 (180deg=-0.233) USER MOD Single : A 49 TYR OH : rot -49:sc= 0.804 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 8:sc= 0.111 USER MOD Single : A 59 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.14) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 77:sc= 1.11 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -179:sc= -0.249 (180deg=-0.262) USER MOD Single : A 93 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.065) USER MOD Single : A 95 TYR OH : rot 32:sc= 0.0477 USER MOD Single : A 99 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.054) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 179:sc= 0.0223 USER MOD Single : A 110 SER OG : rot -128:sc= 1.22 USER MOD Single : A 113 SER OG : rot 180:sc= 0.101 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0.0802 USER MOD Single : B 729 SER OG : rot 150:sc= -0.053 USER MOD Single : B 739 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -11.934 5.717 -11.503 1.00 0.00 N ATOM 2 CA GLY A -3 -12.976 6.745 -11.381 1.00 0.00 C ATOM 3 C GLY A -3 -12.383 8.131 -11.186 1.00 0.00 C ATOM 4 O GLY A -3 -12.208 8.846 -12.173 1.00 0.00 O ATOM 0 H1 GLY A -3 -12.379 4.786 -11.635 1.00 0.00 H new ATOM 0 H2 GLY A -3 -11.329 5.931 -12.322 1.00 0.00 H new ATOM 0 H3 GLY A -3 -11.355 5.705 -10.639 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -13.599 6.739 -12.276 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -13.625 6.506 -10.539 1.00 0.00 H new ATOM 8 N SER A -2 -12.065 8.520 -9.945 1.00 0.00 N ATOM 9 CA SER A -2 -11.507 9.837 -9.627 1.00 0.00 C ATOM 10 C SER A -2 -10.230 9.701 -8.774 1.00 0.00 C ATOM 11 O SER A -2 -10.337 9.531 -7.553 1.00 0.00 O ATOM 12 CB SER A -2 -12.584 10.697 -8.953 1.00 0.00 C ATOM 13 OG SER A -2 -13.685 10.896 -9.825 1.00 0.00 O ATOM 0 H SER A -2 -12.190 7.923 -9.127 1.00 0.00 H new ATOM 0 HA SER A -2 -11.206 10.342 -10.545 1.00 0.00 H new ATOM 0 HB2 SER A -2 -12.922 10.213 -8.037 1.00 0.00 H new ATOM 0 HB3 SER A -2 -12.161 11.660 -8.667 1.00 0.00 H new ATOM 0 HG SER A -2 -14.362 11.445 -9.377 1.00 0.00 H new ATOM 19 N PRO A -1 -9.028 9.739 -9.378 1.00 0.00 N ATOM 20 CA PRO A -1 -7.754 9.606 -8.677 1.00 0.00 C ATOM 21 C PRO A -1 -7.399 10.840 -7.837 1.00 0.00 C ATOM 22 O PRO A -1 -8.080 11.871 -7.865 1.00 0.00 O ATOM 23 CB PRO A -1 -6.718 9.386 -9.787 1.00 0.00 C ATOM 24 CG PRO A -1 -7.287 10.186 -10.943 1.00 0.00 C ATOM 25 CD PRO A -1 -8.786 9.936 -10.800 1.00 0.00 C ATOM 0 HA PRO A -1 -7.791 8.785 -7.961 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -5.731 9.744 -9.495 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -6.613 8.331 -10.039 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -7.041 11.245 -10.865 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -6.906 9.840 -11.904 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -9.360 10.781 -11.180 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -9.092 9.060 -11.372 1.00 0.00 H new ATOM 33 N GLU A 0 -6.300 10.729 -7.090 1.00 0.00 N ATOM 34 CA GLU A 0 -5.752 11.768 -6.235 1.00 0.00 C ATOM 35 C GLU A 0 -4.234 11.854 -6.423 1.00 0.00 C ATOM 36 O GLU A 0 -3.654 11.122 -7.234 1.00 0.00 O ATOM 37 CB GLU A 0 -6.183 11.570 -4.765 1.00 0.00 C ATOM 38 CG GLU A 0 -7.649 11.946 -4.494 1.00 0.00 C ATOM 39 CD GLU A 0 -8.012 13.378 -4.911 1.00 0.00 C ATOM 40 OE1 GLU A 0 -7.124 14.231 -5.128 1.00 0.00 O ATOM 41 OE2 GLU A 0 -9.220 13.675 -5.057 1.00 0.00 O ATOM 0 H GLU A 0 -5.747 9.872 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 0 -6.163 12.734 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -6.027 10.527 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 0 -5.539 12.170 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -8.297 11.248 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 0 -7.854 11.825 -3.430 1.00 0.00 H new ATOM 48 N PHE A 1 -3.624 12.822 -5.734 1.00 0.00 N ATOM 49 CA PHE A 1 -2.206 13.183 -5.695 1.00 0.00 C ATOM 50 C PHE A 1 -1.884 13.633 -4.253 1.00 0.00 C ATOM 51 O PHE A 1 -2.784 13.604 -3.415 1.00 0.00 O ATOM 52 CB PHE A 1 -1.941 14.296 -6.735 1.00 0.00 C ATOM 53 CG PHE A 1 -2.410 13.956 -8.145 1.00 0.00 C ATOM 54 CD1 PHE A 1 -1.548 13.299 -9.043 1.00 0.00 C ATOM 55 CD2 PHE A 1 -3.741 14.217 -8.533 1.00 0.00 C ATOM 56 CE1 PHE A 1 -2.024 12.860 -10.292 1.00 0.00 C ATOM 57 CE2 PHE A 1 -4.223 13.766 -9.773 1.00 0.00 C ATOM 58 CZ PHE A 1 -3.368 13.072 -10.646 1.00 0.00 C ATOM 0 H PHE A 1 -4.169 13.435 -5.127 1.00 0.00 H new ATOM 0 HA PHE A 1 -1.560 12.344 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -2.439 15.209 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -0.872 14.507 -6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -0.516 13.131 -8.772 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -4.394 14.767 -7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -1.357 12.360 -10.979 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -5.249 13.952 -10.055 1.00 0.00 H new ATOM 0 HZ PHE A 1 -3.743 12.702 -11.589 1.00 0.00 H new ATOM 68 N LYS A 2 -0.668 14.143 -3.987 1.00 0.00 N ATOM 69 CA LYS A 2 -0.168 14.613 -2.676 1.00 0.00 C ATOM 70 C LYS A 2 0.061 13.416 -1.742 1.00 0.00 C ATOM 71 O LYS A 2 -0.029 12.270 -2.183 1.00 0.00 O ATOM 72 CB LYS A 2 -1.106 15.662 -2.023 1.00 0.00 C ATOM 73 CG LYS A 2 -1.426 16.905 -2.865 1.00 0.00 C ATOM 74 CD LYS A 2 -0.183 17.773 -3.097 1.00 0.00 C ATOM 75 CE LYS A 2 -0.524 19.026 -3.904 1.00 0.00 C ATOM 76 NZ LYS A 2 -1.248 20.044 -3.111 1.00 0.00 N ATOM 0 H LYS A 2 0.034 14.245 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 2 0.783 15.118 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.045 15.170 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.654 15.990 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.838 16.597 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.193 17.496 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.246 18.061 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.575 17.193 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.396 19.463 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.131 18.744 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.452 20.870 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.141 19.641 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.661 20.338 -2.304 1.00 0.00 H new ATOM 90 N PHE A 3 0.474 13.652 -0.487 1.00 0.00 N ATOM 91 CA PHE A 3 0.660 12.550 0.462 1.00 0.00 C ATOM 92 C PHE A 3 -0.722 11.934 0.729 1.00 0.00 C ATOM 93 O PHE A 3 -1.760 12.526 0.402 1.00 0.00 O ATOM 94 CB PHE A 3 1.334 13.015 1.770 1.00 0.00 C ATOM 95 CG PHE A 3 2.785 13.444 1.615 1.00 0.00 C ATOM 96 CD1 PHE A 3 3.737 12.537 1.114 1.00 0.00 C ATOM 97 CD2 PHE A 3 3.205 14.725 2.022 1.00 0.00 C ATOM 98 CE1 PHE A 3 5.093 12.893 1.039 1.00 0.00 C ATOM 99 CE2 PHE A 3 4.562 15.087 1.941 1.00 0.00 C ATOM 100 CZ PHE A 3 5.509 14.168 1.458 1.00 0.00 C ATOM 0 H PHE A 3 0.681 14.578 -0.113 1.00 0.00 H new ATOM 0 HA PHE A 3 1.333 11.806 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.764 13.848 2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.284 12.205 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.422 11.558 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.482 15.433 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.816 12.187 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.876 16.073 2.251 1.00 0.00 H new ATOM 0 HZ PHE A 3 6.553 14.441 1.409 1.00 0.00 H new ATOM 110 N GLN A 4 -0.744 10.822 1.461 1.00 0.00 N ATOM 111 CA GLN A 4 -1.957 10.074 1.791 1.00 0.00 C ATOM 112 C GLN A 4 -3.052 10.912 2.456 1.00 0.00 C ATOM 113 O GLN A 4 -4.223 10.593 2.281 1.00 0.00 O ATOM 114 CB GLN A 4 -1.575 8.907 2.708 1.00 0.00 C ATOM 115 CG GLN A 4 -0.901 9.383 4.007 1.00 0.00 C ATOM 116 CD GLN A 4 -0.383 8.199 4.791 1.00 0.00 C ATOM 117 OE1 GLN A 4 -0.972 7.857 5.923 1.00 0.00 O flip ATOM 118 NE2 GLN A 4 0.605 7.610 4.372 1.00 0.00 N flip ATOM 0 H GLN A 4 0.101 10.405 1.851 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.381 9.727 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.469 8.333 2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.901 8.235 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.080 10.060 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.614 9.944 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.037 7.899 3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.997 6.831 4.901 1.00 0.00 H new ATOM 127 N TYR A 5 -2.709 12.017 3.128 1.00 0.00 N ATOM 128 CA TYR A 5 -3.668 12.899 3.786 1.00 0.00 C ATOM 129 C TYR A 5 -4.769 13.361 2.813 1.00 0.00 C ATOM 130 O TYR A 5 -5.918 13.548 3.221 1.00 0.00 O ATOM 131 CB TYR A 5 -2.909 14.081 4.401 1.00 0.00 C ATOM 132 CG TYR A 5 -3.742 14.967 5.307 1.00 0.00 C ATOM 133 CD1 TYR A 5 -3.943 14.610 6.655 1.00 0.00 C ATOM 134 CD2 TYR A 5 -4.285 16.170 4.815 1.00 0.00 C ATOM 135 CE1 TYR A 5 -4.672 15.455 7.511 1.00 0.00 C ATOM 136 CE2 TYR A 5 -5.005 17.021 5.670 1.00 0.00 C ATOM 137 CZ TYR A 5 -5.207 16.667 7.024 1.00 0.00 C ATOM 138 OH TYR A 5 -5.880 17.501 7.862 1.00 0.00 O ATOM 0 H TYR A 5 -1.742 12.324 3.229 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.178 12.355 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.063 13.695 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.500 14.691 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.536 13.684 7.033 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.148 16.439 3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.823 15.176 8.543 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.406 17.950 5.291 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.181 18.291 7.366 1.00 0.00 H new ATOM 148 N LYS A 6 -4.451 13.538 1.521 1.00 0.00 N ATOM 149 CA LYS A 6 -5.445 13.954 0.533 1.00 0.00 C ATOM 150 C LYS A 6 -6.480 12.843 0.326 1.00 0.00 C ATOM 151 O LYS A 6 -7.637 13.148 0.048 1.00 0.00 O ATOM 152 CB LYS A 6 -4.745 14.392 -0.764 1.00 0.00 C ATOM 153 CG LYS A 6 -5.733 14.768 -1.886 1.00 0.00 C ATOM 154 CD LYS A 6 -5.207 15.856 -2.835 1.00 0.00 C ATOM 155 CE LYS A 6 -5.308 17.260 -2.227 1.00 0.00 C ATOM 156 NZ LYS A 6 -6.698 17.759 -2.171 1.00 0.00 N ATOM 0 H LYS A 6 -3.514 13.399 1.142 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.996 14.822 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.102 15.247 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.099 13.586 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.967 13.875 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.665 15.110 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.167 15.645 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.771 15.825 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.890 17.246 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.702 17.950 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.697 18.757 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.136 17.672 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.241 17.199 -1.483 1.00 0.00 H new ATOM 170 N GLU A 7 -6.098 11.570 0.422 1.00 0.00 N ATOM 171 CA GLU A 7 -7.022 10.448 0.271 1.00 0.00 C ATOM 172 C GLU A 7 -7.683 10.115 1.615 1.00 0.00 C ATOM 173 O GLU A 7 -8.727 9.471 1.633 1.00 0.00 O ATOM 174 CB GLU A 7 -6.318 9.216 -0.300 1.00 0.00 C ATOM 175 CG GLU A 7 -5.939 9.384 -1.775 1.00 0.00 C ATOM 176 CD GLU A 7 -5.570 8.047 -2.425 1.00 0.00 C ATOM 177 OE1 GLU A 7 -6.429 7.132 -2.464 1.00 0.00 O ATOM 178 OE2 GLU A 7 -4.449 7.916 -2.966 1.00 0.00 O ATOM 0 H GLU A 7 -5.136 11.288 0.607 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.795 10.746 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.419 9.014 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.969 8.348 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.773 9.833 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.098 10.072 -1.858 1.00 0.00 H new ATOM 185 N ASP A 8 -7.113 10.587 2.725 1.00 0.00 N ATOM 186 CA ASP A 8 -7.616 10.398 4.087 1.00 0.00 C ATOM 187 C ASP A 8 -8.868 11.269 4.269 1.00 0.00 C ATOM 188 O ASP A 8 -9.819 10.878 4.928 1.00 0.00 O ATOM 189 CB ASP A 8 -6.510 10.810 5.068 1.00 0.00 C ATOM 190 CG ASP A 8 -6.672 10.250 6.480 1.00 0.00 C ATOM 191 OD1 ASP A 8 -7.364 10.892 7.302 1.00 0.00 O ATOM 192 OD2 ASP A 8 -5.956 9.272 6.798 1.00 0.00 O ATOM 0 H ASP A 8 -6.253 11.134 2.699 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.885 9.358 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.549 10.484 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.479 11.898 5.124 1.00 0.00 H new ATOM 197 N HIS A 9 -8.895 12.453 3.640 1.00 0.00 N ATOM 198 CA HIS A 9 -10.006 13.408 3.681 1.00 0.00 C ATOM 199 C HIS A 9 -11.351 12.778 3.247 1.00 0.00 C ATOM 200 O HIS A 9 -12.301 12.782 4.041 1.00 0.00 O ATOM 201 CB HIS A 9 -9.681 14.617 2.778 1.00 0.00 C ATOM 202 CG HIS A 9 -9.260 15.871 3.485 1.00 0.00 C ATOM 203 ND1 HIS A 9 -9.938 17.068 3.431 1.00 0.00 N ATOM 204 CD2 HIS A 9 -8.099 16.070 4.179 1.00 0.00 C ATOM 205 CE1 HIS A 9 -9.201 17.984 4.071 1.00 0.00 C ATOM 206 NE2 HIS A 9 -8.059 17.428 4.516 1.00 0.00 N ATOM 0 H HIS A 9 -8.116 12.781 3.070 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.121 13.727 4.717 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.887 14.328 2.089 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.561 14.841 2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.356 15.324 4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.482 19.018 4.210 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -7.305 17.907 5.008 1.00 0.00 H new ATOM 214 N PRO A 10 -11.489 12.238 2.016 1.00 0.00 N ATOM 215 CA PRO A 10 -12.720 11.634 1.520 1.00 0.00 C ATOM 216 C PRO A 10 -12.978 10.254 2.150 1.00 0.00 C ATOM 217 O PRO A 10 -13.006 9.241 1.446 1.00 0.00 O ATOM 218 CB PRO A 10 -12.529 11.581 -0.002 1.00 0.00 C ATOM 219 CG PRO A 10 -11.042 11.273 -0.126 1.00 0.00 C ATOM 220 CD PRO A 10 -10.481 12.175 0.965 1.00 0.00 C ATOM 0 HA PRO A 10 -13.608 12.207 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.145 10.809 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.791 12.526 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.820 10.221 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.648 11.520 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.543 11.777 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.268 13.170 0.573 1.00 0.00 H new ATOM 228 N PHE A 11 -13.254 10.228 3.456 1.00 0.00 N ATOM 229 CA PHE A 11 -13.535 9.029 4.236 1.00 0.00 C ATOM 230 C PHE A 11 -14.616 8.192 3.558 1.00 0.00 C ATOM 231 O PHE A 11 -14.485 6.979 3.474 1.00 0.00 O ATOM 232 CB PHE A 11 -13.975 9.415 5.660 1.00 0.00 C ATOM 233 CG PHE A 11 -12.901 9.209 6.703 1.00 0.00 C ATOM 234 CD1 PHE A 11 -11.897 10.171 6.900 1.00 0.00 C ATOM 235 CD2 PHE A 11 -12.865 8.011 7.437 1.00 0.00 C ATOM 236 CE1 PHE A 11 -10.860 9.939 7.820 1.00 0.00 C ATOM 237 CE2 PHE A 11 -11.833 7.779 8.357 1.00 0.00 C ATOM 238 CZ PHE A 11 -10.825 8.740 8.549 1.00 0.00 C ATOM 0 H PHE A 11 -13.288 11.078 4.018 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.625 8.433 4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.279 10.462 5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.851 8.827 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.922 11.095 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.634 7.267 7.292 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.091 10.683 7.966 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.812 6.858 8.921 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.028 8.557 9.254 1.00 0.00 H new ATOM 248 N GLU A 12 -15.667 8.820 3.019 1.00 0.00 N ATOM 249 CA GLU A 12 -16.736 8.083 2.353 1.00 0.00 C ATOM 250 C GLU A 12 -16.215 7.250 1.180 1.00 0.00 C ATOM 251 O GLU A 12 -16.778 6.202 0.886 1.00 0.00 O ATOM 252 CB GLU A 12 -17.855 9.031 1.898 1.00 0.00 C ATOM 253 CG GLU A 12 -17.441 10.021 0.796 1.00 0.00 C ATOM 254 CD GLU A 12 -18.476 11.128 0.595 1.00 0.00 C ATOM 255 OE1 GLU A 12 -19.593 10.823 0.111 1.00 0.00 O ATOM 256 OE2 GLU A 12 -18.159 12.315 0.874 1.00 0.00 O ATOM 0 H GLU A 12 -15.796 9.832 3.033 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.150 7.387 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.694 8.436 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.210 9.594 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.480 10.467 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.302 9.482 -0.141 1.00 0.00 H new ATOM 263 N TYR A 13 -15.209 7.733 0.450 1.00 0.00 N ATOM 264 CA TYR A 13 -14.637 7.012 -0.673 1.00 0.00 C ATOM 265 C TYR A 13 -13.674 5.953 -0.154 1.00 0.00 C ATOM 266 O TYR A 13 -13.766 4.816 -0.613 1.00 0.00 O ATOM 267 CB TYR A 13 -13.945 7.965 -1.654 1.00 0.00 C ATOM 268 CG TYR A 13 -14.892 8.706 -2.581 1.00 0.00 C ATOM 269 CD1 TYR A 13 -15.258 8.114 -3.804 1.00 0.00 C ATOM 270 CD2 TYR A 13 -15.392 9.982 -2.252 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.067 8.811 -4.719 1.00 0.00 C ATOM 272 CE2 TYR A 13 -16.204 10.684 -3.161 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.527 10.109 -4.412 1.00 0.00 C ATOM 274 OH TYR A 13 -17.275 10.783 -5.326 1.00 0.00 O ATOM 0 H TYR A 13 -14.771 8.637 0.626 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.439 6.521 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.367 8.694 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.237 7.396 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.915 7.118 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.150 10.423 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.337 8.352 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.581 11.663 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.516 11.662 -4.967 1.00 0.00 H new ATOM 284 N ARG A 14 -12.778 6.279 0.790 1.00 0.00 N ATOM 285 CA ARG A 14 -11.837 5.277 1.298 1.00 0.00 C ATOM 286 C ARG A 14 -12.596 4.125 1.950 1.00 0.00 C ATOM 287 O ARG A 14 -12.345 2.969 1.614 1.00 0.00 O ATOM 288 CB ARG A 14 -10.893 5.936 2.327 1.00 0.00 C ATOM 289 CG ARG A 14 -9.815 4.989 2.898 1.00 0.00 C ATOM 290 CD ARG A 14 -8.484 5.035 2.148 1.00 0.00 C ATOM 291 NE ARG A 14 -8.618 4.621 0.739 1.00 0.00 N ATOM 292 CZ ARG A 14 -7.934 5.158 -0.273 1.00 0.00 C ATOM 293 NH1 ARG A 14 -6.866 5.904 -0.041 1.00 0.00 N ATOM 294 NH2 ARG A 14 -8.313 4.987 -1.537 1.00 0.00 N ATOM 0 H ARG A 14 -12.687 7.206 1.207 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.250 4.882 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.400 6.787 1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.489 6.328 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.640 5.243 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.196 3.968 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.081 6.047 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.766 4.385 2.648 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.278 3.874 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.560 6.072 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.349 6.311 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.144 4.435 -1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.773 5.408 -2.293 1.00 0.00 H new ATOM 308 N LYS A 15 -13.623 4.424 2.743 1.00 0.00 N ATOM 309 CA LYS A 15 -14.420 3.421 3.422 1.00 0.00 C ATOM 310 C LYS A 15 -15.220 2.631 2.395 1.00 0.00 C ATOM 311 O LYS A 15 -15.186 1.404 2.427 1.00 0.00 O ATOM 312 CB LYS A 15 -15.297 4.118 4.483 1.00 0.00 C ATOM 313 CG LYS A 15 -15.845 3.223 5.606 1.00 0.00 C ATOM 314 CD LYS A 15 -16.658 2.013 5.121 1.00 0.00 C ATOM 315 CE LYS A 15 -17.491 1.356 6.219 1.00 0.00 C ATOM 316 NZ LYS A 15 -16.682 0.996 7.397 1.00 0.00 N ATOM 0 H LYS A 15 -13.923 5.381 2.930 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.793 2.701 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.713 4.919 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.141 4.586 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.010 2.865 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.473 3.827 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.320 2.330 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.977 1.273 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.288 2.035 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.969 0.460 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.989 0.071 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.679 0.946 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.806 1.716 8.137 1.00 0.00 H new ATOM 330 N LYS A 16 -15.945 3.270 1.468 1.00 0.00 N ATOM 331 CA LYS A 16 -16.734 2.512 0.490 1.00 0.00 C ATOM 332 C LYS A 16 -15.865 1.638 -0.414 1.00 0.00 C ATOM 333 O LYS A 16 -16.296 0.522 -0.732 1.00 0.00 O ATOM 334 CB LYS A 16 -17.683 3.441 -0.277 1.00 0.00 C ATOM 335 CG LYS A 16 -18.840 3.856 0.656 1.00 0.00 C ATOM 336 CD LYS A 16 -19.761 4.961 0.131 1.00 0.00 C ATOM 337 CE LYS A 16 -20.279 4.701 -1.285 1.00 0.00 C ATOM 338 NZ LYS A 16 -19.446 5.360 -2.311 1.00 0.00 N ATOM 0 H LYS A 16 -16.002 4.284 1.375 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.360 1.806 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.146 4.323 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.074 2.935 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.446 2.974 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.416 4.184 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.610 5.067 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.223 5.909 0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -20.301 3.627 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.305 5.059 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -19.514 4.833 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.781 6.334 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.455 5.378 -1.995 1.00 0.00 H new ATOM 352 N GLU A 17 -14.687 2.102 -0.835 1.00 0.00 N ATOM 353 CA GLU A 17 -13.790 1.317 -1.678 1.00 0.00 C ATOM 354 C GLU A 17 -13.298 0.113 -0.867 1.00 0.00 C ATOM 355 O GLU A 17 -13.387 -1.027 -1.328 1.00 0.00 O ATOM 356 CB GLU A 17 -12.575 2.155 -2.119 1.00 0.00 C ATOM 357 CG GLU A 17 -12.824 3.095 -3.306 1.00 0.00 C ATOM 358 CD GLU A 17 -11.572 3.904 -3.687 1.00 0.00 C ATOM 359 OE1 GLU A 17 -10.495 3.769 -3.054 1.00 0.00 O ATOM 360 OE2 GLU A 17 -11.632 4.671 -4.678 1.00 0.00 O ATOM 0 H GLU A 17 -14.331 3.029 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.328 0.995 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.237 2.750 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.761 1.477 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.151 2.511 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.635 3.780 -3.059 1.00 0.00 H new ATOM 367 N GLY A 18 -12.822 0.364 0.358 1.00 0.00 N ATOM 368 CA GLY A 18 -12.298 -0.639 1.268 1.00 0.00 C ATOM 369 C GLY A 18 -13.352 -1.672 1.601 1.00 0.00 C ATOM 370 O GLY A 18 -13.083 -2.862 1.526 1.00 0.00 O ATOM 0 H GLY A 18 -12.794 1.306 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.434 -1.128 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.952 -0.159 2.183 1.00 0.00 H new ATOM 374 N GLU A 19 -14.574 -1.255 1.922 1.00 0.00 N ATOM 375 CA GLU A 19 -15.663 -2.162 2.243 1.00 0.00 C ATOM 376 C GLU A 19 -15.964 -3.061 1.044 1.00 0.00 C ATOM 377 O GLU A 19 -16.181 -4.265 1.220 1.00 0.00 O ATOM 378 CB GLU A 19 -16.902 -1.370 2.682 1.00 0.00 C ATOM 379 CG GLU A 19 -18.090 -2.319 2.861 1.00 0.00 C ATOM 380 CD GLU A 19 -19.267 -1.660 3.562 1.00 0.00 C ATOM 381 OE1 GLU A 19 -20.093 -1.029 2.865 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.455 -1.916 4.773 1.00 0.00 O ATOM 0 H GLU A 19 -14.834 -0.270 1.966 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.368 -2.801 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.698 -0.848 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.141 -0.610 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.411 -2.681 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.771 -3.189 3.435 1.00 0.00 H new ATOM 389 N LYS A 20 -15.951 -2.511 -0.178 1.00 0.00 N ATOM 390 CA LYS A 20 -16.238 -3.333 -1.343 1.00 0.00 C ATOM 391 C LYS A 20 -15.106 -4.345 -1.511 1.00 0.00 C ATOM 392 O LYS A 20 -15.396 -5.532 -1.645 1.00 0.00 O ATOM 393 CB LYS A 20 -16.381 -2.446 -2.592 1.00 0.00 C ATOM 394 CG LYS A 20 -16.905 -3.200 -3.825 1.00 0.00 C ATOM 395 CD LYS A 20 -18.430 -3.350 -3.851 1.00 0.00 C ATOM 396 CE LYS A 20 -18.848 -4.018 -5.168 1.00 0.00 C ATOM 397 NZ LYS A 20 -20.309 -3.992 -5.384 1.00 0.00 N ATOM 0 H LYS A 20 -15.751 -1.530 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.179 -3.866 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.057 -1.621 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.412 -2.008 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.585 -2.675 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.450 -4.190 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.763 -3.949 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.905 -2.374 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.353 -3.514 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.503 -5.052 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.521 -4.283 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.770 -4.646 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.666 -3.028 -5.225 1.00 0.00 H new ATOM 411 N ILE A 21 -13.839 -3.926 -1.427 1.00 0.00 N ATOM 412 CA ILE A 21 -12.709 -4.840 -1.587 1.00 0.00 C ATOM 413 C ILE A 21 -12.643 -5.848 -0.433 1.00 0.00 C ATOM 414 O ILE A 21 -12.318 -7.004 -0.679 1.00 0.00 O ATOM 415 CB ILE A 21 -11.409 -4.000 -1.699 1.00 0.00 C ATOM 416 CG1 ILE A 21 -11.349 -3.204 -3.027 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.116 -4.814 -1.509 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.215 -4.044 -4.307 1.00 0.00 C ATOM 0 H ILE A 21 -13.573 -2.958 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.833 -5.427 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.460 -3.299 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.252 -2.598 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.506 -2.515 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.254 -4.154 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.117 -5.273 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.061 -5.592 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.183 -3.384 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.297 -4.630 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.070 -4.714 -4.393 1.00 0.00 H new ATOM 430 N ARG A 22 -13.093 -5.494 0.771 1.00 0.00 N ATOM 431 CA ARG A 22 -13.083 -6.353 1.950 1.00 0.00 C ATOM 432 C ARG A 22 -14.104 -7.459 1.786 1.00 0.00 C ATOM 433 O ARG A 22 -13.795 -8.634 1.970 1.00 0.00 O ATOM 434 CB ARG A 22 -13.380 -5.479 3.184 1.00 0.00 C ATOM 435 CG ARG A 22 -13.541 -6.218 4.516 1.00 0.00 C ATOM 436 CD ARG A 22 -12.329 -7.101 4.811 1.00 0.00 C ATOM 437 NE ARG A 22 -12.202 -7.412 6.238 1.00 0.00 N ATOM 438 CZ ARG A 22 -11.220 -8.131 6.797 1.00 0.00 C ATOM 439 NH1 ARG A 22 -10.323 -8.752 6.037 1.00 0.00 N ATOM 440 NH2 ARG A 22 -11.138 -8.193 8.118 1.00 0.00 N ATOM 0 H ARG A 22 -13.487 -4.571 0.956 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.110 -6.827 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.574 -4.753 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.293 -4.916 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.672 -5.496 5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.442 -6.831 4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.412 -8.029 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.424 -6.599 4.469 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.925 -7.049 6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.380 -8.683 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.578 -9.298 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.817 -7.697 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.396 -8.737 8.558 1.00 0.00 H new ATOM 454 N LYS A 23 -15.341 -7.092 1.448 1.00 0.00 N ATOM 455 CA LYS A 23 -16.398 -8.074 1.268 1.00 0.00 C ATOM 456 C LYS A 23 -16.106 -8.949 0.052 1.00 0.00 C ATOM 457 O LYS A 23 -16.302 -10.160 0.136 1.00 0.00 O ATOM 458 CB LYS A 23 -17.760 -7.376 1.133 1.00 0.00 C ATOM 459 CG LYS A 23 -18.249 -6.779 2.464 1.00 0.00 C ATOM 460 CD LYS A 23 -19.600 -6.076 2.268 1.00 0.00 C ATOM 461 CE LYS A 23 -20.368 -5.893 3.583 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.760 -4.902 4.493 1.00 0.00 N ATOM 0 H LYS A 23 -15.629 -6.126 1.295 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.435 -8.717 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.687 -6.584 0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.497 -8.091 0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.347 -7.568 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.514 -6.070 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.434 -5.101 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.209 -6.655 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.389 -5.587 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.429 -6.854 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.937 -5.181 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.735 -4.859 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.179 -3.967 4.318 1.00 0.00 H new ATOM 476 N LYS A 24 -15.647 -8.362 -1.060 1.00 0.00 N ATOM 477 CA LYS A 24 -15.342 -9.079 -2.298 1.00 0.00 C ATOM 478 C LYS A 24 -14.151 -10.022 -2.139 1.00 0.00 C ATOM 479 O LYS A 24 -14.253 -11.190 -2.515 1.00 0.00 O ATOM 480 CB LYS A 24 -15.046 -8.040 -3.400 1.00 0.00 C ATOM 481 CG LYS A 24 -15.015 -8.574 -4.843 1.00 0.00 C ATOM 482 CD LYS A 24 -16.376 -9.013 -5.410 1.00 0.00 C ATOM 483 CE LYS A 24 -17.459 -7.947 -5.221 1.00 0.00 C ATOM 484 NZ LYS A 24 -18.742 -8.299 -5.860 1.00 0.00 N ATOM 0 H LYS A 24 -15.475 -7.359 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.202 -9.694 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.799 -7.254 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.083 -7.576 -3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.602 -7.800 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.332 -9.422 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.270 -9.235 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.689 -9.936 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.623 -7.790 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.104 -7.002 -5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.432 -7.538 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.598 -8.421 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.101 -9.186 -5.452 1.00 0.00 H new ATOM 498 N TYR A 25 -13.066 -9.559 -1.517 1.00 0.00 N ATOM 499 CA TYR A 25 -11.835 -10.308 -1.324 1.00 0.00 C ATOM 500 C TYR A 25 -11.398 -10.340 0.154 1.00 0.00 C ATOM 501 O TYR A 25 -10.499 -9.596 0.550 1.00 0.00 O ATOM 502 CB TYR A 25 -10.749 -9.689 -2.221 1.00 0.00 C ATOM 503 CG TYR A 25 -11.097 -9.504 -3.691 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.423 -10.618 -4.486 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.040 -8.223 -4.279 1.00 0.00 C ATOM 506 CE1 TYR A 25 -11.685 -10.457 -5.857 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.286 -8.055 -5.655 1.00 0.00 C ATOM 508 CZ TYR A 25 -11.604 -9.179 -6.450 1.00 0.00 C ATOM 509 OH TYR A 25 -11.859 -9.038 -7.778 1.00 0.00 O ATOM 0 H TYR A 25 -13.024 -8.619 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.000 -11.348 -1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.483 -8.715 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.859 -10.315 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.472 -11.601 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.806 -7.364 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.949 -11.314 -6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.232 -7.073 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.762 -8.096 -8.032 1.00 0.00 H new ATOM 519 N PRO A 26 -11.959 -11.235 0.986 1.00 0.00 N ATOM 520 CA PRO A 26 -11.611 -11.353 2.404 1.00 0.00 C ATOM 521 C PRO A 26 -10.209 -11.953 2.634 1.00 0.00 C ATOM 522 O PRO A 26 -9.814 -12.187 3.777 1.00 0.00 O ATOM 523 CB PRO A 26 -12.732 -12.200 3.018 1.00 0.00 C ATOM 524 CG PRO A 26 -13.179 -13.088 1.859 1.00 0.00 C ATOM 525 CD PRO A 26 -13.012 -12.174 0.646 1.00 0.00 C ATOM 0 HA PRO A 26 -11.543 -10.375 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.374 -12.790 3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.549 -11.579 3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.565 -13.985 1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.211 -13.418 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.748 -12.750 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.942 -11.651 0.422 1.00 0.00 H new ATOM 533 N ASP A 27 -9.445 -12.218 1.571 1.00 0.00 N ATOM 534 CA ASP A 27 -8.087 -12.770 1.578 1.00 0.00 C ATOM 535 C ASP A 27 -7.088 -11.790 0.932 1.00 0.00 C ATOM 536 O ASP A 27 -5.946 -12.163 0.639 1.00 0.00 O ATOM 537 CB ASP A 27 -8.063 -14.189 0.971 1.00 0.00 C ATOM 538 CG ASP A 27 -8.405 -14.290 -0.520 1.00 0.00 C ATOM 539 OD1 ASP A 27 -8.054 -13.402 -1.322 1.00 0.00 O ATOM 540 OD2 ASP A 27 -9.052 -15.278 -0.935 1.00 0.00 O ATOM 0 H ASP A 27 -9.779 -12.042 0.623 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.755 -12.887 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.070 -14.611 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.764 -14.812 1.527 1.00 0.00 H new ATOM 545 N ARG A 28 -7.502 -10.536 0.681 1.00 0.00 N ATOM 546 CA ARG A 28 -6.662 -9.491 0.084 1.00 0.00 C ATOM 547 C ARG A 28 -6.724 -8.202 0.894 1.00 0.00 C ATOM 548 O ARG A 28 -7.696 -7.958 1.608 1.00 0.00 O ATOM 549 CB ARG A 28 -7.053 -9.188 -1.362 1.00 0.00 C ATOM 550 CG ARG A 28 -7.106 -10.415 -2.267 1.00 0.00 C ATOM 551 CD ARG A 28 -7.394 -10.024 -3.720 1.00 0.00 C ATOM 552 NE ARG A 28 -7.874 -11.174 -4.492 1.00 0.00 N ATOM 553 CZ ARG A 28 -8.112 -11.218 -5.803 1.00 0.00 C ATOM 554 NH1 ARG A 28 -8.001 -10.131 -6.561 1.00 0.00 N ATOM 555 NH2 ARG A 28 -8.469 -12.368 -6.352 1.00 0.00 N ATOM 0 H ARG A 28 -8.448 -10.218 0.892 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.644 -9.880 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.029 -8.704 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.341 -8.475 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.158 -10.950 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.878 -11.098 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.139 -9.229 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.489 -9.627 -4.179 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.044 -12.033 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.729 -9.242 -6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.188 -10.186 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.558 -13.203 -5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.655 -12.419 -7.354 1.00 0.00 H new ATOM 569 N VAL A 29 -5.726 -7.339 0.701 1.00 0.00 N ATOM 570 CA VAL A 29 -5.584 -6.068 1.392 1.00 0.00 C ATOM 571 C VAL A 29 -5.179 -4.969 0.390 1.00 0.00 C ATOM 572 O VAL A 29 -4.173 -5.133 -0.309 1.00 0.00 O ATOM 573 CB VAL A 29 -4.523 -6.219 2.512 1.00 0.00 C ATOM 574 CG1 VAL A 29 -4.632 -5.060 3.507 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.618 -7.554 3.276 1.00 0.00 C ATOM 0 H VAL A 29 -4.973 -7.516 0.037 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.534 -5.779 1.842 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.555 -6.205 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.881 -5.179 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.468 -4.117 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.625 -5.058 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.845 -7.590 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.599 -7.636 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.477 -8.382 2.581 1.00 0.00 H new ATOM 585 N PRO A 30 -5.952 -3.875 0.245 1.00 0.00 N ATOM 586 CA PRO A 30 -5.619 -2.771 -0.649 1.00 0.00 C ATOM 587 C PRO A 30 -4.567 -1.893 0.058 1.00 0.00 C ATOM 588 O PRO A 30 -4.765 -1.487 1.216 1.00 0.00 O ATOM 589 CB PRO A 30 -6.943 -2.051 -0.889 1.00 0.00 C ATOM 590 CG PRO A 30 -7.705 -2.243 0.423 1.00 0.00 C ATOM 591 CD PRO A 30 -7.173 -3.568 0.977 1.00 0.00 C ATOM 0 HA PRO A 30 -5.187 -3.068 -1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.790 -0.995 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.484 -2.479 -1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.521 -1.420 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.781 -2.285 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.972 -3.487 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.909 -4.362 0.850 1.00 0.00 H new ATOM 599 N VAL A 31 -3.461 -1.588 -0.635 1.00 0.00 N ATOM 600 CA VAL A 31 -2.374 -0.803 -0.079 1.00 0.00 C ATOM 601 C VAL A 31 -2.020 0.433 -0.916 1.00 0.00 C ATOM 602 O VAL A 31 -1.791 0.342 -2.128 1.00 0.00 O ATOM 603 CB VAL A 31 -1.160 -1.735 0.136 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.024 -1.017 0.874 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.510 -3.001 0.938 1.00 0.00 C ATOM 0 H VAL A 31 -3.304 -1.884 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.698 -0.393 0.878 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.844 -2.024 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.813 -1.702 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.302 -0.156 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.378 -0.682 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.617 -3.615 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.887 -2.717 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.274 -3.569 0.406 1.00 0.00 H new ATOM 615 N ILE A 32 -1.924 1.593 -0.256 1.00 0.00 N ATOM 616 CA ILE A 32 -1.557 2.867 -0.880 1.00 0.00 C ATOM 617 C ILE A 32 -0.057 3.018 -0.621 1.00 0.00 C ATOM 618 O ILE A 32 0.395 2.833 0.513 1.00 0.00 O ATOM 619 CB ILE A 32 -2.333 4.080 -0.309 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.865 3.883 -0.255 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.038 5.330 -1.163 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.347 3.485 1.143 1.00 0.00 C ATOM 0 H ILE A 32 -2.103 1.673 0.745 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.809 2.853 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.987 4.196 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.359 4.806 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.156 3.114 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.584 6.183 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.969 5.541 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.352 5.151 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.429 3.358 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.874 2.548 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.081 4.266 1.856 1.00 0.00 H new ATOM 634 N VAL A 33 0.724 3.351 -1.649 1.00 0.00 N ATOM 635 CA VAL A 33 2.169 3.513 -1.550 1.00 0.00 C ATOM 636 C VAL A 33 2.540 4.973 -1.738 1.00 0.00 C ATOM 637 O VAL A 33 2.132 5.608 -2.713 1.00 0.00 O ATOM 638 CB VAL A 33 2.850 2.638 -2.614 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.371 2.850 -2.681 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.579 1.158 -2.330 1.00 0.00 C ATOM 0 H VAL A 33 0.361 3.518 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 33 2.508 3.199 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 33 2.426 2.936 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.795 2.205 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.583 3.891 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.815 2.604 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.066 0.547 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.973 0.898 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.505 0.974 -2.350 1.00 0.00 H new ATOM 650 N GLU A 34 3.351 5.490 -0.817 1.00 0.00 N ATOM 651 CA GLU A 34 3.830 6.855 -0.839 1.00 0.00 C ATOM 652 C GLU A 34 5.334 6.858 -0.538 1.00 0.00 C ATOM 653 O GLU A 34 5.892 5.934 0.063 1.00 0.00 O ATOM 654 CB GLU A 34 3.001 7.721 0.127 1.00 0.00 C ATOM 655 CG GLU A 34 1.495 7.824 -0.223 1.00 0.00 C ATOM 656 CD GLU A 34 1.193 8.488 -1.575 1.00 0.00 C ATOM 657 OE1 GLU A 34 2.127 9.013 -2.233 1.00 0.00 O ATOM 658 OE2 GLU A 34 0.019 8.512 -2.013 1.00 0.00 O ATOM 0 H GLU A 34 3.696 4.953 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 34 3.699 7.301 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.099 7.313 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.425 8.725 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.067 6.822 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.991 8.386 0.563 1.00 0.00 H new ATOM 665 N LYS A 35 6.010 7.885 -1.040 1.00 0.00 N ATOM 666 CA LYS A 35 7.444 8.098 -0.890 1.00 0.00 C ATOM 667 C LYS A 35 7.681 8.951 0.350 1.00 0.00 C ATOM 668 O LYS A 35 6.894 9.864 0.617 1.00 0.00 O ATOM 669 CB LYS A 35 8.030 8.701 -2.180 1.00 0.00 C ATOM 670 CG LYS A 35 7.514 10.112 -2.535 1.00 0.00 C ATOM 671 CD LYS A 35 8.429 11.240 -2.032 1.00 0.00 C ATOM 672 CE LYS A 35 9.685 11.378 -2.900 1.00 0.00 C ATOM 673 NZ LYS A 35 9.422 12.066 -4.184 1.00 0.00 N ATOM 0 H LYS A 35 5.557 8.620 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 35 7.969 7.154 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.115 8.741 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.808 8.030 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.412 10.192 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.519 10.245 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.880 12.182 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.719 11.041 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.445 11.930 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.093 10.387 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.305 12.132 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.718 11.528 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.059 13.022 -3.997 1.00 0.00 H new ATOM 687 N ALA A 36 8.720 8.659 1.122 1.00 0.00 N ATOM 688 CA ALA A 36 9.025 9.438 2.318 1.00 0.00 C ATOM 689 C ALA A 36 9.961 10.582 1.902 1.00 0.00 C ATOM 690 O ALA A 36 10.592 10.508 0.839 1.00 0.00 O ATOM 691 CB ALA A 36 9.733 8.527 3.326 1.00 0.00 C ATOM 0 H ALA A 36 9.366 7.890 0.943 1.00 0.00 H new ATOM 0 HA ALA A 36 8.119 9.840 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.968 9.094 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.081 7.692 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.655 8.145 2.887 1.00 0.00 H new ATOM 697 N PRO A 37 10.038 11.658 2.702 1.00 0.00 N ATOM 698 CA PRO A 37 10.905 12.782 2.398 1.00 0.00 C ATOM 699 C PRO A 37 12.364 12.314 2.430 1.00 0.00 C ATOM 700 O PRO A 37 12.692 11.293 3.034 1.00 0.00 O ATOM 701 CB PRO A 37 10.564 13.868 3.423 1.00 0.00 C ATOM 702 CG PRO A 37 9.875 13.128 4.571 1.00 0.00 C ATOM 703 CD PRO A 37 9.338 11.846 3.960 1.00 0.00 C ATOM 0 HA PRO A 37 10.758 13.194 1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.462 14.381 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.909 14.625 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.576 12.915 5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.070 13.727 4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.506 11.000 4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.262 11.916 3.798 1.00 0.00 H new ATOM 711 N LYS A 38 13.251 13.086 1.799 1.00 0.00 N ATOM 712 CA LYS A 38 14.696 12.839 1.668 1.00 0.00 C ATOM 713 C LYS A 38 15.016 11.667 0.737 1.00 0.00 C ATOM 714 O LYS A 38 16.182 11.518 0.381 1.00 0.00 O ATOM 715 CB LYS A 38 15.415 12.570 3.006 1.00 0.00 C ATOM 716 CG LYS A 38 15.112 13.502 4.184 1.00 0.00 C ATOM 717 CD LYS A 38 15.517 14.953 3.919 1.00 0.00 C ATOM 718 CE LYS A 38 15.576 15.657 5.275 1.00 0.00 C ATOM 719 NZ LYS A 38 15.841 17.098 5.145 1.00 0.00 N ATOM 0 H LYS A 38 12.968 13.951 1.338 1.00 0.00 H new ATOM 0 HA LYS A 38 15.067 13.773 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.176 11.552 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.489 12.603 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.045 13.463 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.635 13.141 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.485 14.998 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.796 15.441 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.632 15.509 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.355 15.200 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.872 17.532 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.754 17.241 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.085 17.541 4.585 1.00 0.00 H new ATOM 733 N ALA A 39 14.050 10.859 0.299 1.00 0.00 N ATOM 734 CA ALA A 39 14.319 9.729 -0.576 1.00 0.00 C ATOM 735 C ALA A 39 14.866 10.154 -1.946 1.00 0.00 C ATOM 736 O ALA A 39 14.684 11.283 -2.412 1.00 0.00 O ATOM 737 CB ALA A 39 13.025 8.924 -0.766 1.00 0.00 C ATOM 0 H ALA A 39 13.066 10.972 0.542 1.00 0.00 H new ATOM 0 HA ALA A 39 15.089 9.121 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.218 8.074 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.675 8.564 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.262 9.561 -1.213 1.00 0.00 H new ATOM 743 N ARG A 40 15.469 9.193 -2.644 1.00 0.00 N ATOM 744 CA ARG A 40 16.042 9.295 -3.980 1.00 0.00 C ATOM 745 C ARG A 40 15.615 7.998 -4.650 1.00 0.00 C ATOM 746 O ARG A 40 16.396 7.060 -4.755 1.00 0.00 O ATOM 747 CB ARG A 40 17.574 9.492 -3.921 1.00 0.00 C ATOM 748 CG ARG A 40 18.284 9.511 -5.291 1.00 0.00 C ATOM 749 CD ARG A 40 17.557 10.410 -6.298 1.00 0.00 C ATOM 750 NE ARG A 40 18.333 10.759 -7.505 1.00 0.00 N ATOM 751 CZ ARG A 40 19.328 11.651 -7.614 1.00 0.00 C ATOM 752 NH1 ARG A 40 19.923 12.158 -6.542 1.00 0.00 N ATOM 753 NH2 ARG A 40 19.728 12.006 -8.822 1.00 0.00 N ATOM 0 H ARG A 40 15.576 8.254 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 40 15.696 10.163 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 40 17.785 10.430 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.005 8.693 -3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.308 9.862 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 40 18.341 8.496 -5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.638 9.912 -6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.266 11.332 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 40 18.082 10.261 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 40 19.626 11.870 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.678 12.835 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.282 11.603 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.483 12.683 -8.931 1.00 0.00 H new ATOM 767 N VAL A 41 14.346 7.910 -5.037 1.00 0.00 N ATOM 768 CA VAL A 41 13.782 6.726 -5.671 1.00 0.00 C ATOM 769 C VAL A 41 12.961 7.122 -6.897 1.00 0.00 C ATOM 770 O VAL A 41 12.411 8.228 -6.921 1.00 0.00 O ATOM 771 CB VAL A 41 12.927 5.936 -4.651 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.784 5.303 -3.554 1.00 0.00 C ATOM 773 CG2 VAL A 41 11.842 6.778 -3.957 1.00 0.00 C ATOM 0 H VAL A 41 13.674 8.668 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 41 14.592 6.079 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 41 12.442 5.170 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.143 4.759 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.500 4.615 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.321 6.084 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.287 6.152 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.310 7.600 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.159 7.180 -4.705 1.00 0.00 H new ATOM 783 N PRO A 42 12.876 6.258 -7.922 1.00 0.00 N ATOM 784 CA PRO A 42 12.103 6.555 -9.107 1.00 0.00 C ATOM 785 C PRO A 42 10.626 6.400 -8.773 1.00 0.00 C ATOM 786 O PRO A 42 10.242 5.679 -7.843 1.00 0.00 O ATOM 787 CB PRO A 42 12.567 5.553 -10.164 1.00 0.00 C ATOM 788 CG PRO A 42 12.995 4.335 -9.348 1.00 0.00 C ATOM 789 CD PRO A 42 13.466 4.931 -8.016 1.00 0.00 C ATOM 0 HA PRO A 42 12.242 7.572 -9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.766 5.306 -10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.393 5.949 -10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.168 3.640 -9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.794 3.783 -9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.151 4.307 -7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.554 4.987 -7.980 1.00 0.00 H new ATOM 797 N ASP A 43 9.803 7.076 -9.562 1.00 0.00 N ATOM 798 CA ASP A 43 8.365 7.054 -9.409 1.00 0.00 C ATOM 799 C ASP A 43 7.760 6.090 -10.431 1.00 0.00 C ATOM 800 O ASP A 43 8.317 5.911 -11.521 1.00 0.00 O ATOM 801 CB ASP A 43 7.847 8.479 -9.561 1.00 0.00 C ATOM 802 CG ASP A 43 6.341 8.487 -9.438 1.00 0.00 C ATOM 803 OD1 ASP A 43 5.844 8.151 -8.337 1.00 0.00 O ATOM 804 OD2 ASP A 43 5.693 8.803 -10.458 1.00 0.00 O ATOM 0 H ASP A 43 10.124 7.660 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 43 8.073 6.693 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.288 9.120 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.145 8.884 -10.528 1.00 0.00 H new ATOM 809 N LEU A 44 6.602 5.498 -10.126 1.00 0.00 N ATOM 810 CA LEU A 44 5.929 4.535 -10.996 1.00 0.00 C ATOM 811 C LEU A 44 4.547 5.032 -11.428 1.00 0.00 C ATOM 812 O LEU A 44 3.899 5.812 -10.729 1.00 0.00 O ATOM 813 CB LEU A 44 5.820 3.184 -10.255 1.00 0.00 C ATOM 814 CG LEU A 44 7.155 2.594 -9.740 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.892 1.359 -8.872 1.00 0.00 C ATOM 816 CD2 LEU A 44 8.116 2.202 -10.869 1.00 0.00 C ATOM 0 H LEU A 44 6.101 5.678 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 44 6.517 4.410 -11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.147 3.309 -9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.357 2.459 -10.925 1.00 0.00 H new ATOM 0 HG LEU A 44 7.628 3.384 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.840 0.955 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.275 1.639 -8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.374 0.603 -9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.033 1.795 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.646 1.450 -11.502 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.354 3.082 -11.467 1.00 0.00 H new ATOM 828 N ASP A 45 4.054 4.525 -12.559 1.00 0.00 N ATOM 829 CA ASP A 45 2.743 4.847 -13.148 1.00 0.00 C ATOM 830 C ASP A 45 1.570 4.247 -12.352 1.00 0.00 C ATOM 831 O ASP A 45 0.412 4.322 -12.772 1.00 0.00 O ATOM 832 CB ASP A 45 2.676 4.397 -14.619 1.00 0.00 C ATOM 833 CG ASP A 45 2.874 2.896 -14.806 1.00 0.00 C ATOM 834 OD1 ASP A 45 4.038 2.452 -14.656 1.00 0.00 O ATOM 835 OD2 ASP A 45 1.928 2.165 -15.162 1.00 0.00 O ATOM 0 H ASP A 45 4.576 3.849 -13.117 1.00 0.00 H new ATOM 0 HA ASP A 45 2.641 5.931 -13.102 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.709 4.682 -15.034 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.438 4.930 -15.189 1.00 0.00 H new ATOM 840 N LYS A 46 1.857 3.622 -11.207 1.00 0.00 N ATOM 841 CA LYS A 46 0.907 2.998 -10.305 1.00 0.00 C ATOM 842 C LYS A 46 1.371 3.247 -8.880 1.00 0.00 C ATOM 843 O LYS A 46 2.537 3.000 -8.562 1.00 0.00 O ATOM 844 CB LYS A 46 0.743 1.494 -10.580 1.00 0.00 C ATOM 845 CG LYS A 46 2.023 0.651 -10.771 1.00 0.00 C ATOM 846 CD LYS A 46 2.651 0.849 -12.161 1.00 0.00 C ATOM 847 CE LYS A 46 3.239 -0.420 -12.779 1.00 0.00 C ATOM 848 NZ LYS A 46 2.173 -1.399 -13.065 1.00 0.00 N ATOM 0 H LYS A 46 2.817 3.537 -10.873 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.076 3.441 -10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.178 1.062 -9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.132 1.382 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.750 0.920 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.785 -0.403 -10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.893 1.248 -12.835 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.438 1.600 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.769 -0.172 -13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.970 -0.858 -12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.512 -2.085 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.917 -1.899 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.338 -0.904 -13.438 1.00 0.00 H new ATOM 862 N ARG A 47 0.448 3.708 -8.040 1.00 0.00 N ATOM 863 CA ARG A 47 0.669 4.020 -6.630 1.00 0.00 C ATOM 864 C ARG A 47 -0.291 3.255 -5.716 1.00 0.00 C ATOM 865 O ARG A 47 -0.068 3.212 -4.506 1.00 0.00 O ATOM 866 CB ARG A 47 0.605 5.541 -6.421 1.00 0.00 C ATOM 867 CG ARG A 47 -0.798 6.117 -6.665 1.00 0.00 C ATOM 868 CD ARG A 47 -0.787 7.639 -6.760 1.00 0.00 C ATOM 869 NE ARG A 47 -0.162 8.133 -7.999 1.00 0.00 N ATOM 870 CZ ARG A 47 -0.311 9.366 -8.490 1.00 0.00 C ATOM 871 NH1 ARG A 47 -1.068 10.266 -7.867 1.00 0.00 N ATOM 872 NH2 ARG A 47 0.318 9.678 -9.615 1.00 0.00 N ATOM 0 H ARG A 47 -0.513 3.881 -8.334 1.00 0.00 H new ATOM 0 HA ARG A 47 1.667 3.684 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.918 5.777 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.314 6.026 -7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.205 5.700 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.461 5.810 -5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.811 8.009 -6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.253 8.047 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 47 0.428 7.485 -8.521 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.545 10.019 -7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.171 11.203 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.899 8.983 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.221 10.613 -10.011 1.00 0.00 H new ATOM 886 N LYS A 48 -1.345 2.637 -6.264 1.00 0.00 N ATOM 887 CA LYS A 48 -2.318 1.867 -5.497 1.00 0.00 C ATOM 888 C LYS A 48 -2.135 0.418 -5.909 1.00 0.00 C ATOM 889 O LYS A 48 -2.283 0.054 -7.083 1.00 0.00 O ATOM 890 CB LYS A 48 -3.733 2.391 -5.743 1.00 0.00 C ATOM 891 CG LYS A 48 -3.840 3.869 -5.344 1.00 0.00 C ATOM 892 CD LYS A 48 -5.279 4.337 -5.485 1.00 0.00 C ATOM 893 CE LYS A 48 -5.422 5.777 -5.024 1.00 0.00 C ATOM 894 NZ LYS A 48 -6.832 6.205 -4.996 1.00 0.00 N ATOM 0 H LYS A 48 -1.544 2.661 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.163 1.962 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.992 2.273 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.449 1.802 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.503 4.003 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.188 4.474 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.595 4.249 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.935 3.695 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.990 5.885 -4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.857 6.430 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.017 6.843 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.449 5.371 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.026 6.703 -4.104 1.00 0.00 H new ATOM 908 N TYR A 49 -1.876 -0.402 -4.906 1.00 0.00 N ATOM 909 CA TYR A 49 -1.601 -1.816 -5.001 1.00 0.00 C ATOM 910 C TYR A 49 -2.634 -2.594 -4.193 1.00 0.00 C ATOM 911 O TYR A 49 -3.356 -2.029 -3.372 1.00 0.00 O ATOM 912 CB TYR A 49 -0.180 -1.986 -4.443 1.00 0.00 C ATOM 913 CG TYR A 49 0.916 -1.280 -5.253 1.00 0.00 C ATOM 914 CD1 TYR A 49 1.153 0.100 -5.090 1.00 0.00 C ATOM 915 CD2 TYR A 49 1.710 -1.984 -6.177 1.00 0.00 C ATOM 916 CE1 TYR A 49 2.144 0.759 -5.844 1.00 0.00 C ATOM 917 CE2 TYR A 49 2.683 -1.336 -6.954 1.00 0.00 C ATOM 918 CZ TYR A 49 2.898 0.048 -6.799 1.00 0.00 C ATOM 919 OH TYR A 49 3.864 0.663 -7.532 1.00 0.00 O ATOM 0 H TYR A 49 -1.852 -0.071 -3.942 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.662 -2.197 -6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.158 -1.608 -3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.052 -3.050 -4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.566 0.660 -4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.567 -3.048 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.326 1.812 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.266 -1.897 -7.669 1.00 0.00 H new ATOM 0 HH TYR A 49 3.506 1.490 -7.917 1.00 0.00 H new ATOM 929 N LEU A 50 -2.742 -3.892 -4.437 1.00 0.00 N ATOM 930 CA LEU A 50 -3.646 -4.813 -3.773 1.00 0.00 C ATOM 931 C LEU A 50 -2.879 -6.128 -3.677 1.00 0.00 C ATOM 932 O LEU A 50 -2.460 -6.641 -4.714 1.00 0.00 O ATOM 933 CB LEU A 50 -4.944 -4.859 -4.588 1.00 0.00 C ATOM 934 CG LEU A 50 -6.140 -5.330 -3.755 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.419 -4.654 -4.250 1.00 0.00 C ATOM 936 CD2 LEU A 50 -6.323 -6.839 -3.843 1.00 0.00 C ATOM 0 H LEU A 50 -2.169 -4.354 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.950 -4.533 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.153 -3.868 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.812 -5.527 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.943 -5.059 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.265 -4.994 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.319 -3.573 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.586 -4.913 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.180 -7.137 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.492 -7.125 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.427 -7.336 -3.471 1.00 0.00 H new ATOM 948 N VAL A 51 -2.667 -6.664 -2.476 1.00 0.00 N ATOM 949 CA VAL A 51 -1.900 -7.899 -2.274 1.00 0.00 C ATOM 950 C VAL A 51 -2.631 -8.904 -1.372 1.00 0.00 C ATOM 951 O VAL A 51 -3.493 -8.486 -0.594 1.00 0.00 O ATOM 952 CB VAL A 51 -0.498 -7.527 -1.713 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.502 -7.342 -2.858 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.438 -6.241 -0.862 1.00 0.00 C ATOM 0 H VAL A 51 -3.022 -6.255 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.785 -8.403 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.252 -8.365 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.479 -7.082 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.581 -8.269 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.159 -6.543 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.585 -6.077 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.762 -5.391 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.095 -6.345 0.002 1.00 0.00 H new ATOM 964 N PRO A 52 -2.273 -10.203 -1.412 1.00 0.00 N ATOM 965 CA PRO A 52 -2.894 -11.244 -0.596 1.00 0.00 C ATOM 966 C PRO A 52 -2.458 -11.157 0.874 1.00 0.00 C ATOM 967 O PRO A 52 -1.361 -10.672 1.166 1.00 0.00 O ATOM 968 CB PRO A 52 -2.410 -12.553 -1.218 1.00 0.00 C ATOM 969 CG PRO A 52 -1.056 -12.222 -1.819 1.00 0.00 C ATOM 970 CD PRO A 52 -1.273 -10.791 -2.300 1.00 0.00 C ATOM 0 HA PRO A 52 -3.980 -11.151 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.328 -13.340 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.104 -12.909 -1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.254 -12.290 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.796 -12.894 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.342 -10.225 -2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.616 -10.777 -3.334 1.00 0.00 H new ATOM 978 N SER A 53 -3.269 -11.657 1.813 1.00 0.00 N ATOM 979 CA SER A 53 -2.954 -11.633 3.247 1.00 0.00 C ATOM 980 C SER A 53 -1.791 -12.571 3.632 1.00 0.00 C ATOM 981 O SER A 53 -1.259 -12.491 4.743 1.00 0.00 O ATOM 982 CB SER A 53 -4.226 -11.962 4.046 1.00 0.00 C ATOM 983 OG SER A 53 -4.801 -13.204 3.677 1.00 0.00 O ATOM 0 H SER A 53 -4.167 -12.092 1.599 1.00 0.00 H new ATOM 0 HA SER A 53 -2.609 -10.629 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.987 -11.979 5.109 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.959 -11.169 3.897 1.00 0.00 H new ATOM 0 HG SER A 53 -5.604 -13.365 4.215 1.00 0.00 H new ATOM 989 N ASP A 54 -1.385 -13.461 2.727 1.00 0.00 N ATOM 990 CA ASP A 54 -0.309 -14.440 2.899 1.00 0.00 C ATOM 991 C ASP A 54 1.066 -13.924 2.463 1.00 0.00 C ATOM 992 O ASP A 54 2.074 -14.523 2.843 1.00 0.00 O ATOM 993 CB ASP A 54 -0.654 -15.729 2.134 1.00 0.00 C ATOM 994 CG ASP A 54 -0.865 -15.503 0.635 1.00 0.00 C ATOM 995 OD1 ASP A 54 0.084 -15.104 -0.069 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.027 -15.671 0.193 1.00 0.00 O ATOM 0 H ASP A 54 -1.819 -13.523 1.806 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.236 -14.639 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.148 -16.454 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.558 -16.166 2.560 1.00 0.00 H new ATOM 1001 N LEU A 55 1.135 -12.810 1.723 1.00 0.00 N ATOM 1002 CA LEU A 55 2.396 -12.248 1.249 1.00 0.00 C ATOM 1003 C LEU A 55 3.306 -11.934 2.436 1.00 0.00 C ATOM 1004 O LEU A 55 2.952 -11.108 3.282 1.00 0.00 O ATOM 1005 CB LEU A 55 2.129 -11.003 0.385 1.00 0.00 C ATOM 1006 CG LEU A 55 3.404 -10.286 -0.107 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.240 -11.174 -1.034 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.010 -9.021 -0.877 1.00 0.00 C ATOM 0 H LEU A 55 0.314 -12.276 1.438 1.00 0.00 H new ATOM 0 HA LEU A 55 2.909 -12.978 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.534 -11.296 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.529 -10.298 0.960 1.00 0.00 H new ATOM 0 HG LEU A 55 4.002 -10.042 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.128 -10.630 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.541 -12.075 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.647 -11.450 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.909 -8.513 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.392 -9.293 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.448 -8.356 -0.221 1.00 0.00 H new ATOM 1020 N THR A 56 4.459 -12.598 2.524 1.00 0.00 N ATOM 1021 CA THR A 56 5.397 -12.355 3.612 1.00 0.00 C ATOM 1022 C THR A 56 6.043 -10.974 3.397 1.00 0.00 C ATOM 1023 O THR A 56 6.267 -10.549 2.258 1.00 0.00 O ATOM 1024 CB THR A 56 6.356 -13.551 3.733 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.973 -13.589 4.995 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.455 -13.590 2.681 1.00 0.00 C ATOM 0 H THR A 56 4.762 -13.306 1.855 1.00 0.00 H new ATOM 0 HA THR A 56 4.915 -12.297 4.588 1.00 0.00 H new ATOM 0 HB THR A 56 5.713 -14.418 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.565 -12.916 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.083 -14.466 2.843 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.007 -13.643 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.063 -12.689 2.757 1.00 0.00 H new ATOM 1034 N VAL A 57 6.350 -10.264 4.485 1.00 0.00 N ATOM 1035 CA VAL A 57 6.954 -8.931 4.448 1.00 0.00 C ATOM 1036 C VAL A 57 8.278 -8.975 3.665 1.00 0.00 C ATOM 1037 O VAL A 57 8.558 -8.081 2.866 1.00 0.00 O ATOM 1038 CB VAL A 57 7.091 -8.402 5.895 1.00 0.00 C ATOM 1039 CG1 VAL A 57 7.823 -7.057 5.973 1.00 0.00 C ATOM 1040 CG2 VAL A 57 5.729 -8.205 6.581 1.00 0.00 C ATOM 0 H VAL A 57 6.183 -10.605 5.432 1.00 0.00 H new ATOM 0 HA VAL A 57 6.319 -8.224 3.913 1.00 0.00 H new ATOM 0 HB VAL A 57 7.669 -9.173 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.888 -6.738 7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.827 -7.165 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.275 -6.311 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.882 -7.833 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.137 -7.485 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.200 -9.157 6.621 1.00 0.00 H new ATOM 1050 N GLY A 58 9.080 -10.037 3.822 1.00 0.00 N ATOM 1051 CA GLY A 58 10.350 -10.177 3.115 1.00 0.00 C ATOM 1052 C GLY A 58 10.175 -10.110 1.592 1.00 0.00 C ATOM 1053 O GLY A 58 10.969 -9.449 0.913 1.00 0.00 O ATOM 0 H GLY A 58 8.863 -10.818 4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.031 -9.389 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.811 -11.127 3.385 1.00 0.00 H new ATOM 1057 N GLN A 59 9.162 -10.801 1.063 1.00 0.00 N ATOM 1058 CA GLN A 59 8.838 -10.837 -0.355 1.00 0.00 C ATOM 1059 C GLN A 59 8.389 -9.451 -0.794 1.00 0.00 C ATOM 1060 O GLN A 59 8.890 -8.952 -1.798 1.00 0.00 O ATOM 1061 CB GLN A 59 7.727 -11.864 -0.630 1.00 0.00 C ATOM 1062 CG GLN A 59 8.257 -13.296 -0.761 1.00 0.00 C ATOM 1063 CD GLN A 59 8.893 -13.510 -2.126 1.00 0.00 C ATOM 1064 OE1 GLN A 59 10.095 -13.310 -2.301 1.00 0.00 O ATOM 1065 NE2 GLN A 59 8.110 -13.873 -3.123 1.00 0.00 N ATOM 0 H GLN A 59 8.530 -11.365 1.631 1.00 0.00 H new ATOM 0 HA GLN A 59 9.722 -11.135 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.996 -11.825 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.205 -11.590 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.990 -13.491 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.442 -14.005 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.116 -14.034 -2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.498 -13.993 -4.059 1.00 0.00 H new ATOM 1074 N PHE A 60 7.512 -8.796 -0.027 1.00 0.00 N ATOM 1075 CA PHE A 60 7.020 -7.469 -0.375 1.00 0.00 C ATOM 1076 C PHE A 60 8.197 -6.493 -0.510 1.00 0.00 C ATOM 1077 O PHE A 60 8.288 -5.766 -1.511 1.00 0.00 O ATOM 1078 CB PHE A 60 6.013 -7.013 0.693 1.00 0.00 C ATOM 1079 CG PHE A 60 5.558 -5.577 0.536 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.856 -5.179 -0.615 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.875 -4.624 1.523 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.495 -3.834 -0.780 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.494 -3.281 1.368 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.817 -2.885 0.204 1.00 0.00 C ATOM 0 H PHE A 60 7.130 -9.169 0.842 1.00 0.00 H new ATOM 0 HA PHE A 60 6.509 -7.494 -1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.141 -7.666 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.463 -7.135 1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.596 -5.906 -1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.416 -4.928 2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.966 -3.526 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.720 -2.559 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.543 -1.850 0.065 1.00 0.00 H new ATOM 1094 N TYR A 61 9.130 -6.505 0.449 1.00 0.00 N ATOM 1095 CA TYR A 61 10.292 -5.626 0.409 1.00 0.00 C ATOM 1096 C TYR A 61 11.094 -5.899 -0.868 1.00 0.00 C ATOM 1097 O TYR A 61 11.460 -4.952 -1.566 1.00 0.00 O ATOM 1098 CB TYR A 61 11.173 -5.812 1.660 1.00 0.00 C ATOM 1099 CG TYR A 61 10.664 -5.239 2.979 1.00 0.00 C ATOM 1100 CD1 TYR A 61 9.362 -4.719 3.117 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.530 -5.206 4.091 1.00 0.00 C ATOM 1102 CE1 TYR A 61 8.917 -4.224 4.352 1.00 0.00 C ATOM 1103 CE2 TYR A 61 11.092 -4.712 5.335 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.767 -4.239 5.479 1.00 0.00 C ATOM 1105 OH TYR A 61 9.292 -3.801 6.680 1.00 0.00 O ATOM 0 H TYR A 61 9.097 -7.118 1.263 1.00 0.00 H new ATOM 0 HA TYR A 61 9.950 -4.591 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.336 -6.881 1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.146 -5.366 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.700 -4.701 2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.543 -5.565 3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.916 -3.828 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.767 -4.694 6.178 1.00 0.00 H new ATOM 0 HH TYR A 61 9.997 -3.875 7.357 1.00 0.00 H new ATOM 1115 N PHE A 62 11.347 -7.171 -1.205 1.00 0.00 N ATOM 1116 CA PHE A 62 12.107 -7.519 -2.404 1.00 0.00 C ATOM 1117 C PHE A 62 11.404 -7.074 -3.691 1.00 0.00 C ATOM 1118 O PHE A 62 12.053 -6.522 -4.582 1.00 0.00 O ATOM 1119 CB PHE A 62 12.407 -9.022 -2.456 1.00 0.00 C ATOM 1120 CG PHE A 62 13.505 -9.331 -3.463 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.854 -9.132 -3.115 1.00 0.00 C ATOM 1122 CD2 PHE A 62 13.188 -9.757 -4.766 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.878 -9.394 -4.042 1.00 0.00 C ATOM 1124 CE2 PHE A 62 14.208 -9.999 -5.704 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.556 -9.823 -5.341 1.00 0.00 C ATOM 0 H PHE A 62 11.034 -7.974 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 62 13.050 -6.975 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.708 -9.369 -1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.502 -9.567 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.105 -8.775 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.155 -9.899 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.912 -9.266 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.956 -10.320 -6.704 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.340 -10.017 -6.058 1.00 0.00 H new ATOM 1135 N LEU A 63 10.086 -7.263 -3.774 1.00 0.00 N ATOM 1136 CA LEU A 63 9.259 -6.905 -4.923 1.00 0.00 C ATOM 1137 C LEU A 63 9.445 -5.433 -5.254 1.00 0.00 C ATOM 1138 O LEU A 63 9.782 -5.095 -6.393 1.00 0.00 O ATOM 1139 CB LEU A 63 7.773 -7.194 -4.618 1.00 0.00 C ATOM 1140 CG LEU A 63 7.195 -8.470 -5.255 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.003 -9.736 -4.955 1.00 0.00 C ATOM 1142 CD2 LEU A 63 5.760 -8.648 -4.740 1.00 0.00 C ATOM 0 H LEU A 63 9.549 -7.684 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 63 9.565 -7.504 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.650 -7.262 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.180 -6.343 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 63 7.231 -8.340 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.532 -10.592 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.018 -9.618 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.035 -9.900 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.326 -9.547 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.772 -8.742 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.162 -7.782 -5.023 1.00 0.00 H new ATOM 1154 N ILE A 64 9.262 -4.548 -4.265 1.00 0.00 N ATOM 1155 CA ILE A 64 9.411 -3.119 -4.540 1.00 0.00 C ATOM 1156 C ILE A 64 10.879 -2.809 -4.823 1.00 0.00 C ATOM 1157 O ILE A 64 11.143 -2.064 -5.765 1.00 0.00 O ATOM 1158 CB ILE A 64 8.780 -2.248 -3.439 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.233 -2.265 -3.479 1.00 0.00 C ATOM 1160 CG2 ILE A 64 9.196 -0.767 -3.563 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.539 -3.621 -3.629 1.00 0.00 C ATOM 0 H ILE A 64 9.020 -4.786 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 64 8.849 -2.859 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 64 9.143 -2.682 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.869 -1.802 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.912 -1.631 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.728 -0.190 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.280 -0.685 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.875 -0.379 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.459 -3.477 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.854 -4.090 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.810 -4.263 -2.791 1.00 0.00 H new ATOM 1173 N ARG A 65 11.830 -3.384 -4.070 1.00 0.00 N ATOM 1174 CA ARG A 65 13.270 -3.169 -4.266 1.00 0.00 C ATOM 1175 C ARG A 65 13.604 -3.385 -5.742 1.00 0.00 C ATOM 1176 O ARG A 65 14.221 -2.520 -6.367 1.00 0.00 O ATOM 1177 CB ARG A 65 14.045 -4.084 -3.296 1.00 0.00 C ATOM 1178 CG ARG A 65 15.530 -3.763 -3.074 1.00 0.00 C ATOM 1179 CD ARG A 65 16.024 -4.590 -1.872 1.00 0.00 C ATOM 1180 NE ARG A 65 17.420 -4.293 -1.507 1.00 0.00 N ATOM 1181 CZ ARG A 65 18.401 -5.175 -1.275 1.00 0.00 C ATOM 1182 NH1 ARG A 65 18.180 -6.487 -1.309 1.00 0.00 N ATOM 1183 NH2 ARG A 65 19.641 -4.758 -1.060 1.00 0.00 N ATOM 0 H ARG A 65 11.617 -4.018 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 65 13.570 -2.148 -4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.543 -4.055 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.971 -5.108 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.109 -4.004 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.665 -2.698 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 65 15.380 -4.395 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.932 -5.651 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 65 17.667 -3.307 -1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.246 -6.842 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.944 -7.138 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.853 -3.760 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.383 -5.435 -0.884 1.00 0.00 H new ATOM 1197 N LYS A 66 13.168 -4.508 -6.324 1.00 0.00 N ATOM 1198 CA LYS A 66 13.409 -4.786 -7.729 1.00 0.00 C ATOM 1199 C LYS A 66 12.638 -3.824 -8.628 1.00 0.00 C ATOM 1200 O LYS A 66 13.208 -3.355 -9.607 1.00 0.00 O ATOM 1201 CB LYS A 66 13.096 -6.255 -8.059 1.00 0.00 C ATOM 1202 CG LYS A 66 14.222 -6.858 -8.908 1.00 0.00 C ATOM 1203 CD LYS A 66 15.470 -7.152 -8.057 1.00 0.00 C ATOM 1204 CE LYS A 66 16.632 -7.687 -8.896 1.00 0.00 C ATOM 1205 NZ LYS A 66 17.333 -6.627 -9.657 1.00 0.00 N ATOM 0 H LYS A 66 12.646 -5.235 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 66 14.469 -4.624 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.980 -6.826 -7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.150 -6.321 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.874 -7.779 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.482 -6.170 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.782 -6.241 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.218 -7.879 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.345 -8.188 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.256 -8.437 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.109 -7.049 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.664 -6.164 -10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.719 -5.923 -8.996 1.00 0.00 H new ATOM 1219 N ARG A 67 11.369 -3.499 -8.341 1.00 0.00 N ATOM 1220 CA ARG A 67 10.588 -2.579 -9.184 1.00 0.00 C ATOM 1221 C ARG A 67 11.194 -1.177 -9.252 1.00 0.00 C ATOM 1222 O ARG A 67 10.991 -0.502 -10.260 1.00 0.00 O ATOM 1223 CB ARG A 67 9.119 -2.494 -8.722 1.00 0.00 C ATOM 1224 CG ARG A 67 8.198 -3.592 -9.282 1.00 0.00 C ATOM 1225 CD ARG A 67 8.080 -3.507 -10.812 1.00 0.00 C ATOM 1226 NE ARG A 67 6.880 -4.182 -11.338 1.00 0.00 N ATOM 1227 CZ ARG A 67 6.486 -4.139 -12.620 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.290 -3.622 -13.543 1.00 0.00 N ATOM 1229 NH2 ARG A 67 5.293 -4.591 -12.985 1.00 0.00 N ATOM 0 H ARG A 67 10.861 -3.859 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 67 10.619 -3.000 -10.189 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.093 -2.539 -7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.718 -1.522 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.586 -4.571 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.208 -3.500 -8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.061 -2.459 -11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.967 -3.951 -11.264 1.00 0.00 H new ATOM 0 HE ARG A 67 6.311 -4.718 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.205 -3.259 -13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.992 -3.589 -14.518 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.659 -4.979 -12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.010 -4.550 -13.964 1.00 0.00 H new ATOM 1243 N ILE A 68 11.939 -0.732 -8.237 1.00 0.00 N ATOM 1244 CA ILE A 68 12.571 0.590 -8.235 1.00 0.00 C ATOM 1245 C ILE A 68 14.005 0.537 -8.793 1.00 0.00 C ATOM 1246 O ILE A 68 14.688 1.562 -8.823 1.00 0.00 O ATOM 1247 CB ILE A 68 12.437 1.283 -6.863 1.00 0.00 C ATOM 1248 CG1 ILE A 68 13.269 0.622 -5.746 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.940 1.416 -6.514 1.00 0.00 C ATOM 1250 CD1 ILE A 68 13.218 1.391 -4.423 1.00 0.00 C ATOM 0 H ILE A 68 12.121 -1.277 -7.394 1.00 0.00 H new ATOM 0 HA ILE A 68 12.027 1.232 -8.927 1.00 0.00 H new ATOM 0 HB ILE A 68 12.870 2.280 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.906 -0.393 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.306 0.542 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.834 1.905 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.440 2.012 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.487 0.426 -6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.823 0.874 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.608 2.398 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.187 1.449 -4.075 1.00 0.00 H new ATOM 1262 N HIS A 69 14.450 -0.645 -9.239 1.00 0.00 N ATOM 1263 CA HIS A 69 15.744 -0.958 -9.834 1.00 0.00 C ATOM 1264 C HIS A 69 16.937 -0.221 -9.221 1.00 0.00 C ATOM 1265 O HIS A 69 17.716 0.418 -9.931 1.00 0.00 O ATOM 1266 CB HIS A 69 15.648 -0.765 -11.350 1.00 0.00 C ATOM 1267 CG HIS A 69 14.738 -1.767 -11.998 1.00 0.00 C ATOM 1268 ND1 HIS A 69 15.114 -3.011 -12.446 1.00 0.00 N ATOM 1269 CD2 HIS A 69 13.394 -1.631 -12.200 1.00 0.00 C ATOM 1270 CE1 HIS A 69 14.014 -3.607 -12.928 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.937 -2.819 -12.785 1.00 0.00 N ATOM 0 H HIS A 69 13.858 -1.474 -9.185 1.00 0.00 H new ATOM 0 HA HIS A 69 15.960 -2.001 -9.604 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.287 0.241 -11.563 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.643 -0.846 -11.788 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.794 -0.767 -11.954 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.997 -4.591 -13.373 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.977 -3.041 -13.050 1.00 0.00 H new ATOM 1279 N LEU A 70 17.050 -0.255 -7.892 1.00 0.00 N ATOM 1280 CA LEU A 70 18.179 0.389 -7.236 1.00 0.00 C ATOM 1281 C LEU A 70 19.387 -0.543 -7.312 1.00 0.00 C ATOM 1282 O LEU A 70 19.252 -1.762 -7.506 1.00 0.00 O ATOM 1283 CB LEU A 70 17.856 0.892 -5.821 1.00 0.00 C ATOM 1284 CG LEU A 70 17.240 -0.098 -4.817 1.00 0.00 C ATOM 1285 CD1 LEU A 70 18.169 -1.209 -4.316 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.792 0.698 -3.596 1.00 0.00 C ATOM 0 H LEU A 70 16.388 -0.712 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 70 18.426 1.307 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.779 1.275 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 70 17.174 1.737 -5.916 1.00 0.00 H new ATOM 0 HG LEU A 70 16.433 -0.596 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.630 -1.846 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.510 -1.807 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.029 -0.765 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.350 0.023 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.652 1.200 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.053 1.441 -3.897 1.00 0.00 H new ATOM 1298 N ARG A 71 20.575 0.056 -7.235 1.00 0.00 N ATOM 1299 CA ARG A 71 21.846 -0.654 -7.271 1.00 0.00 C ATOM 1300 C ARG A 71 21.943 -1.446 -5.963 1.00 0.00 C ATOM 1301 O ARG A 71 21.278 -1.101 -4.989 1.00 0.00 O ATOM 1302 CB ARG A 71 23.003 0.350 -7.361 1.00 0.00 C ATOM 1303 CG ARG A 71 23.169 1.164 -8.661 1.00 0.00 C ATOM 1304 CD ARG A 71 21.982 1.990 -9.172 1.00 0.00 C ATOM 1305 NE ARG A 71 21.423 2.878 -8.146 1.00 0.00 N ATOM 1306 CZ ARG A 71 20.200 3.409 -8.128 1.00 0.00 C ATOM 1307 NH1 ARG A 71 19.400 3.310 -9.186 1.00 0.00 N ATOM 1308 NH2 ARG A 71 19.804 3.990 -7.004 1.00 0.00 N ATOM 0 H ARG A 71 20.679 1.067 -7.144 1.00 0.00 H new ATOM 0 HA ARG A 71 21.905 -1.314 -8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.894 1.057 -6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.931 -0.196 -7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 71 24.008 1.845 -8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.452 0.469 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 71 22.301 2.586 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.202 1.316 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 71 22.034 3.114 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.720 2.824 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.467 3.720 -9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.427 4.018 -6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.876 4.409 -6.946 1.00 0.00 H new ATOM 1322 N PRO A 72 22.804 -2.463 -5.859 1.00 0.00 N ATOM 1323 CA PRO A 72 22.891 -3.240 -4.635 1.00 0.00 C ATOM 1324 C PRO A 72 23.479 -2.491 -3.439 1.00 0.00 C ATOM 1325 O PRO A 72 23.240 -2.929 -2.317 1.00 0.00 O ATOM 1326 CB PRO A 72 23.670 -4.502 -5.000 1.00 0.00 C ATOM 1327 CG PRO A 72 24.500 -4.079 -6.212 1.00 0.00 C ATOM 1328 CD PRO A 72 23.664 -2.997 -6.895 1.00 0.00 C ATOM 0 HA PRO A 72 21.890 -3.478 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.303 -4.833 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.002 -5.329 -5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.475 -3.695 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.682 -4.920 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.299 -2.219 -7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.079 -3.412 -7.716 1.00 0.00 H new ATOM 1336 N GLU A 73 24.230 -1.404 -3.631 1.00 0.00 N ATOM 1337 CA GLU A 73 24.815 -0.652 -2.520 1.00 0.00 C ATOM 1338 C GLU A 73 23.812 0.345 -1.913 1.00 0.00 C ATOM 1339 O GLU A 73 23.957 0.768 -0.769 1.00 0.00 O ATOM 1340 CB GLU A 73 26.062 0.080 -3.045 1.00 0.00 C ATOM 1341 CG GLU A 73 26.970 0.669 -1.955 1.00 0.00 C ATOM 1342 CD GLU A 73 27.699 -0.414 -1.153 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.059 -1.062 -0.287 1.00 0.00 O ATOM 1344 OE2 GLU A 73 28.906 -0.606 -1.413 1.00 0.00 O ATOM 0 H GLU A 73 24.448 -1.024 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 73 25.087 -1.342 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.646 -0.614 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.742 0.886 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.703 1.331 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.371 1.278 -1.277 1.00 0.00 H new ATOM 1351 N ASP A 74 22.780 0.739 -2.658 1.00 0.00 N ATOM 1352 CA ASP A 74 21.779 1.697 -2.190 1.00 0.00 C ATOM 1353 C ASP A 74 20.873 1.063 -1.149 1.00 0.00 C ATOM 1354 O ASP A 74 20.475 -0.096 -1.298 1.00 0.00 O ATOM 1355 CB ASP A 74 20.972 2.223 -3.377 1.00 0.00 C ATOM 1356 CG ASP A 74 21.800 3.210 -4.194 1.00 0.00 C ATOM 1357 OD1 ASP A 74 22.451 4.110 -3.620 1.00 0.00 O ATOM 1358 OD2 ASP A 74 21.866 3.058 -5.434 1.00 0.00 O ATOM 0 H ASP A 74 22.614 0.402 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 74 22.286 2.537 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.660 1.391 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.064 2.710 -3.020 1.00 0.00 H new ATOM 1363 N ALA A 75 20.595 1.788 -0.065 1.00 0.00 N ATOM 1364 CA ALA A 75 19.735 1.327 1.016 1.00 0.00 C ATOM 1365 C ALA A 75 18.263 1.443 0.604 1.00 0.00 C ATOM 1366 O ALA A 75 17.934 1.970 -0.459 1.00 0.00 O ATOM 1367 CB ALA A 75 20.018 2.150 2.278 1.00 0.00 C ATOM 0 H ALA A 75 20.968 2.725 0.085 1.00 0.00 H new ATOM 0 HA ALA A 75 19.944 0.278 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.375 1.806 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.062 2.027 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.818 3.203 2.078 1.00 0.00 H new ATOM 1373 N LEU A 76 17.374 0.831 1.388 1.00 0.00 N ATOM 1374 CA LEU A 76 15.935 0.867 1.171 1.00 0.00 C ATOM 1375 C LEU A 76 15.272 0.427 2.460 1.00 0.00 C ATOM 1376 O LEU A 76 15.545 -0.685 2.920 1.00 0.00 O ATOM 1377 CB LEU A 76 15.499 -0.041 0.014 1.00 0.00 C ATOM 1378 CG LEU A 76 13.985 -0.038 -0.268 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.446 1.338 -0.674 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.713 -1.036 -1.397 1.00 0.00 C ATOM 0 H LEU A 76 17.644 0.287 2.207 1.00 0.00 H new ATOM 0 HA LEU A 76 15.638 1.879 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.024 0.267 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.813 -1.062 0.233 1.00 0.00 H new ATOM 0 HG LEU A 76 13.474 -0.313 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.374 1.269 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.631 2.052 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.949 1.673 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.646 -1.054 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.263 -0.735 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.037 -2.030 -1.089 1.00 0.00 H new ATOM 1392 N PHE A 77 14.398 1.269 2.998 1.00 0.00 N ATOM 1393 CA PHE A 77 13.645 1.030 4.213 1.00 0.00 C ATOM 1394 C PHE A 77 12.173 1.265 3.894 1.00 0.00 C ATOM 1395 O PHE A 77 11.826 2.056 3.009 1.00 0.00 O ATOM 1396 CB PHE A 77 14.151 1.913 5.365 1.00 0.00 C ATOM 1397 CG PHE A 77 15.514 1.506 5.901 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.704 0.237 6.482 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.610 2.381 5.799 1.00 0.00 C ATOM 1400 CE1 PHE A 77 16.976 -0.154 6.934 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.884 1.987 6.238 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.072 0.716 6.804 1.00 0.00 C ATOM 0 H PHE A 77 14.189 2.175 2.578 1.00 0.00 H new ATOM 0 HA PHE A 77 13.779 0.004 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.200 2.947 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.427 1.881 6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.868 -0.439 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.470 3.366 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.112 -1.127 7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.721 2.663 6.140 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.052 0.409 7.137 1.00 0.00 H new ATOM 1412 N PHE A 78 11.317 0.547 4.615 1.00 0.00 N ATOM 1413 CA PHE A 78 9.872 0.589 4.487 1.00 0.00 C ATOM 1414 C PHE A 78 9.243 0.765 5.857 1.00 0.00 C ATOM 1415 O PHE A 78 9.788 0.290 6.858 1.00 0.00 O ATOM 1416 CB PHE A 78 9.370 -0.730 3.901 1.00 0.00 C ATOM 1417 CG PHE A 78 9.856 -1.033 2.506 1.00 0.00 C ATOM 1418 CD1 PHE A 78 9.196 -0.456 1.410 1.00 0.00 C ATOM 1419 CD2 PHE A 78 10.937 -1.909 2.300 1.00 0.00 C ATOM 1420 CE1 PHE A 78 9.589 -0.789 0.106 1.00 0.00 C ATOM 1421 CE2 PHE A 78 11.323 -2.250 0.994 1.00 0.00 C ATOM 1422 CZ PHE A 78 10.630 -1.709 -0.101 1.00 0.00 C ATOM 0 H PHE A 78 11.629 -0.106 5.334 1.00 0.00 H new ATOM 0 HA PHE A 78 9.601 1.420 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.675 -1.543 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.280 -0.716 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.388 0.242 1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.469 -2.319 3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.091 -0.338 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 78 12.150 -2.926 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.898 -2.001 -1.105 1.00 0.00 H new ATOM 1432 N PHE A 79 8.080 1.406 5.885 1.00 0.00 N ATOM 1433 CA PHE A 79 7.323 1.662 7.095 1.00 0.00 C ATOM 1434 C PHE A 79 5.846 1.438 6.798 1.00 0.00 C ATOM 1435 O PHE A 79 5.405 1.523 5.643 1.00 0.00 O ATOM 1436 CB PHE A 79 7.559 3.104 7.570 1.00 0.00 C ATOM 1437 CG PHE A 79 9.017 3.489 7.761 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.809 3.842 6.650 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.593 3.473 9.045 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.176 4.118 6.811 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.954 3.791 9.211 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.748 4.098 8.093 1.00 0.00 C ATOM 0 H PHE A 79 7.631 1.769 5.044 1.00 0.00 H new ATOM 0 HA PHE A 79 7.646 0.986 7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.111 3.786 6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.034 3.250 8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.362 3.901 5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.990 3.217 9.904 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.787 4.345 5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.389 3.799 10.200 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.798 4.318 8.220 1.00 0.00 H new ATOM 1452 N VAL A 80 5.093 1.093 7.830 1.00 0.00 N ATOM 1453 CA VAL A 80 3.659 0.859 7.816 1.00 0.00 C ATOM 1454 C VAL A 80 3.201 1.403 9.165 1.00 0.00 C ATOM 1455 O VAL A 80 3.893 1.173 10.155 1.00 0.00 O ATOM 1456 CB VAL A 80 3.339 -0.628 7.571 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.988 -1.586 8.575 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.831 -0.872 7.526 1.00 0.00 C ATOM 0 H VAL A 80 5.493 0.961 8.759 1.00 0.00 H new ATOM 0 HA VAL A 80 3.129 1.354 7.002 1.00 0.00 H new ATOM 0 HB VAL A 80 3.779 -0.851 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.712 -2.612 8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.072 -1.482 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.643 -1.347 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.639 -1.931 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.386 -0.574 8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.391 -0.286 6.719 1.00 0.00 H new ATOM 1468 N ASN A 81 2.089 2.138 9.197 1.00 0.00 N ATOM 1469 CA ASN A 81 1.494 2.763 10.376 1.00 0.00 C ATOM 1470 C ASN A 81 2.501 3.116 11.481 1.00 0.00 C ATOM 1471 O ASN A 81 2.476 2.572 12.588 1.00 0.00 O ATOM 1472 CB ASN A 81 0.321 1.948 10.926 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.356 2.693 12.077 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.335 3.927 12.134 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -0.954 1.967 13.005 1.00 0.00 N ATOM 0 H ASN A 81 1.549 2.323 8.351 1.00 0.00 H new ATOM 0 HA ASN A 81 1.107 3.718 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.402 1.759 10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.676 0.977 11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.413 2.424 13.793 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.956 0.950 12.934 1.00 0.00 H new ATOM 1482 N ASN A 82 3.402 4.047 11.170 1.00 0.00 N ATOM 1483 CA ASN A 82 4.432 4.573 12.066 1.00 0.00 C ATOM 1484 C ASN A 82 5.269 3.493 12.776 1.00 0.00 C ATOM 1485 O ASN A 82 5.800 3.755 13.859 1.00 0.00 O ATOM 1486 CB ASN A 82 3.748 5.510 13.090 1.00 0.00 C ATOM 1487 CG ASN A 82 2.882 6.579 12.432 1.00 0.00 C ATOM 1488 OD1 ASN A 82 3.386 7.632 12.055 1.00 0.00 O ATOM 1489 ND2 ASN A 82 1.586 6.329 12.266 1.00 0.00 N ATOM 0 H ASN A 82 3.436 4.475 10.245 1.00 0.00 H new ATOM 0 HA ASN A 82 5.152 5.118 11.456 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.132 4.915 13.764 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.512 5.993 13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.987 7.021 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.192 5.445 12.589 1.00 0.00 H new ATOM 1496 N THR A 83 5.444 2.310 12.180 1.00 0.00 N ATOM 1497 CA THR A 83 6.156 1.170 12.754 1.00 0.00 C ATOM 1498 C THR A 83 7.052 0.438 11.735 1.00 0.00 C ATOM 1499 O THR A 83 6.846 0.539 10.520 1.00 0.00 O ATOM 1500 CB THR A 83 5.074 0.242 13.353 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.160 0.993 14.142 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.667 -0.839 14.257 1.00 0.00 C ATOM 0 H THR A 83 5.078 2.115 11.248 1.00 0.00 H new ATOM 0 HA THR A 83 6.853 1.509 13.520 1.00 0.00 H new ATOM 0 HB THR A 83 4.577 -0.229 12.505 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.538 1.472 13.555 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.865 -1.463 14.652 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.357 -1.456 13.682 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.202 -0.370 15.083 1.00 0.00 H new ATOM 1510 N ILE A 84 8.099 -0.246 12.227 1.00 0.00 N ATOM 1511 CA ILE A 84 9.059 -1.024 11.440 1.00 0.00 C ATOM 1512 C ILE A 84 8.855 -2.518 11.783 1.00 0.00 C ATOM 1513 O ILE A 84 9.492 -3.014 12.723 1.00 0.00 O ATOM 1514 CB ILE A 84 10.523 -0.559 11.681 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.671 0.977 11.610 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.436 -1.252 10.649 1.00 0.00 C ATOM 1517 CD1 ILE A 84 12.117 1.477 11.759 1.00 0.00 C ATOM 0 H ILE A 84 8.304 -0.270 13.226 1.00 0.00 H new ATOM 0 HA ILE A 84 8.879 -0.866 10.377 1.00 0.00 H new ATOM 0 HB ILE A 84 10.818 -0.844 12.691 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.274 1.326 10.657 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.060 1.426 12.393 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.467 -0.936 10.805 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.366 -2.333 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.121 -0.978 9.642 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.134 2.565 11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.513 1.162 12.724 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.731 1.059 10.961 1.00 0.00 H new ATOM 1529 N PRO A 85 7.972 -3.250 11.080 1.00 0.00 N ATOM 1530 CA PRO A 85 7.735 -4.667 11.344 1.00 0.00 C ATOM 1531 C PRO A 85 8.868 -5.543 10.790 1.00 0.00 C ATOM 1532 O PRO A 85 9.615 -5.116 9.900 1.00 0.00 O ATOM 1533 CB PRO A 85 6.431 -4.994 10.618 1.00 0.00 C ATOM 1534 CG PRO A 85 6.485 -4.067 9.410 1.00 0.00 C ATOM 1535 CD PRO A 85 7.146 -2.805 9.967 1.00 0.00 C ATOM 0 HA PRO A 85 7.686 -4.863 12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.382 -6.042 10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.559 -4.798 11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.066 -4.500 8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.490 -3.860 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.749 -2.310 9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.398 -2.085 10.298 1.00 0.00 H new ATOM 1543 N PRO A 86 8.976 -6.801 11.248 1.00 0.00 N ATOM 1544 CA PRO A 86 10.006 -7.707 10.787 1.00 0.00 C ATOM 1545 C PRO A 86 9.629 -8.332 9.449 1.00 0.00 C ATOM 1546 O PRO A 86 8.457 -8.585 9.156 1.00 0.00 O ATOM 1547 CB PRO A 86 10.072 -8.792 11.862 1.00 0.00 C ATOM 1548 CG PRO A 86 8.636 -8.884 12.373 1.00 0.00 C ATOM 1549 CD PRO A 86 8.171 -7.431 12.286 1.00 0.00 C ATOM 0 HA PRO A 86 10.956 -7.195 10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.412 -9.742 11.451 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.764 -8.523 12.660 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.026 -9.545 11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.590 -9.266 13.393 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.110 -7.377 12.041 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.303 -6.923 13.241 1.00 0.00 H new ATOM 1557 N THR A 87 10.644 -8.689 8.665 1.00 0.00 N ATOM 1558 CA THR A 87 10.466 -9.331 7.369 1.00 0.00 C ATOM 1559 C THR A 87 9.824 -10.724 7.508 1.00 0.00 C ATOM 1560 O THR A 87 9.388 -11.303 6.507 1.00 0.00 O ATOM 1561 CB THR A 87 11.799 -9.341 6.604 1.00 0.00 C ATOM 1562 OG1 THR A 87 12.905 -9.486 7.481 1.00 0.00 O ATOM 1563 CG2 THR A 87 11.978 -8.018 5.855 1.00 0.00 C ATOM 0 H THR A 87 11.621 -8.538 8.916 1.00 0.00 H new ATOM 0 HA THR A 87 9.760 -8.751 6.775 1.00 0.00 H new ATOM 0 HB THR A 87 11.767 -10.185 5.916 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.736 -9.490 6.962 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.925 -8.031 5.315 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.159 -7.886 5.148 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.978 -7.193 6.568 1.00 0.00 H new ATOM 1571 N SER A 88 9.785 -11.275 8.727 1.00 0.00 N ATOM 1572 CA SER A 88 9.214 -12.568 9.036 1.00 0.00 C ATOM 1573 C SER A 88 7.684 -12.537 9.124 1.00 0.00 C ATOM 1574 O SER A 88 7.067 -13.605 9.055 1.00 0.00 O ATOM 1575 CB SER A 88 9.843 -13.077 10.335 1.00 0.00 C ATOM 1576 OG SER A 88 9.639 -12.189 11.414 1.00 0.00 O ATOM 0 H SER A 88 10.168 -10.806 9.548 1.00 0.00 H new ATOM 0 HA SER A 88 9.441 -13.253 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.420 -14.050 10.584 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.913 -13.223 10.185 1.00 0.00 H new ATOM 0 HG SER A 88 10.056 -12.555 12.222 1.00 0.00 H new ATOM 1582 N ALA A 89 7.073 -11.364 9.328 1.00 0.00 N ATOM 1583 CA ALA A 89 5.621 -11.226 9.420 1.00 0.00 C ATOM 1584 C ALA A 89 4.987 -11.342 8.023 1.00 0.00 C ATOM 1585 O ALA A 89 5.683 -11.535 7.023 1.00 0.00 O ATOM 1586 CB ALA A 89 5.275 -9.899 10.113 1.00 0.00 C ATOM 0 H ALA A 89 7.576 -10.483 9.434 1.00 0.00 H new ATOM 0 HA ALA A 89 5.207 -12.033 10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.192 -9.796 10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.705 -9.889 11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.682 -9.070 9.535 1.00 0.00 H new ATOM 1592 N THR A 90 3.664 -11.219 7.936 1.00 0.00 N ATOM 1593 CA THR A 90 2.907 -11.291 6.691 1.00 0.00 C ATOM 1594 C THR A 90 2.014 -10.056 6.584 1.00 0.00 C ATOM 1595 O THR A 90 1.691 -9.420 7.591 1.00 0.00 O ATOM 1596 CB THR A 90 2.081 -12.596 6.650 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.358 -12.754 7.858 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.950 -13.842 6.451 1.00 0.00 C ATOM 0 H THR A 90 3.074 -11.062 8.753 1.00 0.00 H new ATOM 0 HA THR A 90 3.584 -11.306 5.837 1.00 0.00 H new ATOM 0 HB THR A 90 1.408 -12.505 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.837 -13.583 7.821 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.316 -14.728 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.492 -13.761 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.662 -13.924 7.273 1.00 0.00 H new ATOM 1606 N MET A 91 1.570 -9.738 5.368 1.00 0.00 N ATOM 1607 CA MET A 91 0.699 -8.599 5.116 1.00 0.00 C ATOM 1608 C MET A 91 -0.603 -8.705 5.920 1.00 0.00 C ATOM 1609 O MET A 91 -1.135 -7.686 6.355 1.00 0.00 O ATOM 1610 CB MET A 91 0.371 -8.493 3.627 1.00 0.00 C ATOM 1611 CG MET A 91 1.545 -8.025 2.758 1.00 0.00 C ATOM 1612 SD MET A 91 2.223 -6.388 3.147 1.00 0.00 S ATOM 1613 CE MET A 91 0.816 -5.319 2.753 1.00 0.00 C ATOM 0 H MET A 91 1.808 -10.268 4.529 1.00 0.00 H new ATOM 0 HA MET A 91 1.232 -7.703 5.433 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.034 -9.466 3.270 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.461 -7.801 3.498 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.348 -8.758 2.842 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.222 -8.024 1.717 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.090 -4.278 2.926 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.539 -5.452 1.707 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.030 -5.582 3.388 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.123 -9.918 6.138 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.346 -10.098 6.902 1.00 0.00 C ATOM 1625 C GLY A 92 -2.136 -9.714 8.366 1.00 0.00 C ATOM 1626 O GLY A 92 -3.037 -9.127 8.956 1.00 0.00 O ATOM 0 H GLY A 92 -0.710 -10.785 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.141 -9.488 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.670 -11.137 6.837 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.966 -9.997 8.953 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.684 -9.654 10.346 1.00 0.00 C ATOM 1632 C GLN A 93 -0.705 -8.140 10.519 1.00 0.00 C ATOM 1633 O GLN A 93 -1.431 -7.641 11.374 1.00 0.00 O ATOM 1634 CB GLN A 93 0.670 -10.230 10.778 1.00 0.00 C ATOM 1635 CG GLN A 93 0.590 -11.740 11.020 1.00 0.00 C ATOM 1636 CD GLN A 93 -0.076 -12.045 12.359 1.00 0.00 C ATOM 1637 OE1 GLN A 93 0.511 -11.788 13.407 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -1.285 -12.573 12.376 1.00 0.00 N ATOM 0 H GLN A 93 -0.196 -10.467 8.477 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.455 -10.091 10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.415 -10.023 10.010 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.004 -9.732 11.689 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.028 -12.212 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.592 -12.168 11.002 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.763 -12.782 11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.742 -12.772 13.266 1.00 0.00 H new ATOM 1647 N LEU A 94 0.034 -7.398 9.687 1.00 0.00 N ATOM 1648 CA LEU A 94 0.037 -5.941 9.793 1.00 0.00 C ATOM 1649 C LEU A 94 -1.374 -5.417 9.524 1.00 0.00 C ATOM 1650 O LEU A 94 -1.775 -4.425 10.118 1.00 0.00 O ATOM 1651 CB LEU A 94 1.158 -5.286 8.958 1.00 0.00 C ATOM 1652 CG LEU A 94 1.239 -5.641 7.463 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.333 -4.787 6.569 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.679 -5.486 6.960 1.00 0.00 C ATOM 0 H LEU A 94 0.626 -7.776 8.947 1.00 0.00 H new ATOM 0 HA LEU A 94 0.293 -5.644 10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.049 -4.205 9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.112 -5.546 9.416 1.00 0.00 H new ATOM 0 HG LEU A 94 0.896 -6.673 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.448 -5.099 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.705 -4.916 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.611 -3.738 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.724 -5.740 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.004 -4.455 7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.334 -6.153 7.521 1.00 0.00 H new ATOM 1666 N TYR A 95 -2.140 -6.043 8.626 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.510 -5.638 8.340 1.00 0.00 C ATOM 1668 C TYR A 95 -4.410 -5.832 9.572 1.00 0.00 C ATOM 1669 O TYR A 95 -5.351 -5.067 9.778 1.00 0.00 O ATOM 1670 CB TYR A 95 -4.022 -6.392 7.109 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.462 -6.156 6.680 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -6.065 -4.887 6.770 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.185 -7.215 6.105 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.328 -4.651 6.201 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.446 -6.994 5.532 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.005 -5.699 5.538 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.164 -5.450 4.871 1.00 0.00 O ATOM 0 H TYR A 95 -1.824 -6.844 8.080 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.535 -4.573 8.110 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.376 -6.138 6.268 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.899 -7.459 7.295 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.551 -4.086 7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.765 -8.210 6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.779 -3.672 6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.989 -7.815 5.087 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.142 -4.541 4.506 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.181 -6.897 10.342 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.913 -7.276 11.549 1.00 0.00 C ATOM 1689 C GLU A 96 -4.621 -6.285 12.682 1.00 0.00 C ATOM 1690 O GLU A 96 -5.544 -5.816 13.347 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.505 -8.722 11.910 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.473 -9.480 12.820 1.00 0.00 C ATOM 1693 CD GLU A 96 -5.017 -10.938 12.983 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -5.243 -11.779 12.079 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -4.427 -11.287 14.033 1.00 0.00 O ATOM 0 H GLU A 96 -3.434 -7.557 10.125 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.990 -7.242 11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.387 -9.287 10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.528 -8.694 12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.522 -8.995 13.795 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.478 -9.451 12.399 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.348 -5.913 12.841 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.848 -5.002 13.874 1.00 0.00 C ATOM 1704 C ASP A 97 -3.083 -3.514 13.564 1.00 0.00 C ATOM 1705 O ASP A 97 -3.258 -2.701 14.469 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.349 -5.283 14.059 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.908 -5.039 15.498 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.025 -5.982 16.317 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -0.387 -3.940 15.798 1.00 0.00 O ATOM 0 H ASP A 97 -2.607 -6.253 12.228 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.409 -5.192 14.789 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.134 -6.315 13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.773 -4.646 13.388 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.130 -3.144 12.281 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.350 -1.776 11.773 1.00 0.00 C ATOM 1716 C ASN A 98 -4.798 -1.551 11.337 1.00 0.00 C ATOM 1717 O ASN A 98 -5.103 -0.542 10.691 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.381 -1.392 10.646 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.944 -1.377 11.125 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.635 -0.858 12.191 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.022 -1.932 10.361 1.00 0.00 N ATOM 0 H ASN A 98 -3.010 -3.820 11.527 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.142 -1.116 12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.483 -2.098 9.822 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.646 -0.409 10.258 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.954 -1.930 10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.286 -2.362 9.475 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.648 -2.560 11.523 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.055 -2.558 11.176 1.00 0.00 C ATOM 1730 C HIS A 99 -7.746 -1.217 11.466 1.00 0.00 C ATOM 1731 O HIS A 99 -7.671 -0.656 12.561 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.759 -3.725 11.879 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.004 -3.525 13.358 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -9.204 -3.749 13.986 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -7.134 -3.038 14.302 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -9.064 -3.427 15.276 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -7.841 -2.927 15.507 1.00 0.00 N ATOM 0 H HIS A 99 -5.352 -3.442 11.941 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.130 -2.693 10.097 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.716 -3.901 11.388 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.160 -4.626 11.744 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.095 -2.787 14.145 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.829 -3.552 16.028 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.494 -2.542 16.386 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.384 -0.680 10.435 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.134 0.561 10.466 1.00 0.00 C ATOM 1747 C GLU A 100 -10.536 0.226 9.967 1.00 0.00 C ATOM 1748 O GLU A 100 -10.735 -0.817 9.335 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.437 1.637 9.611 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.444 2.467 10.443 1.00 0.00 C ATOM 1751 CD GLU A 100 -8.111 3.432 11.437 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -9.365 3.425 11.547 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.382 4.235 12.065 1.00 0.00 O ATOM 0 H GLU A 100 -8.391 -1.120 9.515 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.190 0.980 11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.910 1.161 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.186 2.297 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.792 1.789 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.810 3.040 9.767 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.504 1.112 10.184 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.881 0.880 9.744 1.00 0.00 C ATOM 1762 C GLU A 101 -13.001 1.065 8.228 1.00 0.00 C ATOM 1763 O GLU A 101 -13.977 0.624 7.618 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.841 1.801 10.512 1.00 0.00 C ATOM 1765 CG GLU A 101 -13.706 3.298 10.187 1.00 0.00 C ATOM 1766 CD GLU A 101 -14.534 4.148 11.153 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -15.741 4.391 10.896 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -14.017 4.532 12.222 1.00 0.00 O ATOM 0 H GLU A 101 -11.362 2.001 10.663 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.159 -0.150 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.864 1.490 10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.678 1.661 11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.658 3.593 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.033 3.482 9.164 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.972 1.656 7.626 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.819 1.937 6.211 1.00 0.00 C ATOM 1777 C ASP A 102 -11.270 0.705 5.487 1.00 0.00 C ATOM 1778 O ASP A 102 -11.321 0.636 4.266 1.00 0.00 O ATOM 1779 CB ASP A 102 -10.851 3.107 6.014 1.00 0.00 C ATOM 1780 CG ASP A 102 -11.242 4.347 6.813 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -11.010 4.345 8.046 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -11.784 5.283 6.188 1.00 0.00 O ATOM 0 H ASP A 102 -11.164 1.973 8.161 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.795 2.195 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.848 2.795 6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.809 3.362 4.955 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.727 -0.276 6.221 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.169 -1.536 5.722 1.00 0.00 C ATOM 1789 C TYR A 103 -9.005 -1.407 4.715 1.00 0.00 C ATOM 1790 O TYR A 103 -8.746 -2.356 3.967 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.321 -2.432 5.221 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.494 -2.551 6.185 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.283 -2.862 7.545 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.799 -2.282 5.730 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.356 -2.859 8.452 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.886 -2.318 6.621 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.663 -2.587 7.990 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.720 -2.640 8.846 1.00 0.00 O ATOM 0 H TYR A 103 -10.663 -0.205 7.237 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.674 -2.017 6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.685 -2.037 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.928 -3.429 5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.289 -3.104 7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.966 -2.046 4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.182 -3.064 9.498 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.888 -2.141 6.260 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.544 -2.425 8.362 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.305 -0.270 4.698 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.159 0.070 3.846 1.00 0.00 C ATOM 1810 C PHE A 104 -5.869 0.094 4.668 1.00 0.00 C ATOM 1811 O PHE A 104 -5.937 0.250 5.889 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.356 1.447 3.197 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.897 1.421 1.786 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.012 1.348 0.693 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.274 1.564 1.556 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -7.490 1.496 -0.620 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -9.748 1.690 0.243 1.00 0.00 C ATOM 1818 CZ PHE A 104 -8.864 1.670 -0.843 1.00 0.00 C ATOM 0 H PHE A 104 -8.542 0.497 5.327 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.085 -0.691 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.035 2.030 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.399 1.969 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.960 1.177 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -9.965 1.577 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.803 1.476 -1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.807 1.804 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.239 1.788 -1.849 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.715 -0.124 4.017 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.397 -0.106 4.665 1.00 0.00 C ATOM 1830 C LEU A 105 -2.481 0.853 3.897 1.00 0.00 C ATOM 1831 O LEU A 105 -2.437 0.800 2.671 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.833 -1.545 4.721 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.700 -2.163 6.128 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.461 -1.632 6.848 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -3.931 -1.944 7.010 1.00 0.00 C ATOM 0 H LEU A 105 -4.672 -0.319 3.017 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.471 0.253 5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.476 -2.190 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.850 -1.548 4.250 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.604 -3.236 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.393 -2.085 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.570 -1.883 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.535 -0.549 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.767 -2.405 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.101 -0.875 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.803 -2.396 6.537 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.769 1.753 4.577 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.858 2.712 3.941 1.00 0.00 C ATOM 1849 C TYR A 106 0.601 2.317 4.197 1.00 0.00 C ATOM 1850 O TYR A 106 0.919 1.867 5.298 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.188 4.143 4.394 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.476 4.612 5.648 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.850 5.068 5.544 1.00 0.00 C ATOM 1854 CD2 TYR A 106 -1.131 4.663 6.891 1.00 0.00 C ATOM 1855 CE1 TYR A 106 1.510 5.621 6.648 1.00 0.00 C ATOM 1856 CE2 TYR A 106 -0.446 5.142 8.023 1.00 0.00 C ATOM 1857 CZ TYR A 106 0.878 5.627 7.913 1.00 0.00 C ATOM 1858 OH TYR A 106 1.512 6.126 9.007 1.00 0.00 O ATOM 0 H TYR A 106 -1.807 1.839 5.593 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.998 2.688 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.945 4.828 3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.263 4.214 4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.367 4.991 4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.157 4.336 6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.498 6.041 6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.936 5.139 8.985 1.00 0.00 H new ATOM 0 HH TYR A 106 0.926 6.049 9.788 1.00 0.00 H new ATOM 1868 N VAL A 107 1.505 2.479 3.226 1.00 0.00 N ATOM 1869 CA VAL A 107 2.923 2.139 3.387 1.00 0.00 C ATOM 1870 C VAL A 107 3.806 3.243 2.799 1.00 0.00 C ATOM 1871 O VAL A 107 3.416 3.904 1.829 1.00 0.00 O ATOM 1872 CB VAL A 107 3.252 0.749 2.803 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.403 -0.360 3.440 1.00 0.00 C ATOM 1874 CG2 VAL A 107 3.092 0.693 1.280 1.00 0.00 C ATOM 0 H VAL A 107 1.274 2.850 2.304 1.00 0.00 H new ATOM 0 HA VAL A 107 3.139 2.075 4.453 1.00 0.00 H new ATOM 0 HB VAL A 107 4.301 0.578 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.669 -1.321 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.590 -0.390 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.347 -0.158 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.337 -0.308 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.062 0.931 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.763 1.416 0.817 1.00 0.00 H new ATOM 1884 N ALA A 108 4.970 3.474 3.409 1.00 0.00 N ATOM 1885 CA ALA A 108 5.939 4.473 2.978 1.00 0.00 C ATOM 1886 C ALA A 108 7.256 3.779 2.623 1.00 0.00 C ATOM 1887 O ALA A 108 7.620 2.814 3.304 1.00 0.00 O ATOM 1888 CB ALA A 108 6.158 5.504 4.090 1.00 0.00 C ATOM 0 H ALA A 108 5.268 2.957 4.236 1.00 0.00 H new ATOM 0 HA ALA A 108 5.562 4.993 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.884 6.247 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.213 5.997 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.533 5.003 4.982 1.00 0.00 H new ATOM 1894 N TYR A 109 7.963 4.248 1.586 1.00 0.00 N ATOM 1895 CA TYR A 109 9.257 3.681 1.170 1.00 0.00 C ATOM 1896 C TYR A 109 10.293 4.794 0.979 1.00 0.00 C ATOM 1897 O TYR A 109 9.925 5.900 0.567 1.00 0.00 O ATOM 1898 CB TYR A 109 9.122 2.774 -0.069 1.00 0.00 C ATOM 1899 CG TYR A 109 8.999 3.441 -1.434 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.800 4.072 -1.815 1.00 0.00 C ATOM 1901 CD2 TYR A 109 10.065 3.386 -2.355 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.676 4.673 -3.081 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.936 3.958 -3.636 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.744 4.625 -4.005 1.00 0.00 C ATOM 1905 OH TYR A 109 8.614 5.217 -5.232 1.00 0.00 O ATOM 0 H TYR A 109 7.655 5.032 1.010 1.00 0.00 H new ATOM 0 HA TYR A 109 9.616 3.034 1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.990 2.115 -0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.246 2.142 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.967 4.095 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.989 2.901 -2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.758 5.175 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.752 3.887 -4.340 1.00 0.00 H new ATOM 0 HH TYR A 109 9.446 5.106 -5.738 1.00 0.00 H new ATOM 1915 N SER A 110 11.578 4.505 1.240 1.00 0.00 N ATOM 1916 CA SER A 110 12.643 5.492 1.106 1.00 0.00 C ATOM 1917 C SER A 110 14.041 4.890 0.926 1.00 0.00 C ATOM 1918 O SER A 110 14.382 3.875 1.538 1.00 0.00 O ATOM 1919 CB SER A 110 12.655 6.312 2.396 1.00 0.00 C ATOM 1920 OG SER A 110 13.496 7.438 2.266 1.00 0.00 O ATOM 0 H SER A 110 11.898 3.587 1.547 1.00 0.00 H new ATOM 0 HA SER A 110 12.435 6.076 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.642 6.635 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.997 5.691 3.224 1.00 0.00 H new ATOM 0 HG SER A 110 14.127 7.463 3.015 1.00 0.00 H new ATOM 1926 N ASP A 111 14.863 5.547 0.098 1.00 0.00 N ATOM 1927 CA ASP A 111 16.262 5.190 -0.198 1.00 0.00 C ATOM 1928 C ASP A 111 17.145 5.595 1.004 1.00 0.00 C ATOM 1929 O ASP A 111 18.252 5.088 1.178 1.00 0.00 O ATOM 1930 CB ASP A 111 16.690 5.859 -1.520 1.00 0.00 C ATOM 1931 CG ASP A 111 18.186 5.830 -1.869 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.944 6.648 -1.304 1.00 0.00 O ATOM 1933 OD2 ASP A 111 18.563 5.152 -2.855 1.00 0.00 O ATOM 0 H ASP A 111 14.560 6.379 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 111 16.377 4.115 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.144 5.381 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.370 6.901 -1.491 1.00 0.00 H new ATOM 1938 N GLU A 112 16.623 6.414 1.928 1.00 0.00 N ATOM 1939 CA GLU A 112 17.295 6.888 3.139 1.00 0.00 C ATOM 1940 C GLU A 112 16.376 6.637 4.339 1.00 0.00 C ATOM 1941 O GLU A 112 15.154 6.759 4.217 1.00 0.00 O ATOM 1942 CB GLU A 112 17.656 8.364 2.939 1.00 0.00 C ATOM 1943 CG GLU A 112 18.385 9.010 4.122 1.00 0.00 C ATOM 1944 CD GLU A 112 19.094 10.287 3.666 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.137 10.171 2.975 1.00 0.00 O ATOM 1946 OE2 GLU A 112 18.609 11.408 3.942 1.00 0.00 O ATOM 0 H GLU A 112 15.675 6.780 1.844 1.00 0.00 H new ATOM 0 HA GLU A 112 18.223 6.352 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.282 8.454 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.742 8.924 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.674 9.242 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.110 8.311 4.539 1.00 0.00 H new ATOM 1953 N SER A 113 16.940 6.277 5.491 1.00 0.00 N ATOM 1954 CA SER A 113 16.188 5.985 6.705 1.00 0.00 C ATOM 1955 C SER A 113 15.500 7.242 7.250 1.00 0.00 C ATOM 1956 O SER A 113 16.111 8.027 7.978 1.00 0.00 O ATOM 1957 CB SER A 113 17.120 5.321 7.740 1.00 0.00 C ATOM 1958 OG SER A 113 18.494 5.669 7.576 1.00 0.00 O ATOM 0 H SER A 113 17.949 6.179 5.606 1.00 0.00 H new ATOM 0 HA SER A 113 15.388 5.282 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.799 5.606 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.017 4.238 7.668 1.00 0.00 H new ATOM 0 HG SER A 113 19.030 5.218 8.262 1.00 0.00 H new ATOM 1964 N VAL A 114 14.208 7.395 6.954 1.00 0.00 N ATOM 1965 CA VAL A 114 13.354 8.502 7.366 1.00 0.00 C ATOM 1966 C VAL A 114 11.975 7.906 7.636 1.00 0.00 C ATOM 1967 O VAL A 114 11.485 7.090 6.849 1.00 0.00 O ATOM 1968 CB VAL A 114 13.324 9.589 6.267 1.00 0.00 C ATOM 1969 CG1 VAL A 114 12.356 10.734 6.601 1.00 0.00 C ATOM 1970 CG2 VAL A 114 14.718 10.201 6.069 1.00 0.00 C ATOM 0 H VAL A 114 13.705 6.710 6.389 1.00 0.00 H new ATOM 0 HA VAL A 114 13.725 8.994 8.265 1.00 0.00 H new ATOM 0 HB VAL A 114 12.987 9.088 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.373 11.470 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.347 10.337 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.661 11.208 7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.674 10.963 5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.052 10.654 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 114 15.419 9.421 5.773 1.00 0.00 H new ATOM 1980 N TYR A 115 11.396 8.267 8.783 1.00 0.00 N ATOM 1981 CA TYR A 115 10.088 7.809 9.227 1.00 0.00 C ATOM 1982 C TYR A 115 8.941 8.423 8.425 1.00 0.00 C ATOM 1983 O TYR A 115 7.775 8.201 8.819 1.00 0.00 O ATOM 1984 CB TYR A 115 9.948 8.037 10.744 1.00 0.00 C ATOM 1985 CG TYR A 115 10.190 9.430 11.309 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.967 10.602 10.554 1.00 0.00 C ATOM 1987 CD2 TYR A 115 10.618 9.546 12.647 1.00 0.00 C ATOM 1988 CE1 TYR A 115 10.199 11.864 11.124 1.00 0.00 C ATOM 1989 CE2 TYR A 115 10.845 10.809 13.223 1.00 0.00 C ATOM 1990 CZ TYR A 115 10.640 11.978 12.457 1.00 0.00 C ATOM 1991 OH TYR A 115 10.869 13.212 12.971 1.00 0.00 O ATOM 0 H TYR A 115 11.841 8.904 9.444 1.00 0.00 H new ATOM 0 HA TYR A 115 10.017 6.738 9.035 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.940 7.737 11.030 1.00 0.00 H new ATOM 0 HB3 TYR A 115 10.637 7.356 11.244 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.617 10.528 9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 115 10.773 8.655 13.237 1.00 0.00 H new ATOM 0 HE1 TYR A 115 10.038 12.755 10.535 1.00 0.00 H new ATOM 0 HE2 TYR A 115 11.175 10.885 14.248 1.00 0.00 H new ATOM 0 HH TYR A 115 11.167 13.129 13.901 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -23.814 7.242 0.610 1.00 0.00 N ATOM 2003 CA GLY B 722 -24.892 6.808 -0.281 1.00 0.00 C ATOM 2004 C GLY B 722 -24.914 5.299 -0.442 1.00 0.00 C ATOM 2005 O GLY B 722 -24.146 4.575 0.203 1.00 0.00 O ATOM 0 HA2 GLY B 722 -25.850 7.146 0.115 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -24.768 7.276 -1.257 1.00 0.00 H new ATOM 2009 N ALA B 723 -25.836 4.814 -1.272 1.00 0.00 N ATOM 2010 CA ALA B 723 -26.029 3.407 -1.599 1.00 0.00 C ATOM 2011 C ALA B 723 -24.974 2.976 -2.631 1.00 0.00 C ATOM 2012 O ALA B 723 -23.975 3.671 -2.838 1.00 0.00 O ATOM 2013 CB ALA B 723 -27.462 3.221 -2.123 1.00 0.00 C ATOM 0 H ALA B 723 -26.498 5.421 -1.756 1.00 0.00 H new ATOM 0 HA ALA B 723 -25.902 2.777 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -27.625 2.173 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -28.173 3.525 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -27.606 3.833 -3.013 1.00 0.00 H new ATOM 2019 N MET B 724 -25.120 1.783 -3.208 1.00 0.00 N ATOM 2020 CA MET B 724 -24.202 1.271 -4.225 1.00 0.00 C ATOM 2021 C MET B 724 -24.701 1.773 -5.585 1.00 0.00 C ATOM 2022 O MET B 724 -25.917 1.823 -5.809 1.00 0.00 O ATOM 2023 CB MET B 724 -24.117 -0.262 -4.153 1.00 0.00 C ATOM 2024 CG MET B 724 -25.450 -0.988 -4.378 1.00 0.00 C ATOM 2025 SD MET B 724 -25.337 -2.794 -4.291 1.00 0.00 S ATOM 2026 CE MET B 724 -25.300 -3.047 -2.499 1.00 0.00 C ATOM 0 H MET B 724 -25.881 1.143 -2.982 1.00 0.00 H new ATOM 0 HA MET B 724 -23.187 1.633 -4.061 1.00 0.00 H new ATOM 0 HB2 MET B 724 -23.400 -0.608 -4.897 1.00 0.00 H new ATOM 0 HB3 MET B 724 -23.725 -0.545 -3.176 1.00 0.00 H new ATOM 0 HG2 MET B 724 -26.168 -0.644 -3.634 1.00 0.00 H new ATOM 0 HG3 MET B 724 -25.844 -0.707 -5.355 1.00 0.00 H new ATOM 0 HE1 MET B 724 -25.231 -4.113 -2.283 1.00 0.00 H new ATOM 0 HE2 MET B 724 -24.435 -2.535 -2.077 1.00 0.00 H new ATOM 0 HE3 MET B 724 -26.211 -2.645 -2.056 1.00 0.00 H new ATOM 2036 N GLY B 725 -23.802 2.122 -6.504 1.00 0.00 N ATOM 2037 CA GLY B 725 -24.143 2.625 -7.834 1.00 0.00 C ATOM 2038 C GLY B 725 -23.560 1.804 -8.984 1.00 0.00 C ATOM 2039 O GLY B 725 -23.968 2.009 -10.131 1.00 0.00 O ATOM 0 H GLY B 725 -22.797 2.062 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -25.228 2.649 -7.934 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -23.792 3.653 -7.922 1.00 0.00 H new ATOM 2043 N SER B 726 -22.625 0.895 -8.711 1.00 0.00 N ATOM 2044 CA SER B 726 -21.977 0.024 -9.689 1.00 0.00 C ATOM 2045 C SER B 726 -21.957 -1.394 -9.121 1.00 0.00 C ATOM 2046 O SER B 726 -22.106 -1.572 -7.905 1.00 0.00 O ATOM 2047 CB SER B 726 -20.550 0.526 -9.965 1.00 0.00 C ATOM 2048 OG SER B 726 -20.571 1.855 -10.452 1.00 0.00 O ATOM 0 H SER B 726 -22.284 0.739 -7.762 1.00 0.00 H new ATOM 0 HA SER B 726 -22.522 0.030 -10.633 1.00 0.00 H new ATOM 0 HB2 SER B 726 -19.959 0.478 -9.050 1.00 0.00 H new ATOM 0 HB3 SER B 726 -20.065 -0.125 -10.692 1.00 0.00 H new ATOM 0 HG SER B 726 -19.654 2.156 -10.620 1.00 0.00 H new ATOM 2054 N ALA B 727 -21.843 -2.405 -9.978 1.00 0.00 N ATOM 2055 CA ALA B 727 -21.790 -3.802 -9.569 1.00 0.00 C ATOM 2056 C ALA B 727 -20.338 -4.181 -9.283 1.00 0.00 C ATOM 2057 O ALA B 727 -20.054 -4.860 -8.290 1.00 0.00 O ATOM 2058 CB ALA B 727 -22.352 -4.687 -10.679 1.00 0.00 C ATOM 0 H ALA B 727 -21.784 -2.274 -10.988 1.00 0.00 H new ATOM 0 HA ALA B 727 -22.389 -3.946 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -22.310 -5.731 -10.368 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -23.387 -4.409 -10.877 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -21.761 -4.554 -11.585 1.00 0.00 H new ATOM 2064 N SER B 728 -19.436 -3.757 -10.168 1.00 0.00 N ATOM 2065 CA SER B 728 -18.005 -3.981 -10.113 1.00 0.00 C ATOM 2066 C SER B 728 -17.391 -3.352 -8.857 1.00 0.00 C ATOM 2067 O SER B 728 -18.048 -2.609 -8.118 1.00 0.00 O ATOM 2068 CB SER B 728 -17.384 -3.395 -11.398 1.00 0.00 C ATOM 2069 OG SER B 728 -18.003 -2.173 -11.774 1.00 0.00 O ATOM 0 H SER B 728 -19.709 -3.216 -10.989 1.00 0.00 H new ATOM 0 HA SER B 728 -17.797 -5.049 -10.055 1.00 0.00 H new ATOM 0 HB2 SER B 728 -16.318 -3.230 -11.244 1.00 0.00 H new ATOM 0 HB3 SER B 728 -17.481 -4.116 -12.210 1.00 0.00 H new ATOM 0 HG SER B 728 -17.583 -1.831 -12.591 1.00 0.00 H new ATOM 2075 N SER B 729 -16.137 -3.689 -8.582 1.00 0.00 N ATOM 2076 CA SER B 729 -15.365 -3.177 -7.465 1.00 0.00 C ATOM 2077 C SER B 729 -14.345 -2.191 -8.048 1.00 0.00 C ATOM 2078 O SER B 729 -14.146 -2.158 -9.264 1.00 0.00 O ATOM 2079 CB SER B 729 -14.720 -4.368 -6.746 1.00 0.00 C ATOM 2080 OG SER B 729 -14.175 -3.974 -5.505 1.00 0.00 O ATOM 0 H SER B 729 -15.614 -4.351 -9.154 1.00 0.00 H new ATOM 0 HA SER B 729 -15.966 -2.648 -6.725 1.00 0.00 H new ATOM 0 HB2 SER B 729 -15.464 -5.149 -6.589 1.00 0.00 H new ATOM 0 HB3 SER B 729 -13.937 -4.795 -7.372 1.00 0.00 H new ATOM 0 HG SER B 729 -14.211 -4.727 -4.878 1.00 0.00 H new ATOM 2086 N GLU B 730 -13.697 -1.369 -7.217 1.00 0.00 N ATOM 2087 CA GLU B 730 -12.704 -0.436 -7.750 1.00 0.00 C ATOM 2088 C GLU B 730 -11.510 -1.248 -8.281 1.00 0.00 C ATOM 2089 O GLU B 730 -11.286 -2.379 -7.830 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.322 0.619 -6.697 1.00 0.00 C ATOM 2091 CG GLU B 730 -11.485 1.773 -7.279 1.00 0.00 C ATOM 2092 CD GLU B 730 -12.108 2.338 -8.559 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -13.149 3.032 -8.486 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -11.630 2.004 -9.669 1.00 0.00 O ATOM 0 H GLU B 730 -13.835 -1.330 -6.207 1.00 0.00 H new ATOM 0 HA GLU B 730 -13.114 0.133 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.230 1.025 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.761 0.138 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -11.395 2.567 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -10.476 1.419 -7.491 1.00 0.00 H new ATOM 2101 N ASP B 731 -10.770 -0.708 -9.252 1.00 0.00 N ATOM 2102 CA ASP B 731 -9.619 -1.354 -9.877 1.00 0.00 C ATOM 2103 C ASP B 731 -8.304 -0.690 -9.487 1.00 0.00 C ATOM 2104 O ASP B 731 -8.139 0.515 -9.668 1.00 0.00 O ATOM 2105 CB ASP B 731 -9.727 -1.361 -11.403 1.00 0.00 C ATOM 2106 CG ASP B 731 -8.522 -2.106 -11.974 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -8.493 -3.357 -11.856 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -7.573 -1.448 -12.449 1.00 0.00 O ATOM 0 H ASP B 731 -10.963 0.218 -9.635 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.624 -2.380 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.653 -1.845 -11.714 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.756 -0.340 -11.785 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.391 -1.491 -8.939 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.045 -1.140 -8.501 1.00 0.00 C ATOM 2115 C TYR B 732 -5.104 -2.224 -9.033 1.00 0.00 C ATOM 2116 O TYR B 732 -5.579 -3.196 -9.632 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.001 -0.956 -6.973 1.00 0.00 C ATOM 2118 CG TYR B 732 -6.799 0.231 -6.449 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -6.822 1.442 -7.169 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.509 0.145 -5.232 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -7.557 2.538 -6.705 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.197 1.269 -4.731 1.00 0.00 C ATOM 2123 CZ TYR B 732 -8.205 2.483 -5.459 1.00 0.00 C ATOM 2124 OH TYR B 732 -8.709 3.642 -4.954 1.00 0.00 O ATOM 0 H TYR B 732 -7.591 -2.478 -8.778 1.00 0.00 H new ATOM 0 HA TYR B 732 -5.721 -0.179 -8.900 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.375 -1.864 -6.501 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -4.962 -0.842 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -6.265 1.525 -8.091 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.525 -0.785 -4.683 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -7.627 3.432 -7.308 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -8.720 1.204 -3.788 1.00 0.00 H new ATOM 0 HH TYR B 732 -9.074 3.478 -4.060 1.00 0.00 H new ATOM 2134 N ILE B 733 -3.795 -2.133 -8.788 1.00 0.00 N ATOM 2135 CA ILE B 733 -2.880 -3.134 -9.331 1.00 0.00 C ATOM 2136 C ILE B 733 -2.897 -4.314 -8.366 1.00 0.00 C ATOM 2137 O ILE B 733 -2.628 -4.133 -7.184 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.474 -2.513 -9.517 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -1.421 -1.466 -10.652 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.435 -3.579 -9.917 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.293 -0.211 -10.538 1.00 0.00 C ATOM 0 H ILE B 733 -3.356 -1.398 -8.233 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.182 -3.483 -10.319 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.254 -2.055 -8.553 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -0.386 -1.141 -10.753 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.689 -1.971 -11.580 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.541 -3.108 -10.039 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.376 -4.340 -9.139 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -0.734 -4.044 -10.857 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -2.139 0.420 -11.414 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -3.342 -0.501 -10.479 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -2.019 0.342 -9.640 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.286 -5.498 -8.846 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.347 -6.726 -8.054 1.00 0.00 C ATOM 2155 C ILE B 734 -1.994 -7.414 -8.249 1.00 0.00 C ATOM 2156 O ILE B 734 -1.575 -7.578 -9.399 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.515 -7.641 -8.504 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.813 -6.908 -8.924 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.819 -8.672 -7.404 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.443 -5.995 -7.870 1.00 0.00 C ATOM 0 H ILE B 734 -3.573 -5.631 -9.816 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.536 -6.507 -7.003 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.165 -8.128 -9.414 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.598 -6.311 -9.810 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -6.551 -7.656 -9.215 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -5.640 -9.313 -7.723 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.933 -9.281 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -5.099 -8.154 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.344 -5.537 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.701 -6.581 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -5.733 -5.215 -7.593 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.324 -7.824 -7.170 1.00 0.00 N ATOM 2173 CA ILE B 735 -0.016 -8.469 -7.209 1.00 0.00 C ATOM 2174 C ILE B 735 -0.098 -9.744 -6.378 1.00 0.00 C ATOM 2175 O ILE B 735 -0.339 -9.689 -5.173 1.00 0.00 O ATOM 2176 CB ILE B 735 1.097 -7.514 -6.699 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.038 -6.104 -7.317 1.00 0.00 C ATOM 2178 CG2 ILE B 735 2.479 -8.123 -6.982 1.00 0.00 C ATOM 2179 CD1 ILE B 735 0.200 -5.163 -6.446 1.00 0.00 C ATOM 0 H ILE B 735 -1.687 -7.713 -6.223 1.00 0.00 H new ATOM 0 HA ILE B 735 0.250 -8.721 -8.236 1.00 0.00 H new ATOM 0 HB ILE B 735 0.928 -7.401 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.047 -5.706 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE B 735 0.610 -6.158 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE B 735 3.255 -7.448 -6.622 1.00 0.00 H new ATOM 0 HG22 ILE B 735 2.566 -9.082 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE B 735 2.598 -8.272 -8.055 1.00 0.00 H new ATOM 0 HD11 ILE B 735 0.172 -4.173 -6.902 1.00 0.00 H new ATOM 0 HD12 ILE B 735 -0.815 -5.552 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE B 735 0.645 -5.093 -5.454 1.00 0.00 H new ATOM 2191 N LEU B 736 0.113 -10.890 -7.017 1.00 0.00 N ATOM 2192 CA LEU B 736 0.078 -12.220 -6.417 1.00 0.00 C ATOM 2193 C LEU B 736 1.188 -13.068 -7.057 1.00 0.00 C ATOM 2194 O LEU B 736 1.591 -12.760 -8.191 1.00 0.00 O ATOM 2195 CB LEU B 736 -1.322 -12.849 -6.598 1.00 0.00 C ATOM 2196 CG LEU B 736 -1.866 -12.808 -8.044 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -2.628 -14.083 -8.384 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -2.799 -11.610 -8.268 1.00 0.00 C ATOM 0 H LEU B 736 0.323 -10.918 -8.015 1.00 0.00 H new ATOM 0 HA LEU B 736 0.259 -12.166 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU B 736 -1.284 -13.887 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -2.025 -12.332 -5.945 1.00 0.00 H new ATOM 0 HG LEU B 736 -0.997 -12.713 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -2.998 -14.024 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU B 736 -1.963 -14.941 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -3.469 -14.198 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -3.160 -11.617 -9.296 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -3.646 -11.676 -7.586 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -2.254 -10.685 -8.081 1.00 0.00 H new ATOM 2210 N PRO B 737 1.699 -14.111 -6.375 1.00 0.00 N ATOM 2211 CA PRO B 737 2.752 -14.972 -6.907 1.00 0.00 C ATOM 2212 C PRO B 737 2.264 -15.766 -8.127 1.00 0.00 C ATOM 2213 O PRO B 737 1.078 -15.751 -8.469 1.00 0.00 O ATOM 2214 CB PRO B 737 3.168 -15.875 -5.739 1.00 0.00 C ATOM 2215 CG PRO B 737 1.906 -15.960 -4.886 1.00 0.00 C ATOM 2216 CD PRO B 737 1.310 -14.562 -5.043 1.00 0.00 C ATOM 0 HA PRO B 737 3.604 -14.399 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO B 737 3.485 -16.859 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO B 737 4.002 -15.450 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO B 737 1.226 -16.734 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO B 737 2.134 -16.190 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO B 737 0.225 -14.586 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO B 737 1.689 -13.887 -4.276 1.00 0.00 H new ATOM 2224 N GLU B 738 3.185 -16.449 -8.803 1.00 0.00 N ATOM 2225 CA GLU B 738 2.918 -17.258 -9.990 1.00 0.00 C ATOM 2226 C GLU B 738 3.211 -18.742 -9.737 1.00 0.00 C ATOM 2227 O GLU B 738 3.357 -19.524 -10.682 1.00 0.00 O ATOM 2228 CB GLU B 738 3.667 -16.689 -11.207 1.00 0.00 C ATOM 2229 CG GLU B 738 5.196 -16.689 -11.100 1.00 0.00 C ATOM 2230 CD GLU B 738 5.845 -16.659 -12.483 1.00 0.00 C ATOM 2231 OE1 GLU B 738 5.833 -15.597 -13.152 1.00 0.00 O ATOM 2232 OE2 GLU B 738 6.403 -17.697 -12.908 1.00 0.00 O ATOM 0 H GLU B 738 4.168 -16.455 -8.531 1.00 0.00 H new ATOM 0 HA GLU B 738 1.854 -17.204 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU B 738 3.382 -17.264 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU B 738 3.332 -15.665 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU B 738 5.523 -15.824 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU B 738 5.526 -17.576 -10.559 1.00 0.00 H new ATOM 2239 N SER B 739 3.341 -19.132 -8.471 1.00 0.00 N ATOM 2240 CA SER B 739 3.612 -20.472 -7.996 1.00 0.00 C ATOM 2241 C SER B 739 3.070 -20.496 -6.577 1.00 0.00 C ATOM 2242 O SER B 739 2.476 -21.525 -6.197 1.00 0.00 O ATOM 2243 CB SER B 739 5.124 -20.698 -8.082 1.00 0.00 C ATOM 2244 OG SER B 739 5.536 -22.002 -7.726 1.00 0.00 O ATOM 0 H SER B 739 3.252 -18.468 -7.702 1.00 0.00 H new ATOM 0 HA SER B 739 3.147 -21.272 -8.573 1.00 0.00 H new ATOM 0 HB2 SER B 739 5.454 -20.490 -9.100 1.00 0.00 H new ATOM 0 HB3 SER B 739 5.625 -19.981 -7.432 1.00 0.00 H new ATOM 0 HG SER B 739 6.510 -22.071 -7.807 1.00 0.00 H new TER 2250 SER B 739