USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0381 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.415 K(o=-0.41,f=-7.5!) USER MOD Single : A 14 GLN : amide:sc= -0.825 K(o=-0.82,f=-2.4!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.179 F(o=-0.74,f=-0.18) USER MOD Single : A 21 GLN : amide:sc= -0.549 K(o=-0.55,f=-2.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.652 K(o=-0.65,f=-7.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 37:sc= 0.315 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -167:sc= -3.53 (180deg=-3.91!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -111:sc= -0.264 USER MOD Single : A 62 LYS NZ :NH3+ 174:sc=-0.00133 (180deg=-0.0249) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.04! C(o=-3!,f=-4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.101 USER MOD Single : A 83 ASN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 0:sc= -0.0285 USER MOD Single : A 90 CYS SG : rot 31:sc= 0.118 USER MOD Single : A 91 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.38) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0172 (180deg=-0.209) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0167 USER MOD Single : A 99 LYS NZ :NH3+ -138:sc= 1.4 (180deg=0.396) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 25:sc= 0.148 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.023 -11.835 -0.712 1.00 0.00 N ATOM 2 CA GLY A 1 -22.188 -12.755 -0.834 1.00 0.00 C ATOM 3 C GLY A 1 -22.169 -13.856 0.209 1.00 0.00 C ATOM 4 O GLY A 1 -21.572 -13.701 1.274 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.328 -10.860 -0.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.637 -11.889 0.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.289 -12.112 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.111 -12.183 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.192 -13.201 -1.829 1.00 0.00 H new ATOM 10 N SER A 2 -22.825 -14.970 -0.099 1.00 0.00 N ATOM 11 CA SER A 2 -22.881 -16.101 0.820 1.00 0.00 C ATOM 12 C SER A 2 -21.517 -16.773 0.941 1.00 0.00 C ATOM 13 O SER A 2 -21.246 -17.774 0.276 1.00 0.00 O ATOM 14 CB SER A 2 -23.923 -17.116 0.348 1.00 0.00 C ATOM 15 OG SER A 2 -25.181 -16.879 0.957 1.00 0.00 O ATOM 0 H SER A 2 -23.325 -15.114 -0.977 1.00 0.00 H new ATOM 0 HA SER A 2 -23.168 -15.725 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.024 -17.060 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.585 -18.125 0.585 1.00 0.00 H new ATOM 0 HG SER A 2 -25.829 -17.541 0.637 1.00 0.00 H new ATOM 21 N SER A 3 -20.661 -16.216 1.791 1.00 0.00 N ATOM 22 CA SER A 3 -19.325 -16.762 1.999 1.00 0.00 C ATOM 23 C SER A 3 -19.123 -17.169 3.455 1.00 0.00 C ATOM 24 O SER A 3 -19.224 -16.342 4.361 1.00 0.00 O ATOM 25 CB SER A 3 -18.264 -15.736 1.592 1.00 0.00 C ATOM 26 OG SER A 3 -17.042 -16.372 1.257 1.00 0.00 O ATOM 0 H SER A 3 -20.869 -15.387 2.347 1.00 0.00 H new ATOM 0 HA SER A 3 -19.221 -17.650 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.621 -15.157 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.100 -15.034 2.409 1.00 0.00 H new ATOM 0 HG SER A 3 -16.381 -15.696 0.999 1.00 0.00 H new ATOM 32 N GLY A 4 -18.838 -18.448 3.672 1.00 0.00 N ATOM 33 CA GLY A 4 -18.627 -18.944 5.020 1.00 0.00 C ATOM 34 C GLY A 4 -17.189 -19.351 5.270 1.00 0.00 C ATOM 35 O GLY A 4 -16.617 -19.029 6.311 1.00 0.00 O ATOM 0 H GLY A 4 -18.749 -19.151 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.913 -18.174 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.279 -19.800 5.195 1.00 0.00 H new ATOM 39 N SER A 5 -16.602 -20.063 4.312 1.00 0.00 N ATOM 40 CA SER A 5 -15.221 -20.515 4.434 1.00 0.00 C ATOM 41 C SER A 5 -14.412 -20.129 3.200 1.00 0.00 C ATOM 42 O SER A 5 -14.765 -20.485 2.076 1.00 0.00 O ATOM 43 CB SER A 5 -15.174 -22.031 4.634 1.00 0.00 C ATOM 44 OG SER A 5 -15.165 -22.364 6.011 1.00 0.00 O ATOM 0 H SER A 5 -17.061 -20.339 3.444 1.00 0.00 H new ATOM 0 HA SER A 5 -14.781 -20.027 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.036 -22.491 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.284 -22.437 4.153 1.00 0.00 H new ATOM 0 HG SER A 5 -15.137 -23.338 6.112 1.00 0.00 H new ATOM 50 N SER A 6 -13.324 -19.397 3.418 1.00 0.00 N ATOM 51 CA SER A 6 -12.464 -18.962 2.324 1.00 0.00 C ATOM 52 C SER A 6 -11.214 -19.832 2.235 1.00 0.00 C ATOM 53 O SER A 6 -11.058 -20.790 2.992 1.00 0.00 O ATOM 54 CB SER A 6 -12.066 -17.497 2.510 1.00 0.00 C ATOM 55 OG SER A 6 -11.495 -17.281 3.790 1.00 0.00 O ATOM 0 H SER A 6 -13.017 -19.093 4.342 1.00 0.00 H new ATOM 0 HA SER A 6 -13.024 -19.064 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.353 -17.210 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.942 -16.861 2.387 1.00 0.00 H new ATOM 0 HG SER A 6 -11.248 -16.337 3.883 1.00 0.00 H new ATOM 61 N GLY A 7 -10.327 -19.492 1.305 1.00 0.00 N ATOM 62 CA GLY A 7 -9.103 -20.252 1.135 1.00 0.00 C ATOM 63 C GLY A 7 -8.907 -20.724 -0.293 1.00 0.00 C ATOM 64 O GLY A 7 -9.328 -21.823 -0.654 1.00 0.00 O ATOM 0 H GLY A 7 -10.434 -18.704 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.253 -19.637 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.119 -21.115 1.801 1.00 0.00 H new ATOM 68 N ASN A 8 -8.267 -19.891 -1.107 1.00 0.00 N ATOM 69 CA ASN A 8 -8.015 -20.228 -2.503 1.00 0.00 C ATOM 70 C ASN A 8 -6.879 -21.239 -2.624 1.00 0.00 C ATOM 71 O ASN A 8 -5.718 -20.914 -2.377 1.00 0.00 O ATOM 72 CB ASN A 8 -7.678 -18.967 -3.301 1.00 0.00 C ATOM 73 CG ASN A 8 -7.888 -19.151 -4.791 1.00 0.00 C ATOM 74 OD1 ASN A 8 -6.931 -19.315 -5.549 1.00 0.00 O ATOM 75 ND2 ASN A 8 -9.145 -19.123 -5.220 1.00 0.00 N ATOM 0 H ASN A 8 -7.913 -18.977 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.921 -20.677 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.297 -18.142 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.641 -18.689 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.348 -19.240 -6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.907 -18.985 -4.557 1.00 0.00 H new ATOM 82 N GLU A 9 -7.221 -22.465 -3.006 1.00 0.00 N ATOM 83 CA GLU A 9 -6.228 -23.523 -3.158 1.00 0.00 C ATOM 84 C GLU A 9 -5.436 -23.342 -4.448 1.00 0.00 C ATOM 85 O GLU A 9 -4.262 -23.706 -4.524 1.00 0.00 O ATOM 86 CB GLU A 9 -6.907 -24.894 -3.151 1.00 0.00 C ATOM 87 CG GLU A 9 -6.102 -25.966 -2.432 1.00 0.00 C ATOM 88 CD GLU A 9 -6.840 -26.555 -1.245 1.00 0.00 C ATOM 89 OE1 GLU A 9 -8.089 -26.567 -1.269 1.00 0.00 O ATOM 90 OE2 GLU A 9 -6.170 -27.003 -0.291 1.00 0.00 O ATOM 0 H GLU A 9 -8.177 -22.751 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.538 -23.463 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.884 -24.804 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.081 -25.210 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.857 -26.763 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.158 -25.539 -2.092 1.00 0.00 H new ATOM 97 N GLU A 10 -6.084 -22.776 -5.462 1.00 0.00 N ATOM 98 CA GLU A 10 -5.438 -22.546 -6.749 1.00 0.00 C ATOM 99 C GLU A 10 -4.221 -21.641 -6.593 1.00 0.00 C ATOM 100 O GLU A 10 -3.208 -21.823 -7.269 1.00 0.00 O ATOM 101 CB GLU A 10 -6.427 -21.924 -7.736 1.00 0.00 C ATOM 102 CG GLU A 10 -7.556 -22.860 -8.137 1.00 0.00 C ATOM 103 CD GLU A 10 -7.355 -23.459 -9.515 1.00 0.00 C ATOM 104 OE1 GLU A 10 -6.456 -24.314 -9.666 1.00 0.00 O ATOM 105 OE2 GLU A 10 -8.096 -23.074 -10.444 1.00 0.00 O ATOM 0 H GLU A 10 -7.055 -22.469 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.105 -23.509 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.853 -21.024 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.888 -21.614 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.635 -23.663 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.500 -22.315 -8.116 1.00 0.00 H new ATOM 112 N LEU A 11 -4.325 -20.666 -5.696 1.00 0.00 N ATOM 113 CA LEU A 11 -3.232 -19.733 -5.449 1.00 0.00 C ATOM 114 C LEU A 11 -2.435 -20.143 -4.214 1.00 0.00 C ATOM 115 O LEU A 11 -1.864 -19.301 -3.522 1.00 0.00 O ATOM 116 CB LEU A 11 -3.776 -18.312 -5.276 1.00 0.00 C ATOM 117 CG LEU A 11 -3.743 -17.449 -6.538 1.00 0.00 C ATOM 118 CD1 LEU A 11 -4.718 -17.985 -7.576 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.065 -16.001 -6.200 1.00 0.00 C ATOM 0 H LEU A 11 -5.156 -20.501 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.565 -19.755 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.805 -18.374 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.201 -17.812 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.738 -17.489 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.681 -17.359 -8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.444 -19.007 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.728 -17.974 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.037 -15.400 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.059 -15.943 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.329 -15.621 -5.491 1.00 0.00 H new ATOM 131 N ARG A 12 -2.401 -21.445 -3.943 1.00 0.00 N ATOM 132 CA ARG A 12 -1.674 -21.968 -2.791 1.00 0.00 C ATOM 133 C ARG A 12 -0.256 -22.373 -3.181 1.00 0.00 C ATOM 134 O ARG A 12 0.665 -22.303 -2.369 1.00 0.00 O ATOM 135 CB ARG A 12 -2.415 -23.167 -2.198 1.00 0.00 C ATOM 136 CG ARG A 12 -2.328 -23.247 -0.682 1.00 0.00 C ATOM 137 CD ARG A 12 -3.032 -24.485 -0.148 1.00 0.00 C ATOM 138 NE ARG A 12 -2.089 -25.544 0.201 1.00 0.00 N ATOM 139 CZ ARG A 12 -1.402 -25.581 1.341 1.00 0.00 C ATOM 140 NH1 ARG A 12 -1.548 -24.618 2.244 1.00 0.00 N ATOM 141 NH2 ARG A 12 -0.567 -26.582 1.579 1.00 0.00 N ATOM 0 H ARG A 12 -2.868 -22.156 -4.505 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.613 -21.179 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.464 -23.117 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.008 -24.083 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.282 -23.262 -0.377 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.775 -22.355 -0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.618 -24.218 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.732 -24.855 -0.897 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.948 -26.301 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.189 -23.845 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.019 -24.652 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.451 -27.324 0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.041 -26.610 2.452 1.00 0.00 H new ATOM 155 N ALA A 13 -0.090 -22.795 -4.431 1.00 0.00 N ATOM 156 CA ALA A 13 1.215 -23.209 -4.930 1.00 0.00 C ATOM 157 C ALA A 13 1.528 -22.548 -6.269 1.00 0.00 C ATOM 158 O ALA A 13 2.322 -23.064 -7.057 1.00 0.00 O ATOM 159 CB ALA A 13 1.271 -24.724 -5.062 1.00 0.00 C ATOM 0 H ALA A 13 -0.843 -22.859 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 13 1.970 -22.888 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.251 -25.021 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.101 -25.181 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.501 -25.057 -5.758 1.00 0.00 H new ATOM 165 N GLN A 14 0.900 -21.403 -6.521 1.00 0.00 N ATOM 166 CA GLN A 14 1.113 -20.673 -7.765 1.00 0.00 C ATOM 167 C GLN A 14 1.901 -19.391 -7.511 1.00 0.00 C ATOM 168 O GLN A 14 2.656 -18.934 -8.369 1.00 0.00 O ATOM 169 CB GLN A 14 -0.228 -20.339 -8.421 1.00 0.00 C ATOM 170 CG GLN A 14 -0.092 -19.660 -9.773 1.00 0.00 C ATOM 171 CD GLN A 14 -0.079 -20.648 -10.925 1.00 0.00 C ATOM 172 OE1 GLN A 14 -0.398 -21.824 -10.751 1.00 0.00 O ATOM 173 NE2 GLN A 14 0.292 -20.173 -12.108 1.00 0.00 N ATOM 0 H GLN A 14 0.240 -20.962 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 14 1.690 -21.308 -8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.803 -21.257 -8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.798 -19.692 -7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.917 -18.961 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.828 -19.075 -9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.548 -19.191 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.321 -20.791 -12.919 1.00 0.00 H new ATOM 182 N GLN A 15 1.720 -18.817 -6.326 1.00 0.00 N ATOM 183 CA GLN A 15 2.414 -17.590 -5.956 1.00 0.00 C ATOM 184 C GLN A 15 3.643 -17.895 -5.105 1.00 0.00 C ATOM 185 O GLN A 15 4.058 -17.079 -4.281 1.00 0.00 O ATOM 186 CB GLN A 15 1.472 -16.658 -5.194 1.00 0.00 C ATOM 187 CG GLN A 15 0.305 -16.155 -6.028 1.00 0.00 C ATOM 188 CD GLN A 15 -0.333 -14.909 -5.445 1.00 0.00 C ATOM 189 OE1 GLN A 15 -1.193 -15.094 -4.450 1.00 0.00 O flip ATOM 190 NE2 GLN A 15 -0.056 -13.793 -5.886 1.00 0.00 N flip ATOM 0 H GLN A 15 1.098 -19.183 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 15 2.741 -17.097 -6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.084 -17.182 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.040 -15.803 -4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.651 -15.942 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.446 -16.941 -6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.611 -13.698 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.493 -12.963 -5.485 1.00 0.00 H new ATOM 199 N GLU A 16 4.223 -19.074 -5.310 1.00 0.00 N ATOM 200 CA GLU A 16 5.404 -19.485 -4.561 1.00 0.00 C ATOM 201 C GLU A 16 6.673 -19.236 -5.370 1.00 0.00 C ATOM 202 O GLU A 16 7.489 -18.385 -5.017 1.00 0.00 O ATOM 203 CB GLU A 16 5.307 -20.965 -4.187 1.00 0.00 C ATOM 204 CG GLU A 16 4.253 -21.258 -3.132 1.00 0.00 C ATOM 205 CD GLU A 16 4.210 -22.721 -2.742 1.00 0.00 C ATOM 206 OE1 GLU A 16 5.250 -23.401 -2.869 1.00 0.00 O ATOM 207 OE2 GLU A 16 3.135 -23.190 -2.311 1.00 0.00 O ATOM 0 H GLU A 16 3.894 -19.761 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 16 5.452 -18.889 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.083 -21.544 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.277 -21.304 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.454 -20.655 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.275 -20.957 -3.507 1.00 0.00 H new ATOM 214 N ALA A 17 6.831 -19.982 -6.458 1.00 0.00 N ATOM 215 CA ALA A 17 7.998 -19.842 -7.320 1.00 0.00 C ATOM 216 C ALA A 17 7.600 -19.357 -8.710 1.00 0.00 C ATOM 217 O ALA A 17 8.312 -18.566 -9.329 1.00 0.00 O ATOM 218 CB ALA A 17 8.744 -21.165 -7.414 1.00 0.00 C ATOM 0 H ALA A 17 6.164 -20.691 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 17 8.658 -19.095 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.614 -21.047 -8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.070 -21.470 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.084 -21.926 -7.829 1.00 0.00 H new ATOM 224 N GLU A 18 6.458 -19.835 -9.194 1.00 0.00 N ATOM 225 CA GLU A 18 5.965 -19.449 -10.510 1.00 0.00 C ATOM 226 C GLU A 18 5.719 -17.946 -10.583 1.00 0.00 C ATOM 227 O GLU A 18 6.073 -17.295 -11.566 1.00 0.00 O ATOM 228 CB GLU A 18 4.675 -20.204 -10.836 1.00 0.00 C ATOM 229 CG GLU A 18 4.911 -21.554 -11.495 1.00 0.00 C ATOM 230 CD GLU A 18 3.733 -22.003 -12.339 1.00 0.00 C ATOM 231 OE1 GLU A 18 2.591 -21.609 -12.022 1.00 0.00 O ATOM 232 OE2 GLU A 18 3.954 -22.748 -13.316 1.00 0.00 O ATOM 0 H GLU A 18 5.857 -20.490 -8.694 1.00 0.00 H new ATOM 0 HA GLU A 18 6.727 -19.709 -11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.108 -20.352 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.061 -19.590 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.802 -21.498 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.108 -22.301 -10.726 1.00 0.00 H new ATOM 239 N ALA A 19 5.112 -17.399 -9.534 1.00 0.00 N ATOM 240 CA ALA A 19 4.820 -15.971 -9.480 1.00 0.00 C ATOM 241 C ALA A 19 5.884 -15.220 -8.686 1.00 0.00 C ATOM 242 O ALA A 19 5.617 -14.162 -8.118 1.00 0.00 O ATOM 243 CB ALA A 19 3.444 -15.737 -8.873 1.00 0.00 C ATOM 0 H ALA A 19 4.813 -17.922 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 19 4.827 -15.586 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.239 -14.667 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.688 -16.232 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.418 -16.144 -7.862 1.00 0.00 H new ATOM 249 N ALA A 20 7.092 -15.775 -8.649 1.00 0.00 N ATOM 250 CA ALA A 20 8.195 -15.157 -7.922 1.00 0.00 C ATOM 251 C ALA A 20 9.328 -14.754 -8.863 1.00 0.00 C ATOM 252 O ALA A 20 10.152 -13.904 -8.525 1.00 0.00 O ATOM 253 CB ALA A 20 8.712 -16.103 -6.848 1.00 0.00 C ATOM 0 H ALA A 20 7.331 -16.651 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 20 7.818 -14.251 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.535 -15.630 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.908 -16.333 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.063 -17.024 -7.313 1.00 0.00 H new ATOM 259 N GLN A 21 9.368 -15.369 -10.042 1.00 0.00 N ATOM 260 CA GLN A 21 10.405 -15.070 -11.023 1.00 0.00 C ATOM 261 C GLN A 21 10.015 -13.875 -11.889 1.00 0.00 C ATOM 262 O GLN A 21 10.868 -13.084 -12.288 1.00 0.00 O ATOM 263 CB GLN A 21 10.664 -16.292 -11.907 1.00 0.00 C ATOM 264 CG GLN A 21 11.658 -17.275 -11.309 1.00 0.00 C ATOM 265 CD GLN A 21 10.987 -18.517 -10.755 1.00 0.00 C ATOM 266 OE1 GLN A 21 9.993 -18.995 -11.300 1.00 0.00 O ATOM 267 NE2 GLN A 21 11.530 -19.046 -9.664 1.00 0.00 N ATOM 0 H GLN A 21 8.696 -16.076 -10.340 1.00 0.00 H new ATOM 0 HA GLN A 21 11.317 -14.817 -10.483 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.720 -16.807 -12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.035 -15.957 -12.876 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.380 -17.566 -12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.217 -16.782 -10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.355 -18.616 -9.245 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.122 -19.882 -9.245 1.00 0.00 H new ATOM 276 N ARG A 22 8.724 -13.753 -12.178 1.00 0.00 N ATOM 277 CA ARG A 22 8.228 -12.654 -12.999 1.00 0.00 C ATOM 278 C ARG A 22 7.648 -11.538 -12.134 1.00 0.00 C ATOM 279 O ARG A 22 7.665 -10.369 -12.520 1.00 0.00 O ATOM 280 CB ARG A 22 7.168 -13.157 -13.979 1.00 0.00 C ATOM 281 CG ARG A 22 5.916 -13.684 -13.301 1.00 0.00 C ATOM 282 CD ARG A 22 5.218 -14.731 -14.153 1.00 0.00 C ATOM 283 NE ARG A 22 4.374 -14.126 -15.180 1.00 0.00 N ATOM 284 CZ ARG A 22 3.177 -13.595 -14.939 1.00 0.00 C ATOM 285 NH1 ARG A 22 2.680 -13.593 -13.708 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.475 -13.064 -15.931 1.00 0.00 N ATOM 0 H ARG A 22 8.003 -14.400 -11.857 1.00 0.00 H new ATOM 0 HA ARG A 22 9.071 -12.250 -13.560 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.892 -12.345 -14.652 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.599 -13.948 -14.593 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.179 -14.116 -12.335 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.232 -12.858 -13.105 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.964 -15.369 -14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.609 -15.371 -13.514 1.00 0.00 H new ATOM 0 HE ARG A 22 4.722 -14.109 -16.139 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.216 -14.000 -12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.763 -13.185 -13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.852 -13.062 -16.879 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.558 -12.657 -15.746 1.00 0.00 H new ATOM 300 N LEU A 23 7.135 -11.905 -10.964 1.00 0.00 N ATOM 301 CA LEU A 23 6.550 -10.931 -10.048 1.00 0.00 C ATOM 302 C LEU A 23 7.554 -10.516 -8.978 1.00 0.00 C ATOM 303 O LEU A 23 7.186 -10.281 -7.826 1.00 0.00 O ATOM 304 CB LEU A 23 5.294 -11.506 -9.391 1.00 0.00 C ATOM 305 CG LEU A 23 4.181 -10.491 -9.124 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.659 -9.913 -10.431 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.050 -11.136 -8.336 1.00 0.00 C ATOM 0 H LEU A 23 7.112 -12.868 -10.628 1.00 0.00 H new ATOM 0 HA LEU A 23 6.277 -10.047 -10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.899 -12.297 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.577 -11.970 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 23 4.594 -9.676 -8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.868 -9.193 -10.220 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.472 -9.415 -10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.262 -10.717 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.267 -10.400 -8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.639 -11.970 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.433 -11.501 -7.383 1.00 0.00 H new ATOM 319 N SER A 24 8.823 -10.425 -9.364 1.00 0.00 N ATOM 320 CA SER A 24 9.878 -10.036 -8.437 1.00 0.00 C ATOM 321 C SER A 24 10.114 -8.530 -8.485 1.00 0.00 C ATOM 322 O SER A 24 10.470 -7.914 -7.480 1.00 0.00 O ATOM 323 CB SER A 24 11.175 -10.778 -8.765 1.00 0.00 C ATOM 324 OG SER A 24 11.683 -10.383 -10.028 1.00 0.00 O ATOM 0 H SER A 24 9.145 -10.616 -10.313 1.00 0.00 H new ATOM 0 HA SER A 24 9.560 -10.305 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.917 -10.578 -7.992 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.993 -11.853 -8.762 1.00 0.00 H new ATOM 0 HG SER A 24 12.513 -10.870 -10.214 1.00 0.00 H new ATOM 330 N GLU A 25 9.914 -7.943 -9.660 1.00 0.00 N ATOM 331 CA GLU A 25 10.104 -6.508 -9.841 1.00 0.00 C ATOM 332 C GLU A 25 9.018 -5.721 -9.116 1.00 0.00 C ATOM 333 O GLU A 25 9.285 -4.678 -8.521 1.00 0.00 O ATOM 334 CB GLU A 25 10.100 -6.155 -11.329 1.00 0.00 C ATOM 335 CG GLU A 25 8.806 -6.521 -12.037 1.00 0.00 C ATOM 336 CD GLU A 25 9.000 -6.754 -13.522 1.00 0.00 C ATOM 337 OE1 GLU A 25 9.937 -7.495 -13.889 1.00 0.00 O ATOM 338 OE2 GLU A 25 8.214 -6.197 -14.318 1.00 0.00 O ATOM 0 H GLU A 25 9.620 -8.439 -10.502 1.00 0.00 H new ATOM 0 HA GLU A 25 11.070 -6.238 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.275 -5.085 -11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.929 -6.667 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.390 -7.420 -11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.078 -5.723 -11.890 1.00 0.00 H new ATOM 345 N GLU A 26 7.790 -6.228 -9.173 1.00 0.00 N ATOM 346 CA GLU A 26 6.662 -5.573 -8.522 1.00 0.00 C ATOM 347 C GLU A 26 6.774 -5.677 -7.004 1.00 0.00 C ATOM 348 O GLU A 26 6.430 -4.741 -6.282 1.00 0.00 O ATOM 349 CB GLU A 26 5.345 -6.193 -8.994 1.00 0.00 C ATOM 350 CG GLU A 26 4.717 -5.466 -10.171 1.00 0.00 C ATOM 351 CD GLU A 26 3.311 -5.947 -10.470 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.376 -5.529 -9.754 1.00 0.00 O ATOM 353 OE2 GLU A 26 3.143 -6.739 -11.421 1.00 0.00 O ATOM 0 H GLU A 26 7.552 -7.090 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 26 6.677 -4.518 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.521 -7.232 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.639 -6.201 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.695 -4.396 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.340 -5.606 -11.054 1.00 0.00 H new ATOM 360 N LYS A 27 7.257 -6.819 -6.528 1.00 0.00 N ATOM 361 CA LYS A 27 7.413 -7.044 -5.096 1.00 0.00 C ATOM 362 C LYS A 27 8.397 -6.047 -4.492 1.00 0.00 C ATOM 363 O LYS A 27 8.224 -5.597 -3.360 1.00 0.00 O ATOM 364 CB LYS A 27 7.893 -8.473 -4.833 1.00 0.00 C ATOM 365 CG LYS A 27 7.929 -8.840 -3.359 1.00 0.00 C ATOM 366 CD LYS A 27 7.886 -10.347 -3.159 1.00 0.00 C ATOM 367 CE LYS A 27 9.266 -10.912 -2.868 1.00 0.00 C ATOM 368 NZ LYS A 27 9.229 -11.947 -1.798 1.00 0.00 N ATOM 0 H LYS A 27 7.547 -7.603 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 27 6.441 -6.900 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.238 -9.170 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.891 -8.596 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.834 -8.437 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.084 -8.380 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.213 -10.586 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.479 -10.822 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.680 -11.346 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.933 -10.104 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.190 -12.307 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.858 -11.527 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.613 -12.731 -2.094 1.00 0.00 H new ATOM 382 N ALA A 28 9.429 -5.706 -5.256 1.00 0.00 N ATOM 383 CA ALA A 28 10.441 -4.762 -4.795 1.00 0.00 C ATOM 384 C ALA A 28 9.872 -3.349 -4.707 1.00 0.00 C ATOM 385 O ALA A 28 10.280 -2.558 -3.856 1.00 0.00 O ATOM 386 CB ALA A 28 11.648 -4.790 -5.719 1.00 0.00 C ATOM 0 H ALA A 28 9.587 -6.069 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 28 10.756 -5.063 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.395 -4.081 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.075 -5.793 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.340 -4.517 -6.728 1.00 0.00 H new ATOM 392 N GLN A 29 8.929 -3.041 -5.591 1.00 0.00 N ATOM 393 CA GLN A 29 8.305 -1.723 -5.611 1.00 0.00 C ATOM 394 C GLN A 29 7.194 -1.631 -4.570 1.00 0.00 C ATOM 395 O GLN A 29 6.961 -0.572 -3.988 1.00 0.00 O ATOM 396 CB GLN A 29 7.742 -1.424 -7.002 1.00 0.00 C ATOM 397 CG GLN A 29 8.768 -1.562 -8.115 1.00 0.00 C ATOM 398 CD GLN A 29 8.139 -1.530 -9.494 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.143 -0.843 -9.719 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.719 -2.277 -10.426 1.00 0.00 N ATOM 0 H GLN A 29 8.581 -3.685 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 29 9.068 -0.983 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.909 -2.099 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.341 -0.411 -7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.498 -0.756 -8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.312 -2.498 -7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.544 -2.831 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.340 -2.297 -11.373 1.00 0.00 H new ATOM 409 N ALA A 30 6.513 -2.749 -4.340 1.00 0.00 N ATOM 410 CA ALA A 30 5.428 -2.795 -3.368 1.00 0.00 C ATOM 411 C ALA A 30 5.972 -2.880 -1.945 1.00 0.00 C ATOM 412 O ALA A 30 5.351 -2.389 -1.003 1.00 0.00 O ATOM 413 CB ALA A 30 4.511 -3.975 -3.656 1.00 0.00 C ATOM 0 H ALA A 30 6.694 -3.634 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 30 4.853 -1.873 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.705 -3.997 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.089 -3.872 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.081 -4.902 -3.597 1.00 0.00 H new ATOM 419 N SER A 31 7.135 -3.507 -1.799 1.00 0.00 N ATOM 420 CA SER A 31 7.764 -3.656 -0.492 1.00 0.00 C ATOM 421 C SER A 31 8.829 -2.585 -0.276 1.00 0.00 C ATOM 422 O SER A 31 9.878 -2.848 0.312 1.00 0.00 O ATOM 423 CB SER A 31 8.388 -5.046 -0.359 1.00 0.00 C ATOM 424 OG SER A 31 7.392 -6.037 -0.168 1.00 0.00 O ATOM 0 H SER A 31 7.661 -3.920 -2.570 1.00 0.00 H new ATOM 0 HA SER A 31 6.994 -3.537 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.967 -5.275 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.082 -5.057 0.481 1.00 0.00 H new ATOM 0 HG SER A 31 7.817 -6.916 -0.088 1.00 0.00 H new ATOM 430 N ALA A 32 8.552 -1.377 -0.755 1.00 0.00 N ATOM 431 CA ALA A 32 9.485 -0.267 -0.615 1.00 0.00 C ATOM 432 C ALA A 32 8.759 1.015 -0.220 1.00 0.00 C ATOM 433 O ALA A 32 9.183 1.726 0.691 1.00 0.00 O ATOM 434 CB ALA A 32 10.258 -0.060 -1.909 1.00 0.00 C ATOM 0 H ALA A 32 7.688 -1.142 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 32 10.188 -0.515 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.951 0.773 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.816 -0.965 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.561 0.161 -2.718 1.00 0.00 H new ATOM 440 N ILE A 33 7.661 1.303 -0.911 1.00 0.00 N ATOM 441 CA ILE A 33 6.875 2.499 -0.633 1.00 0.00 C ATOM 442 C ILE A 33 6.058 2.332 0.645 1.00 0.00 C ATOM 443 O ILE A 33 5.338 1.348 0.809 1.00 0.00 O ATOM 444 CB ILE A 33 5.922 2.831 -1.800 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.690 2.860 -3.122 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.229 4.163 -1.555 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.875 2.376 -4.303 1.00 0.00 C ATOM 0 H ILE A 33 7.296 0.724 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 33 7.581 3.320 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 33 5.161 2.053 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.027 3.878 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.583 2.242 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.560 4.384 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.653 4.109 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.976 4.952 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.481 2.423 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.560 1.347 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.996 3.009 -4.422 1.00 0.00 H new ATOM 459 N SER A 34 6.176 3.302 1.547 1.00 0.00 N ATOM 460 CA SER A 34 5.448 3.263 2.809 1.00 0.00 C ATOM 461 C SER A 34 4.091 3.945 2.677 1.00 0.00 C ATOM 462 O SER A 34 3.744 4.457 1.613 1.00 0.00 O ATOM 463 CB SER A 34 6.266 3.936 3.914 1.00 0.00 C ATOM 464 OG SER A 34 7.637 3.592 3.816 1.00 0.00 O ATOM 0 H SER A 34 6.769 4.123 1.427 1.00 0.00 H new ATOM 0 HA SER A 34 5.284 2.218 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.154 5.018 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.882 3.636 4.889 1.00 0.00 H new ATOM 0 HG SER A 34 8.138 4.036 4.532 1.00 0.00 H new ATOM 470 N VAL A 35 3.328 3.949 3.765 1.00 0.00 N ATOM 471 CA VAL A 35 2.008 4.569 3.771 1.00 0.00 C ATOM 472 C VAL A 35 2.041 5.924 4.468 1.00 0.00 C ATOM 473 O VAL A 35 2.655 6.076 5.524 1.00 0.00 O ATOM 474 CB VAL A 35 0.969 3.671 4.469 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.431 4.237 4.290 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.049 2.249 3.936 1.00 0.00 C ATOM 0 H VAL A 35 3.601 3.530 4.654 1.00 0.00 H new ATOM 0 HA VAL A 35 1.718 4.706 2.729 1.00 0.00 H new ATOM 0 HB VAL A 35 1.193 3.648 5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.152 3.590 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.478 5.236 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.668 4.292 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.308 1.629 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.852 2.251 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.045 1.847 4.121 1.00 0.00 H new ATOM 486 N GLY A 36 1.378 6.908 3.869 1.00 0.00 N ATOM 487 CA GLY A 36 1.345 8.238 4.447 1.00 0.00 C ATOM 488 C GLY A 36 2.451 9.129 3.916 1.00 0.00 C ATOM 489 O GLY A 36 2.924 10.026 4.614 1.00 0.00 O ATOM 0 H GLY A 36 0.863 6.808 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.380 8.698 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.433 8.162 5.531 1.00 0.00 H new ATOM 493 N SER A 37 2.865 8.881 2.678 1.00 0.00 N ATOM 494 CA SER A 37 3.924 9.666 2.053 1.00 0.00 C ATOM 495 C SER A 37 3.419 10.348 0.786 1.00 0.00 C ATOM 496 O SER A 37 2.914 9.692 -0.125 1.00 0.00 O ATOM 497 CB SER A 37 5.121 8.774 1.723 1.00 0.00 C ATOM 498 OG SER A 37 5.907 8.525 2.877 1.00 0.00 O ATOM 0 H SER A 37 2.483 8.142 2.087 1.00 0.00 H new ATOM 0 HA SER A 37 4.237 10.436 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.771 7.829 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.734 9.251 0.958 1.00 0.00 H new ATOM 0 HG SER A 37 6.665 7.951 2.639 1.00 0.00 H new ATOM 504 N ARG A 38 3.559 11.669 0.735 1.00 0.00 N ATOM 505 CA ARG A 38 3.117 12.440 -0.420 1.00 0.00 C ATOM 506 C ARG A 38 3.921 12.069 -1.662 1.00 0.00 C ATOM 507 O ARG A 38 5.095 12.421 -1.782 1.00 0.00 O ATOM 508 CB ARG A 38 3.251 13.938 -0.141 1.00 0.00 C ATOM 509 CG ARG A 38 2.128 14.499 0.717 1.00 0.00 C ATOM 510 CD ARG A 38 1.224 15.426 -0.080 1.00 0.00 C ATOM 511 NE ARG A 38 -0.176 15.300 0.316 1.00 0.00 N ATOM 512 CZ ARG A 38 -1.107 16.215 0.051 1.00 0.00 C ATOM 513 NH1 ARG A 38 -0.791 17.322 -0.609 1.00 0.00 N ATOM 514 NH2 ARG A 38 -2.357 16.021 0.447 1.00 0.00 N ATOM 0 H ARG A 38 3.975 12.227 1.480 1.00 0.00 H new ATOM 0 HA ARG A 38 2.069 12.204 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.204 14.123 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.276 14.475 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.538 13.679 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.551 15.041 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.549 16.457 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.322 15.202 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.457 14.462 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.169 17.476 -0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.508 18.019 -0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.605 15.172 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.071 16.721 0.245 1.00 0.00 H new ATOM 528 N CYS A 39 3.283 11.355 -2.583 1.00 0.00 N ATOM 529 CA CYS A 39 3.940 10.936 -3.816 1.00 0.00 C ATOM 530 C CYS A 39 3.241 11.529 -5.036 1.00 0.00 C ATOM 531 O CYS A 39 2.249 12.247 -4.906 1.00 0.00 O ATOM 532 CB CYS A 39 3.956 9.410 -3.917 1.00 0.00 C ATOM 533 SG CYS A 39 4.475 8.577 -2.398 1.00 0.00 S ATOM 0 H CYS A 39 2.312 11.054 -2.499 1.00 0.00 H new ATOM 0 HA CYS A 39 4.966 11.304 -3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.958 9.064 -4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.624 9.117 -4.726 1.00 0.00 H new ATOM 0 HG CYS A 39 4.019 9.227 -1.369 1.00 0.00 H new ATOM 539 N GLU A 40 3.765 11.224 -6.218 1.00 0.00 N ATOM 540 CA GLU A 40 3.192 11.727 -7.461 1.00 0.00 C ATOM 541 C GLU A 40 2.780 10.578 -8.376 1.00 0.00 C ATOM 542 O GLU A 40 3.574 9.679 -8.656 1.00 0.00 O ATOM 543 CB GLU A 40 4.195 12.630 -8.181 1.00 0.00 C ATOM 544 CG GLU A 40 4.091 14.094 -7.784 1.00 0.00 C ATOM 545 CD GLU A 40 4.771 15.016 -8.777 1.00 0.00 C ATOM 546 OE1 GLU A 40 5.754 14.582 -9.414 1.00 0.00 O ATOM 547 OE2 GLU A 40 4.321 16.173 -8.916 1.00 0.00 O ATOM 0 H GLU A 40 4.586 10.631 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 40 2.303 12.307 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.205 12.276 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.043 12.542 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.040 14.370 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.538 14.233 -6.800 1.00 0.00 H new ATOM 554 N VAL A 41 1.536 10.613 -8.839 1.00 0.00 N ATOM 555 CA VAL A 41 1.020 9.576 -9.724 1.00 0.00 C ATOM 556 C VAL A 41 1.008 10.051 -11.173 1.00 0.00 C ATOM 557 O VAL A 41 0.738 11.220 -11.452 1.00 0.00 O ATOM 558 CB VAL A 41 -0.405 9.150 -9.322 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.863 7.961 -10.153 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.469 8.825 -7.836 1.00 0.00 C ATOM 0 H VAL A 41 0.866 11.349 -8.616 1.00 0.00 H new ATOM 0 HA VAL A 41 1.685 8.718 -9.630 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.080 9.983 -9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.872 7.675 -9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.860 8.232 -11.209 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.186 7.122 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.484 8.526 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.219 8.010 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.188 9.706 -7.258 1.00 0.00 H new ATOM 570 N ARG A 42 1.307 9.139 -12.091 1.00 0.00 N ATOM 571 CA ARG A 42 1.333 9.465 -13.512 1.00 0.00 C ATOM 572 C ARG A 42 0.607 8.402 -14.330 1.00 0.00 C ATOM 573 O ARG A 42 0.984 7.231 -14.318 1.00 0.00 O ATOM 574 CB ARG A 42 2.778 9.598 -13.998 1.00 0.00 C ATOM 575 CG ARG A 42 2.980 10.711 -15.014 1.00 0.00 C ATOM 576 CD ARG A 42 4.124 10.396 -15.964 1.00 0.00 C ATOM 577 NE ARG A 42 4.513 11.556 -16.760 1.00 0.00 N ATOM 578 CZ ARG A 42 3.827 11.997 -17.812 1.00 0.00 C ATOM 579 NH1 ARG A 42 2.715 11.380 -18.195 1.00 0.00 N ATOM 580 NH2 ARG A 42 4.254 13.057 -18.486 1.00 0.00 N ATOM 0 H ARG A 42 1.535 8.168 -11.877 1.00 0.00 H new ATOM 0 HA ARG A 42 0.819 10.416 -13.650 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.426 9.779 -13.140 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.092 8.653 -14.440 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.062 10.856 -15.584 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.184 11.647 -14.494 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.983 10.045 -15.392 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.830 9.583 -16.628 1.00 0.00 H new ATOM 0 HE ARG A 42 5.360 12.058 -16.495 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.382 10.563 -17.682 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.194 11.723 -19.002 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.108 13.534 -18.198 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.728 13.395 -19.292 1.00 0.00 H new ATOM 594 N ALA A 43 -0.438 8.818 -15.039 1.00 0.00 N ATOM 595 CA ALA A 43 -1.216 7.900 -15.861 1.00 0.00 C ATOM 596 C ALA A 43 -1.970 8.647 -16.958 1.00 0.00 C ATOM 597 O ALA A 43 -2.202 9.851 -16.855 1.00 0.00 O ATOM 598 CB ALA A 43 -2.187 7.111 -14.995 1.00 0.00 C ATOM 0 H ALA A 43 -0.765 9.784 -15.060 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.525 7.206 -16.340 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.762 6.429 -15.622 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.630 6.539 -14.252 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.865 7.799 -14.490 1.00 0.00 H new ATOM 604 N PRO A 44 -2.363 7.937 -18.031 1.00 0.00 N ATOM 605 CA PRO A 44 -3.094 8.537 -19.151 1.00 0.00 C ATOM 606 C PRO A 44 -4.524 8.912 -18.777 1.00 0.00 C ATOM 607 O PRO A 44 -5.483 8.382 -19.338 1.00 0.00 O ATOM 608 CB PRO A 44 -3.088 7.432 -20.210 1.00 0.00 C ATOM 609 CG PRO A 44 -2.970 6.167 -19.434 1.00 0.00 C ATOM 610 CD PRO A 44 -2.125 6.495 -18.233 1.00 0.00 C ATOM 0 HA PRO A 44 -2.636 9.468 -19.485 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.001 7.448 -20.805 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.255 7.551 -20.902 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.951 5.801 -19.132 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.508 5.383 -20.034 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.423 5.913 -17.361 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.071 6.283 -18.413 1.00 0.00 H new ATOM 618 N ASP A 45 -4.660 9.829 -17.824 1.00 0.00 N ATOM 619 CA ASP A 45 -5.974 10.275 -17.375 1.00 0.00 C ATOM 620 C ASP A 45 -6.102 11.791 -17.486 1.00 0.00 C ATOM 621 O ASP A 45 -7.034 12.302 -18.104 1.00 0.00 O ATOM 622 CB ASP A 45 -6.218 9.836 -15.930 1.00 0.00 C ATOM 623 CG ASP A 45 -6.646 8.385 -15.831 1.00 0.00 C ATOM 624 OD1 ASP A 45 -7.437 7.940 -16.688 1.00 0.00 O ATOM 625 OD2 ASP A 45 -6.191 7.694 -14.895 1.00 0.00 O ATOM 0 H ASP A 45 -3.877 10.277 -17.348 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.725 9.817 -18.019 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.307 9.984 -15.350 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.986 10.469 -15.485 1.00 0.00 H new ATOM 630 N HIS A 46 -5.157 12.504 -16.883 1.00 0.00 N ATOM 631 CA HIS A 46 -5.163 13.961 -16.913 1.00 0.00 C ATOM 632 C HIS A 46 -3.745 14.514 -16.825 1.00 0.00 C ATOM 633 O HIS A 46 -3.244 15.121 -17.772 1.00 0.00 O ATOM 634 CB HIS A 46 -6.010 14.512 -15.764 1.00 0.00 C ATOM 635 CG HIS A 46 -6.622 15.847 -16.057 1.00 0.00 C ATOM 636 ND1 HIS A 46 -7.968 16.022 -16.303 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.062 17.077 -16.144 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.210 17.300 -16.528 1.00 0.00 C ATOM 639 NE2 HIS A 46 -7.071 17.962 -16.436 1.00 0.00 N ATOM 0 H HIS A 46 -4.377 12.096 -16.368 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.598 14.278 -17.861 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.803 13.800 -15.535 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.388 14.594 -14.872 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.018 17.317 -16.009 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.175 17.731 -16.750 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.959 18.968 -16.562 1.00 0.00 H new ATOM 648 N SER A 47 -3.101 14.300 -15.682 1.00 0.00 N ATOM 649 CA SER A 47 -1.740 14.777 -15.471 1.00 0.00 C ATOM 650 C SER A 47 -1.208 14.324 -14.115 1.00 0.00 C ATOM 651 O SER A 47 -1.828 13.506 -13.436 1.00 0.00 O ATOM 652 CB SER A 47 -1.690 16.302 -15.567 1.00 0.00 C ATOM 653 OG SER A 47 -0.461 16.740 -16.120 1.00 0.00 O ATOM 0 H SER A 47 -3.500 13.799 -14.888 1.00 0.00 H new ATOM 0 HA SER A 47 -1.108 14.350 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.516 16.658 -16.183 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.821 16.736 -14.576 1.00 0.00 H new ATOM 0 HG SER A 47 -0.456 17.719 -16.172 1.00 0.00 H new ATOM 659 N LEU A 48 -0.056 14.861 -13.728 1.00 0.00 N ATOM 660 CA LEU A 48 0.559 14.513 -12.452 1.00 0.00 C ATOM 661 C LEU A 48 -0.224 15.113 -11.288 1.00 0.00 C ATOM 662 O LEU A 48 -0.414 16.326 -11.216 1.00 0.00 O ATOM 663 CB LEU A 48 2.010 14.999 -12.412 1.00 0.00 C ATOM 664 CG LEU A 48 3.044 13.990 -12.916 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.266 14.709 -13.467 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.442 13.036 -11.801 1.00 0.00 C ATOM 0 H LEU A 48 0.471 15.539 -14.279 1.00 0.00 H new ATOM 0 HA LEU A 48 0.544 13.428 -12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.090 15.907 -13.009 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.259 15.269 -11.386 1.00 0.00 H new ATOM 0 HG LEU A 48 2.596 13.409 -13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.991 13.976 -13.821 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.967 15.352 -14.295 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.717 15.315 -12.681 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.178 12.325 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.872 13.602 -10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.561 12.497 -11.452 1.00 0.00 H new ATOM 678 N ARG A 49 -0.675 14.253 -10.380 1.00 0.00 N ATOM 679 CA ARG A 49 -1.437 14.698 -9.218 1.00 0.00 C ATOM 680 C ARG A 49 -0.727 14.316 -7.923 1.00 0.00 C ATOM 681 O ARG A 49 -0.176 13.222 -7.806 1.00 0.00 O ATOM 682 CB ARG A 49 -2.841 14.092 -9.241 1.00 0.00 C ATOM 683 CG ARG A 49 -3.664 14.506 -10.450 1.00 0.00 C ATOM 684 CD ARG A 49 -5.100 14.017 -10.342 1.00 0.00 C ATOM 685 NE ARG A 49 -5.614 13.541 -11.623 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.332 12.346 -12.136 1.00 0.00 C ATOM 687 NH1 ARG A 49 -4.542 11.504 -11.481 1.00 0.00 N ATOM 688 NH2 ARG A 49 -5.841 11.991 -13.309 1.00 0.00 N ATOM 0 H ARG A 49 -0.526 13.245 -10.426 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.517 15.784 -9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.759 13.005 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.369 14.387 -8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.655 15.592 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.209 14.105 -11.356 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.155 13.213 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.732 14.826 -9.976 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.225 14.160 -12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.147 11.772 -10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.330 10.589 -11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.448 12.634 -13.817 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.625 11.075 -13.702 1.00 0.00 H new ATOM 702 N ARG A 50 -0.744 15.225 -6.955 1.00 0.00 N ATOM 703 CA ARG A 50 -0.102 14.983 -5.668 1.00 0.00 C ATOM 704 C ARG A 50 -1.041 14.242 -4.723 1.00 0.00 C ATOM 705 O ARG A 50 -2.083 14.765 -4.329 1.00 0.00 O ATOM 706 CB ARG A 50 0.338 16.306 -5.037 1.00 0.00 C ATOM 707 CG ARG A 50 1.719 16.761 -5.478 1.00 0.00 C ATOM 708 CD ARG A 50 2.787 15.750 -5.096 1.00 0.00 C ATOM 709 NE ARG A 50 4.133 16.303 -5.223 1.00 0.00 N ATOM 710 CZ ARG A 50 5.220 15.731 -4.709 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.125 14.593 -4.033 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.406 16.301 -4.871 1.00 0.00 N ATOM 0 H ARG A 50 -1.195 16.136 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 50 0.777 14.361 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.388 17.079 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.328 16.202 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.727 16.909 -6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.949 17.724 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.625 15.422 -4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.696 14.869 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 50 4.247 17.178 -5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.215 14.151 -3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.962 14.161 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.485 17.176 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.240 15.864 -4.478 1.00 0.00 H new ATOM 726 N GLY A 51 -0.665 13.019 -4.361 1.00 0.00 N ATOM 727 CA GLY A 51 -1.484 12.225 -3.465 1.00 0.00 C ATOM 728 C GLY A 51 -0.684 11.630 -2.323 1.00 0.00 C ATOM 729 O GLY A 51 0.501 11.922 -2.167 1.00 0.00 O ATOM 0 H GLY A 51 0.193 12.564 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.282 12.847 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.960 11.422 -4.028 1.00 0.00 H new ATOM 733 N THR A 52 -1.334 10.791 -1.522 1.00 0.00 N ATOM 734 CA THR A 52 -0.676 10.153 -0.388 1.00 0.00 C ATOM 735 C THR A 52 -0.983 8.660 -0.351 1.00 0.00 C ATOM 736 O THR A 52 -2.122 8.244 -0.561 1.00 0.00 O ATOM 737 CB THR A 52 -1.119 10.809 0.920 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.314 12.200 0.743 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.127 10.626 2.048 1.00 0.00 C ATOM 0 H THR A 52 -2.315 10.538 -1.638 1.00 0.00 H new ATOM 0 HA THR A 52 0.400 10.282 -0.505 1.00 0.00 H new ATOM 0 HB THR A 52 -2.050 10.311 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.599 12.601 1.591 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.503 11.116 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.009 9.562 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.829 11.068 1.767 1.00 0.00 H new ATOM 747 N VAL A 53 0.042 7.856 -0.083 1.00 0.00 N ATOM 748 CA VAL A 53 -0.118 6.409 -0.018 1.00 0.00 C ATOM 749 C VAL A 53 -1.005 6.006 1.154 1.00 0.00 C ATOM 750 O VAL A 53 -0.801 6.454 2.282 1.00 0.00 O ATOM 751 CB VAL A 53 1.242 5.698 0.114 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.075 4.194 -0.023 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.224 6.229 -0.919 1.00 0.00 C ATOM 0 H VAL A 53 0.992 8.183 0.093 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.591 6.102 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 53 1.645 5.906 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.047 3.710 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.409 3.829 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.649 3.963 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.179 5.715 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.829 6.054 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.368 7.299 -0.768 1.00 0.00 H new ATOM 763 N MET A 54 -1.990 5.157 0.879 1.00 0.00 N ATOM 764 CA MET A 54 -2.909 4.693 1.911 1.00 0.00 C ATOM 765 C MET A 54 -2.833 3.177 2.067 1.00 0.00 C ATOM 766 O MET A 54 -2.846 2.657 3.183 1.00 0.00 O ATOM 767 CB MET A 54 -4.342 5.111 1.574 1.00 0.00 C ATOM 768 CG MET A 54 -4.512 6.610 1.393 1.00 0.00 C ATOM 769 SD MET A 54 -6.149 7.054 0.781 1.00 0.00 S ATOM 770 CE MET A 54 -6.063 6.432 -0.896 1.00 0.00 C ATOM 0 H MET A 54 -2.172 4.777 -0.050 1.00 0.00 H new ATOM 0 HA MET A 54 -2.616 5.153 2.855 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.654 4.606 0.660 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.007 4.772 2.368 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.337 7.109 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.757 6.976 0.698 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.898 6.827 -1.474 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.125 6.746 -1.353 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.114 5.343 -0.883 1.00 0.00 H new ATOM 780 N TYR A 55 -2.753 2.475 0.942 1.00 0.00 N ATOM 781 CA TYR A 55 -2.675 1.020 0.954 1.00 0.00 C ATOM 782 C TYR A 55 -1.695 0.518 -0.102 1.00 0.00 C ATOM 783 O TYR A 55 -1.650 1.036 -1.219 1.00 0.00 O ATOM 784 CB TYR A 55 -4.057 0.412 0.711 1.00 0.00 C ATOM 785 CG TYR A 55 -4.136 -1.065 1.029 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.455 -1.997 0.257 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.889 -1.525 2.101 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.523 -3.347 0.543 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.963 -2.873 2.394 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.278 -3.780 1.612 1.00 0.00 C ATOM 791 OH TYR A 55 -4.348 -5.124 1.901 1.00 0.00 O ATOM 0 H TYR A 55 -2.741 2.891 0.011 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.316 0.710 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.790 0.945 1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.333 0.565 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.862 -1.661 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.426 -0.817 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.988 -4.059 -0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.554 -3.215 3.231 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.920 -5.261 2.685 1.00 0.00 H new ATOM 801 N VAL A 56 -0.910 -0.492 0.258 1.00 0.00 N ATOM 802 CA VAL A 56 0.069 -1.064 -0.658 1.00 0.00 C ATOM 803 C VAL A 56 0.194 -2.570 -0.458 1.00 0.00 C ATOM 804 O VAL A 56 0.834 -3.031 0.487 1.00 0.00 O ATOM 805 CB VAL A 56 1.456 -0.419 -0.474 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.408 -0.874 -1.569 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.340 1.098 -0.455 1.00 0.00 C ATOM 0 H VAL A 56 -0.933 -0.931 1.178 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.288 -0.861 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 56 1.862 -0.742 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.382 -0.407 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.515 -1.958 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.010 -0.583 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.329 1.537 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.912 1.442 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.696 1.403 0.369 1.00 0.00 H new ATOM 817 N GLY A 57 -0.423 -3.334 -1.355 1.00 0.00 N ATOM 818 CA GLY A 57 -0.368 -4.781 -1.259 1.00 0.00 C ATOM 819 C GLY A 57 -1.047 -5.467 -2.428 1.00 0.00 C ATOM 820 O GLY A 57 -1.130 -4.907 -3.521 1.00 0.00 O ATOM 0 H GLY A 57 -0.959 -2.977 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.673 -5.099 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.842 -5.099 -0.330 1.00 0.00 H new ATOM 824 N LEU A 58 -1.534 -6.682 -2.197 1.00 0.00 N ATOM 825 CA LEU A 58 -2.209 -7.446 -3.240 1.00 0.00 C ATOM 826 C LEU A 58 -3.721 -7.265 -3.153 1.00 0.00 C ATOM 827 O LEU A 58 -4.317 -7.436 -2.090 1.00 0.00 O ATOM 828 CB LEU A 58 -1.853 -8.929 -3.127 1.00 0.00 C ATOM 829 CG LEU A 58 -0.444 -9.294 -3.598 1.00 0.00 C ATOM 830 CD1 LEU A 58 0.123 -10.427 -2.758 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.459 -9.675 -5.071 1.00 0.00 C ATOM 0 H LEU A 58 -1.474 -7.158 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.871 -7.072 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.963 -9.235 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.574 -9.505 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 58 0.198 -8.422 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.126 -10.673 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.169 -10.118 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.518 -11.304 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.551 -9.932 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.115 -10.533 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.823 -8.834 -5.661 1.00 0.00 H new ATOM 843 N THR A 59 -4.336 -6.920 -4.280 1.00 0.00 N ATOM 844 CA THR A 59 -5.779 -6.717 -4.332 1.00 0.00 C ATOM 845 C THR A 59 -6.509 -8.043 -4.517 1.00 0.00 C ATOM 846 O THR A 59 -5.898 -9.111 -4.476 1.00 0.00 O ATOM 847 CB THR A 59 -6.140 -5.762 -5.470 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.854 -6.348 -6.727 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.401 -4.442 -5.402 1.00 0.00 C ATOM 0 H THR A 59 -3.857 -6.775 -5.169 1.00 0.00 H new ATOM 0 HA THR A 59 -6.093 -6.279 -3.385 1.00 0.00 H new ATOM 0 HB THR A 59 -7.207 -5.570 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.099 -5.881 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.704 -3.812 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.639 -3.940 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.327 -4.623 -5.454 1.00 0.00 H new ATOM 857 N ASP A 60 -7.821 -7.968 -4.721 1.00 0.00 N ATOM 858 CA ASP A 60 -8.634 -9.164 -4.912 1.00 0.00 C ATOM 859 C ASP A 60 -9.385 -9.120 -6.244 1.00 0.00 C ATOM 860 O ASP A 60 -10.152 -10.029 -6.561 1.00 0.00 O ATOM 861 CB ASP A 60 -9.629 -9.315 -3.760 1.00 0.00 C ATOM 862 CG ASP A 60 -9.004 -9.958 -2.538 1.00 0.00 C ATOM 863 OD1 ASP A 60 -7.767 -9.870 -2.388 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.751 -10.550 -1.730 1.00 0.00 O ATOM 0 H ASP A 60 -8.343 -7.092 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.964 -10.024 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.021 -8.334 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.476 -9.917 -4.091 1.00 0.00 H new ATOM 869 N PHE A 61 -9.164 -8.061 -7.020 1.00 0.00 N ATOM 870 CA PHE A 61 -9.824 -7.912 -8.313 1.00 0.00 C ATOM 871 C PHE A 61 -8.821 -8.048 -9.455 1.00 0.00 C ATOM 872 O PHE A 61 -9.167 -8.507 -10.544 1.00 0.00 O ATOM 873 CB PHE A 61 -10.531 -6.558 -8.396 1.00 0.00 C ATOM 874 CG PHE A 61 -9.697 -5.411 -7.902 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.857 -4.725 -8.764 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.754 -5.018 -6.575 1.00 0.00 C ATOM 877 CE1 PHE A 61 -8.089 -3.669 -8.312 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.989 -3.961 -6.117 1.00 0.00 C ATOM 879 CZ PHE A 61 -8.156 -3.287 -6.986 1.00 0.00 C ATOM 0 H PHE A 61 -8.535 -7.296 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.565 -8.706 -8.408 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.816 -6.369 -9.431 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.452 -6.603 -7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.802 -5.019 -9.802 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.403 -5.543 -5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.437 -3.143 -8.994 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.044 -3.663 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.557 -2.462 -6.630 1.00 0.00 H new ATOM 889 N LYS A 62 -7.580 -7.647 -9.200 1.00 0.00 N ATOM 890 CA LYS A 62 -6.530 -7.726 -10.209 1.00 0.00 C ATOM 891 C LYS A 62 -5.224 -8.232 -9.596 1.00 0.00 C ATOM 892 O LYS A 62 -4.818 -7.781 -8.525 1.00 0.00 O ATOM 893 CB LYS A 62 -6.311 -6.354 -10.853 1.00 0.00 C ATOM 894 CG LYS A 62 -6.461 -6.362 -12.366 1.00 0.00 C ATOM 895 CD LYS A 62 -5.120 -6.195 -13.065 1.00 0.00 C ATOM 896 CE LYS A 62 -4.943 -7.209 -14.184 1.00 0.00 C ATOM 897 NZ LYS A 62 -3.533 -7.669 -14.299 1.00 0.00 N ATOM 0 H LYS A 62 -7.277 -7.264 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.846 -8.433 -10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.022 -5.645 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.314 -5.996 -10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.922 -7.298 -12.681 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.132 -5.559 -12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.044 -5.186 -13.471 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.314 -6.308 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.591 -8.067 -14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.258 -6.766 -15.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.473 -8.432 -15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.932 -6.874 -14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.207 -8.023 -13.377 1.00 0.00 H new ATOM 911 N PRO A 63 -4.544 -9.181 -10.268 1.00 0.00 N ATOM 912 CA PRO A 63 -3.280 -9.742 -9.776 1.00 0.00 C ATOM 913 C PRO A 63 -2.242 -8.663 -9.488 1.00 0.00 C ATOM 914 O PRO A 63 -2.548 -7.470 -9.510 1.00 0.00 O ATOM 915 CB PRO A 63 -2.811 -10.639 -10.924 1.00 0.00 C ATOM 916 CG PRO A 63 -4.052 -10.980 -11.674 1.00 0.00 C ATOM 917 CD PRO A 63 -4.950 -9.782 -11.553 1.00 0.00 C ATOM 0 HA PRO A 63 -3.413 -10.272 -8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.093 -10.122 -11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.317 -11.535 -10.549 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.829 -11.197 -12.719 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.528 -11.868 -11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.810 -9.089 -12.383 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.002 -10.067 -11.549 1.00 0.00 H new ATOM 925 N GLY A 64 -1.012 -9.089 -9.218 1.00 0.00 N ATOM 926 CA GLY A 64 0.054 -8.147 -8.932 1.00 0.00 C ATOM 927 C GLY A 64 -0.258 -7.259 -7.743 1.00 0.00 C ATOM 928 O GLY A 64 -1.341 -7.343 -7.164 1.00 0.00 O ATOM 0 H GLY A 64 -0.735 -10.070 -9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.977 -8.695 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.230 -7.525 -9.810 1.00 0.00 H new ATOM 932 N TYR A 65 0.694 -6.406 -7.380 1.00 0.00 N ATOM 933 CA TYR A 65 0.517 -5.497 -6.253 1.00 0.00 C ATOM 934 C TYR A 65 -0.110 -4.184 -6.708 1.00 0.00 C ATOM 935 O TYR A 65 -0.067 -3.840 -7.889 1.00 0.00 O ATOM 936 CB TYR A 65 1.860 -5.226 -5.573 1.00 0.00 C ATOM 937 CG TYR A 65 2.422 -6.424 -4.840 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.029 -6.715 -3.540 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.347 -7.264 -5.450 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.541 -7.808 -2.867 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.863 -8.358 -4.783 1.00 0.00 C ATOM 942 CZ TYR A 65 3.457 -8.627 -3.494 1.00 0.00 C ATOM 943 OH TYR A 65 3.970 -9.716 -2.827 1.00 0.00 O ATOM 0 H TYR A 65 1.596 -6.325 -7.850 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.155 -5.971 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.579 -4.901 -6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.741 -4.403 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.311 -6.076 -3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.667 -7.058 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.226 -8.020 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.582 -9.000 -5.270 1.00 0.00 H new ATOM 0 HH TYR A 65 4.601 -10.189 -3.409 1.00 0.00 H new ATOM 953 N TRP A 66 -0.693 -3.453 -5.763 1.00 0.00 N ATOM 954 CA TRP A 66 -1.328 -2.176 -6.067 1.00 0.00 C ATOM 955 C TRP A 66 -1.038 -1.151 -4.977 1.00 0.00 C ATOM 956 O TRP A 66 -0.684 -1.508 -3.853 1.00 0.00 O ATOM 957 CB TRP A 66 -2.839 -2.360 -6.222 1.00 0.00 C ATOM 958 CG TRP A 66 -3.223 -3.077 -7.481 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.271 -4.428 -7.672 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.611 -2.481 -8.724 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.667 -4.709 -8.957 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.880 -3.530 -9.623 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.757 -1.162 -9.163 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.288 -3.301 -10.935 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.162 -0.936 -10.466 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.423 -2.000 -11.338 1.00 0.00 C ATOM 0 H TRP A 66 -0.739 -3.723 -4.781 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.915 -1.807 -7.006 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.220 -2.916 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.320 -1.382 -6.208 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.032 -5.168 -6.922 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.784 -5.643 -9.351 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.557 -0.335 -8.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.490 -4.120 -11.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.279 0.079 -10.817 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.737 -1.790 -12.350 1.00 0.00 H new ATOM 977 N VAL A 67 -1.187 0.125 -5.316 1.00 0.00 N ATOM 978 CA VAL A 67 -0.940 1.202 -4.366 1.00 0.00 C ATOM 979 C VAL A 67 -2.073 2.222 -4.381 1.00 0.00 C ATOM 980 O VAL A 67 -2.360 2.831 -5.411 1.00 0.00 O ATOM 981 CB VAL A 67 0.388 1.923 -4.667 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.722 2.913 -3.561 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.513 0.915 -4.849 1.00 0.00 C ATOM 0 H VAL A 67 -1.478 0.438 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.882 0.744 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 67 0.275 2.479 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.663 3.412 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.073 3.655 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.815 2.382 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.443 1.442 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.628 0.329 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.275 0.251 -5.680 1.00 0.00 H new ATOM 993 N GLY A 68 -2.713 2.405 -3.231 1.00 0.00 N ATOM 994 CA GLY A 68 -3.807 3.353 -3.133 1.00 0.00 C ATOM 995 C GLY A 68 -3.330 4.753 -2.799 1.00 0.00 C ATOM 996 O GLY A 68 -2.546 4.942 -1.868 1.00 0.00 O ATOM 0 H GLY A 68 -2.493 1.913 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.352 3.373 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.507 3.018 -2.367 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.801 5.734 -3.560 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.416 7.123 -3.339 1.00 0.00 C ATOM 1002 C VAL A 69 -4.609 8.059 -3.512 1.00 0.00 C ATOM 1003 O VAL A 69 -5.349 7.963 -4.490 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.296 7.556 -4.304 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.771 8.933 -3.929 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.171 6.532 -4.310 1.00 0.00 C ATOM 0 H VAL A 69 -4.449 5.594 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.050 7.190 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.710 7.612 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.981 9.222 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.583 9.659 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.373 8.907 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.389 6.855 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.757 6.441 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.560 5.566 -4.631 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.786 8.963 -2.554 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.888 9.917 -2.600 1.00 0.00 C ATOM 1018 C ARG A 70 -5.398 11.294 -3.036 1.00 0.00 C ATOM 1019 O ARG A 70 -4.324 11.738 -2.632 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.564 10.014 -1.231 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.811 10.885 -1.228 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.748 11.952 -0.147 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.597 12.837 -0.318 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.109 13.615 0.645 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -6.668 13.621 1.849 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.060 14.389 0.404 1.00 0.00 N ATOM 0 H ARG A 70 -4.181 9.055 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.613 9.561 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.830 9.012 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.850 10.413 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.926 11.360 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.691 10.261 -1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.665 12.542 -0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.696 11.474 0.831 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.141 12.859 -1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.475 13.027 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.290 14.219 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.627 14.388 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.686 14.985 1.142 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.194 11.965 -3.864 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.841 13.291 -4.356 1.00 0.00 C ATOM 1042 C TYR A 71 -6.575 14.375 -3.573 1.00 0.00 C ATOM 1043 O TYR A 71 -7.628 14.125 -2.988 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.170 13.410 -5.845 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.612 12.281 -6.682 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.272 12.258 -7.047 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.427 11.238 -7.105 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.760 11.227 -7.812 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.921 10.204 -7.870 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.587 10.203 -8.220 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.080 9.175 -8.982 1.00 0.00 O ATOM 0 H TYR A 71 -7.087 11.612 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.769 13.429 -4.216 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.253 13.441 -5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.780 14.356 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.620 13.058 -6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.472 11.235 -6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.716 11.224 -8.089 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.567 9.401 -8.192 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.794 8.535 -9.184 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.010 15.578 -3.566 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.611 16.701 -2.855 1.00 0.00 C ATOM 1063 C ASP A 72 -7.931 17.109 -3.500 1.00 0.00 C ATOM 1064 O ASP A 72 -8.863 17.532 -2.815 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.648 17.890 -2.832 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.630 18.594 -1.489 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -6.671 19.165 -1.104 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -4.574 18.571 -0.822 1.00 0.00 O ATOM 0 H ASP A 72 -5.137 15.800 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.812 16.387 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.642 17.544 -3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.934 18.600 -3.608 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.004 16.982 -4.821 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.210 17.338 -5.558 1.00 0.00 C ATOM 1075 C GLU A 73 -9.922 16.090 -6.075 1.00 0.00 C ATOM 1076 O GLU A 73 -9.292 15.059 -6.309 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.865 18.262 -6.727 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.095 19.506 -6.312 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.819 20.789 -6.671 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -10.068 20.787 -6.666 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -8.138 21.796 -6.958 1.00 0.00 O ATOM 0 H GLU A 73 -7.241 16.635 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.880 17.861 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.276 17.707 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.786 18.564 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.923 19.480 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.116 19.499 -6.792 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.251 16.169 -6.262 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.047 15.040 -6.755 1.00 0.00 C ATOM 1090 C PRO A 74 -11.765 14.730 -8.221 1.00 0.00 C ATOM 1091 O PRO A 74 -12.388 15.299 -9.117 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.490 15.518 -6.578 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.404 17.005 -6.625 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.080 17.362 -6.009 1.00 0.00 C ATOM 0 HA PRO A 74 -11.821 14.118 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.134 15.133 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.908 15.175 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.468 17.367 -7.651 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.227 17.461 -6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.651 18.253 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.175 17.566 -4.943 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.822 13.823 -8.458 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.457 13.438 -9.816 1.00 0.00 C ATOM 1104 C LEU A 75 -10.030 11.975 -9.869 1.00 0.00 C ATOM 1105 O LEU A 75 -9.188 11.593 -10.683 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.329 14.330 -10.336 1.00 0.00 C ATOM 1107 CG LEU A 75 -9.634 15.828 -10.333 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -8.370 16.631 -10.598 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -10.701 16.156 -11.367 1.00 0.00 C ATOM 0 H LEU A 75 -10.298 13.342 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.333 13.566 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.440 14.155 -9.731 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.086 14.026 -11.354 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.013 16.100 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.607 17.695 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.635 16.419 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.961 16.356 -11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.906 17.226 -11.351 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.348 15.868 -12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.614 15.608 -11.134 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.614 11.160 -8.998 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.280 9.747 -8.963 1.00 0.00 C ATOM 1123 C GLY A 76 -11.372 8.879 -9.555 1.00 0.00 C ATOM 1124 O GLY A 76 -12.438 9.374 -9.924 1.00 0.00 O ATOM 0 H GLY A 76 -11.313 11.452 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.352 9.582 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.099 9.445 -7.931 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.107 7.579 -9.648 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.076 6.639 -10.200 1.00 0.00 C ATOM 1130 C LYS A 77 -12.292 5.457 -9.259 1.00 0.00 C ATOM 1131 O LYS A 77 -12.715 4.383 -9.685 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.606 6.137 -11.567 1.00 0.00 C ATOM 1133 CG LYS A 77 -11.144 7.247 -12.497 1.00 0.00 C ATOM 1134 CD LYS A 77 -12.053 7.376 -13.710 1.00 0.00 C ATOM 1135 CE LYS A 77 -13.081 8.480 -13.520 1.00 0.00 C ATOM 1136 NZ LYS A 77 -14.054 8.532 -14.646 1.00 0.00 N ATOM 0 H LYS A 77 -10.230 7.153 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.025 7.163 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.788 5.431 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.420 5.590 -12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.124 8.192 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.124 7.046 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.453 7.585 -14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.563 6.429 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.617 8.320 -12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.572 9.440 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.738 9.297 -14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.546 8.710 -15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.559 7.625 -14.711 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.998 5.660 -7.977 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.161 4.609 -6.980 1.00 0.00 C ATOM 1152 C ASN A 78 -12.382 5.207 -5.594 1.00 0.00 C ATOM 1153 O ASN A 78 -11.617 6.061 -5.147 1.00 0.00 O ATOM 1154 CB ASN A 78 -10.935 3.695 -6.964 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.558 3.208 -8.349 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -9.569 3.657 -8.930 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.347 2.285 -8.888 1.00 0.00 N ATOM 0 H ASN A 78 -11.646 6.542 -7.606 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.039 4.021 -7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.092 4.231 -6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.133 2.837 -6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.143 1.920 -9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.156 1.941 -8.371 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.433 4.752 -4.919 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.753 5.242 -3.583 1.00 0.00 C ATOM 1166 C ASP A 79 -12.925 4.521 -2.525 1.00 0.00 C ATOM 1167 O ASP A 79 -12.591 5.093 -1.487 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.244 5.058 -3.294 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.664 3.601 -3.329 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.106 2.842 -4.149 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.550 3.220 -2.536 1.00 0.00 O ATOM 0 H ASP A 79 -14.077 4.045 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.510 6.304 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.476 5.477 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.825 5.619 -4.026 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.598 3.262 -2.794 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.811 2.483 -1.855 1.00 0.00 C ATOM 1178 C GLY A 80 -12.204 1.019 -1.843 1.00 0.00 C ATOM 1179 O GLY A 80 -11.371 0.144 -2.078 1.00 0.00 O ATOM 0 H GLY A 80 -12.864 2.767 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.755 2.570 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.932 2.897 -0.854 1.00 0.00 H new ATOM 1183 N SER A 81 -13.478 0.753 -1.569 1.00 0.00 N ATOM 1184 CA SER A 81 -13.981 -0.614 -1.528 1.00 0.00 C ATOM 1185 C SER A 81 -14.206 -1.154 -2.936 1.00 0.00 C ATOM 1186 O SER A 81 -15.016 -0.621 -3.694 1.00 0.00 O ATOM 1187 CB SER A 81 -15.286 -0.676 -0.732 1.00 0.00 C ATOM 1188 OG SER A 81 -16.034 0.518 -0.885 1.00 0.00 O ATOM 0 H SER A 81 -14.180 1.467 -1.372 1.00 0.00 H new ATOM 0 HA SER A 81 -13.232 -1.235 -1.035 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.880 -1.526 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.065 -0.838 0.323 1.00 0.00 H new ATOM 0 HG SER A 81 -16.864 0.453 -0.368 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.483 -2.215 -3.281 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.604 -2.827 -4.598 1.00 0.00 C ATOM 1196 C VAL A 82 -13.823 -4.331 -4.486 1.00 0.00 C ATOM 1197 O VAL A 82 -13.010 -5.046 -3.902 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.352 -2.566 -5.457 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.582 -3.026 -6.889 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.974 -1.093 -5.417 1.00 0.00 C ATOM 0 H VAL A 82 -12.807 -2.668 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.468 -2.370 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.524 -3.141 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.687 -2.834 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.800 -4.094 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.424 -2.480 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.088 -0.928 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.799 -0.495 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.764 -0.799 -4.389 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.929 -4.806 -5.051 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.256 -6.226 -5.015 1.00 0.00 C ATOM 1212 C ASN A 83 -15.410 -6.712 -3.579 1.00 0.00 C ATOM 1213 O ASN A 83 -15.025 -7.834 -3.246 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.174 -7.038 -5.729 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.454 -7.196 -7.211 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.286 -8.277 -7.775 1.00 0.00 O ATOM 1217 ND2 ASN A 83 -14.884 -6.114 -7.851 1.00 0.00 N ATOM 0 H ASN A 83 -15.613 -4.228 -5.539 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.206 -6.368 -5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.209 -6.550 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.100 -8.023 -5.269 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.089 -6.160 -8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.009 -5.238 -7.344 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.974 -5.861 -2.728 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.168 -6.221 -1.336 1.00 0.00 C ATOM 1226 C GLY A 84 -14.868 -6.257 -0.560 1.00 0.00 C ATOM 1227 O GLY A 84 -14.737 -7.003 0.411 1.00 0.00 O ATOM 0 H GLY A 84 -16.300 -4.928 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.846 -5.506 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.648 -7.198 -1.280 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.903 -5.450 -0.988 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.604 -5.391 -0.326 1.00 0.00 C ATOM 1233 C LYS A 85 -12.212 -3.949 -0.024 1.00 0.00 C ATOM 1234 O LYS A 85 -12.001 -3.148 -0.935 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.535 -6.057 -1.197 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.823 -7.211 -0.510 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.783 -6.713 0.481 1.00 0.00 C ATOM 1238 CE LYS A 85 -9.436 -7.779 1.507 1.00 0.00 C ATOM 1239 NZ LYS A 85 -8.816 -7.195 2.728 1.00 0.00 N ATOM 0 H LYS A 85 -13.996 -4.827 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.678 -5.930 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.000 -6.421 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.798 -5.309 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.553 -7.833 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.342 -7.840 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.882 -6.415 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.159 -5.826 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.339 -8.324 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.751 -8.501 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.595 -7.955 3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.941 -6.697 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.479 -6.525 3.167 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.114 -3.624 1.260 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.746 -2.277 1.682 1.00 0.00 C ATOM 1255 C ARG A 86 -10.232 -2.138 1.795 1.00 0.00 C ATOM 1256 O ARG A 86 -9.529 -3.105 2.086 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.400 -1.943 3.025 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.519 -0.451 3.289 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.348 -0.131 4.765 1.00 0.00 C ATOM 1260 NE ARG A 86 -10.993 0.317 5.074 1.00 0.00 N ATOM 1261 CZ ARG A 86 -10.477 0.324 6.301 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -11.198 -0.091 7.335 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -9.234 0.748 6.495 1.00 0.00 N ATOM 0 H ARG A 86 -12.284 -4.275 2.027 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.103 -1.577 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.394 -2.390 3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.819 -2.400 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.766 0.083 2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.492 -0.097 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.060 0.642 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.581 -1.016 5.357 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.408 0.644 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.154 -0.418 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.797 -0.083 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.675 1.068 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.838 0.754 7.435 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.735 -0.927 1.562 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.303 -0.659 1.637 1.00 0.00 C ATOM 1279 C TYR A 87 -8.023 0.561 2.506 1.00 0.00 C ATOM 1280 O TYR A 87 -7.158 0.528 3.381 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.730 -0.446 0.236 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.873 -1.649 -0.669 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -9.081 -1.934 -1.292 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.799 -2.501 -0.898 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.216 -3.033 -2.118 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.926 -3.602 -1.724 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.136 -3.864 -2.331 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.267 -4.959 -3.153 1.00 0.00 O ATOM 0 H TYR A 87 -10.303 -0.115 1.320 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.819 -1.524 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.229 0.406 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.674 -0.189 0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.929 -1.286 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.850 -2.300 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.163 -3.241 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.082 -4.254 -1.893 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.183 -5.000 -3.500 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.760 1.639 2.258 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.590 2.873 3.017 1.00 0.00 C ATOM 1300 C PHE A 88 -9.942 3.498 3.346 1.00 0.00 C ATOM 1301 O PHE A 88 -10.971 3.095 2.805 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.733 3.866 2.231 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.173 4.041 0.805 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.210 4.902 0.487 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.550 3.341 -0.216 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.617 5.065 -0.824 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -7.953 3.499 -1.528 1.00 0.00 C ATOM 1308 CZ PHE A 88 -8.988 4.362 -1.833 1.00 0.00 C ATOM 0 H PHE A 88 -9.481 1.683 1.537 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.085 2.630 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.760 4.833 2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.696 3.529 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.707 5.453 1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.741 2.665 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.426 5.741 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.459 2.948 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.305 4.487 -2.858 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.931 4.484 4.237 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.157 5.164 4.638 1.00 0.00 C ATOM 1320 C GLU A 89 -11.198 6.583 4.081 1.00 0.00 C ATOM 1321 O GLU A 89 -10.615 7.504 4.654 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.271 5.199 6.164 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.039 3.848 6.821 1.00 0.00 C ATOM 1324 CD GLU A 89 -10.178 3.945 8.065 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.673 4.452 9.093 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -9.007 3.512 8.011 1.00 0.00 O ATOM 0 H GLU A 89 -9.087 4.830 4.695 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.001 4.608 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.549 5.914 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.262 5.562 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.000 3.405 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.563 3.177 6.106 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.892 6.753 2.960 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.010 8.060 2.323 1.00 0.00 C ATOM 1335 C CYS A 90 -13.320 8.172 1.550 1.00 0.00 C ATOM 1336 O CYS A 90 -14.118 7.235 1.523 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.827 8.301 1.383 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.437 9.164 2.153 1.00 0.00 S ATOM 0 H CYS A 90 -12.381 6.002 2.474 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.004 8.820 3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.479 7.341 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.170 8.880 0.525 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.386 8.863 3.417 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.536 9.324 0.924 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.749 9.559 0.150 1.00 0.00 C ATOM 1346 C GLN A 91 -14.629 8.956 -1.246 1.00 0.00 C ATOM 1347 O GLN A 91 -13.592 8.396 -1.605 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.032 11.060 0.052 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.452 11.437 0.443 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.340 11.693 -0.760 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.110 12.627 -1.528 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.362 10.861 -0.928 1.00 0.00 N ATOM 0 H GLN A 91 -12.886 10.110 0.938 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.579 9.074 0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.333 11.596 0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -14.845 11.391 -0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -16.884 10.637 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.428 12.329 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.514 10.100 -0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.994 10.983 -1.719 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.695 9.072 -2.030 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.710 8.539 -3.387 1.00 0.00 C ATOM 1363 C ALA A 92 -15.065 9.513 -4.366 1.00 0.00 C ATOM 1364 O ALA A 92 -15.109 10.728 -4.169 1.00 0.00 O ATOM 1365 CB ALA A 92 -17.134 8.222 -3.813 1.00 0.00 C ATOM 0 H ALA A 92 -16.561 9.531 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.127 7.618 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.130 7.825 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.560 7.482 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.734 9.131 -3.781 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.468 8.973 -5.424 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.815 9.795 -6.436 1.00 0.00 C ATOM 1373 C LYS A 93 -12.678 10.610 -5.824 1.00 0.00 C ATOM 1374 O LYS A 93 -12.638 11.834 -5.951 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.832 10.727 -7.098 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.602 10.078 -8.237 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.597 9.050 -7.722 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.784 9.715 -7.043 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.636 10.458 -8.013 1.00 0.00 N ATOM 0 H LYS A 93 -14.423 7.970 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.394 9.133 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.539 11.074 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.313 11.607 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.130 10.845 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.904 9.598 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.948 8.435 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.101 8.383 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.384 8.958 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.425 10.401 -6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.564 10.649 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.177 11.358 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.762 9.887 -8.873 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.757 9.922 -5.160 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.620 10.580 -4.528 1.00 0.00 C ATOM 1395 C TYR A 94 -9.440 9.622 -4.395 1.00 0.00 C ATOM 1396 O TYR A 94 -8.308 9.964 -4.739 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.015 11.115 -3.150 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.736 12.442 -3.199 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.074 13.600 -3.585 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.080 12.537 -2.857 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.731 14.816 -3.631 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.743 13.748 -2.901 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.065 14.884 -3.288 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.722 16.092 -3.331 1.00 0.00 O ATOM 0 H TYR A 94 -11.775 8.909 -5.045 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.317 11.414 -5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.653 10.383 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.118 11.221 -2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.029 13.550 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.615 11.650 -2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.202 15.708 -3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.788 13.804 -2.633 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.656 15.966 -3.061 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.712 8.421 -3.895 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.664 7.434 -3.725 1.00 0.00 C ATOM 1416 C GLY A 95 -8.564 6.483 -4.902 1.00 0.00 C ATOM 1417 O GLY A 95 -9.168 5.412 -4.896 1.00 0.00 O ATOM 0 H GLY A 95 -10.640 8.114 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.709 7.942 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.852 6.863 -2.816 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.797 6.877 -5.914 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.620 6.051 -7.103 1.00 0.00 C ATOM 1423 C ALA A 96 -6.696 4.872 -6.817 1.00 0.00 C ATOM 1424 O ALA A 96 -6.113 4.775 -5.737 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.072 6.887 -8.250 1.00 0.00 C ATOM 0 H ALA A 96 -7.289 7.761 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.594 5.656 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.945 6.258 -9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.769 7.693 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.109 7.310 -7.964 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.567 3.977 -7.792 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.715 2.803 -7.644 1.00 0.00 C ATOM 1433 C PHE A 97 -4.691 2.725 -8.772 1.00 0.00 C ATOM 1434 O PHE A 97 -5.047 2.524 -9.934 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.564 1.532 -7.619 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.331 1.348 -6.342 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.667 1.235 -5.131 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.715 1.289 -6.350 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.369 1.066 -3.953 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.423 1.121 -5.175 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.750 1.009 -3.975 1.00 0.00 C ATOM 0 H PHE A 97 -7.042 4.043 -8.692 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.178 2.892 -6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.265 1.556 -8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.916 0.669 -7.772 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.588 1.280 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.247 1.375 -7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.839 0.979 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.502 1.077 -5.196 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.301 0.877 -3.056 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.419 2.882 -8.421 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.342 2.827 -9.402 1.00 0.00 C ATOM 1453 C VAL A 98 -1.311 1.769 -9.025 1.00 0.00 C ATOM 1454 O VAL A 98 -1.374 1.187 -7.942 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.636 4.189 -9.541 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.502 5.164 -10.323 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.288 4.753 -8.171 1.00 0.00 C ATOM 0 H VAL A 98 -3.109 3.048 -7.464 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.797 2.565 -10.357 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.708 4.041 -10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.986 6.120 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.694 4.763 -11.318 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.448 5.309 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.790 5.715 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.200 4.886 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.624 4.062 -7.651 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.363 1.525 -9.923 1.00 0.00 N ATOM 1468 CA LYS A 99 0.680 0.534 -9.682 1.00 0.00 C ATOM 1469 C LYS A 99 1.961 1.199 -9.185 1.00 0.00 C ATOM 1470 O LYS A 99 2.245 2.348 -9.521 1.00 0.00 O ATOM 1471 CB LYS A 99 0.965 -0.258 -10.959 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.269 -0.914 -11.555 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.791 -2.033 -10.667 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.190 -3.377 -11.048 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.240 -4.401 -11.303 1.00 0.00 N ATOM 0 H LYS A 99 -0.295 1.999 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 99 0.325 -0.149 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.405 0.409 -11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.706 -1.027 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.049 -0.165 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.030 -1.312 -12.541 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.557 -1.811 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.877 -2.084 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.427 -3.260 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.466 -3.721 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.954 -5.305 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.139 -4.089 -10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.362 -4.525 -12.328 1.00 0.00 H new ATOM 1489 N PRO A 100 2.757 0.479 -8.370 1.00 0.00 N ATOM 1490 CA PRO A 100 4.012 1.004 -7.831 1.00 0.00 C ATOM 1491 C PRO A 100 4.837 1.681 -8.914 1.00 0.00 C ATOM 1492 O PRO A 100 5.244 2.835 -8.773 1.00 0.00 O ATOM 1493 CB PRO A 100 4.720 -0.246 -7.310 1.00 0.00 C ATOM 1494 CG PRO A 100 3.615 -1.179 -6.949 1.00 0.00 C ATOM 1495 CD PRO A 100 2.495 -0.902 -7.918 1.00 0.00 C ATOM 0 HA PRO A 100 3.858 1.763 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.372 -0.678 -8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.344 -0.017 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.943 -2.216 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.289 -1.017 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.504 -1.605 -8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.520 -0.988 -7.438 1.00 0.00 H new ATOM 1503 N SER A 101 5.054 0.960 -10.011 1.00 0.00 N ATOM 1504 CA SER A 101 5.802 1.498 -11.136 1.00 0.00 C ATOM 1505 C SER A 101 5.153 2.792 -11.611 1.00 0.00 C ATOM 1506 O SER A 101 5.808 3.647 -12.209 1.00 0.00 O ATOM 1507 CB SER A 101 5.851 0.484 -12.281 1.00 0.00 C ATOM 1508 OG SER A 101 6.193 1.110 -13.505 1.00 0.00 O ATOM 0 H SER A 101 4.722 0.004 -10.142 1.00 0.00 H new ATOM 0 HA SER A 101 6.823 1.704 -10.814 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.580 -0.293 -12.051 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.882 -0.006 -12.378 1.00 0.00 H new ATOM 0 HG SER A 101 6.219 0.440 -14.219 1.00 0.00 H new ATOM 1514 N ALA A 102 3.860 2.937 -11.320 1.00 0.00 N ATOM 1515 CA ALA A 102 3.124 4.133 -11.697 1.00 0.00 C ATOM 1516 C ALA A 102 3.179 5.173 -10.581 1.00 0.00 C ATOM 1517 O ALA A 102 2.843 6.339 -10.791 1.00 0.00 O ATOM 1518 CB ALA A 102 1.681 3.785 -12.029 1.00 0.00 C ATOM 0 H ALA A 102 3.305 2.239 -10.825 1.00 0.00 H new ATOM 0 HA ALA A 102 3.591 4.559 -12.585 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.143 4.691 -12.309 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.659 3.079 -12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.205 3.336 -11.157 1.00 0.00 H new ATOM 1524 N VAL A 103 3.606 4.746 -9.392 1.00 0.00 N ATOM 1525 CA VAL A 103 3.704 5.648 -8.250 1.00 0.00 C ATOM 1526 C VAL A 103 5.120 6.194 -8.102 1.00 0.00 C ATOM 1527 O VAL A 103 6.070 5.437 -7.899 1.00 0.00 O ATOM 1528 CB VAL A 103 3.299 4.944 -6.941 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.216 5.944 -5.799 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.976 4.213 -7.116 1.00 0.00 C ATOM 0 H VAL A 103 3.888 3.785 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 103 3.016 6.472 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 103 4.065 4.209 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.929 5.427 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.188 6.418 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.472 6.705 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.705 3.722 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.199 4.927 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.075 3.466 -7.904 1.00 0.00 H new ATOM 1540 N THR A 104 5.255 7.512 -8.208 1.00 0.00 N ATOM 1541 CA THR A 104 6.556 8.159 -8.087 1.00 0.00 C ATOM 1542 C THR A 104 6.663 8.932 -6.776 1.00 0.00 C ATOM 1543 O THR A 104 6.060 9.995 -6.620 1.00 0.00 O ATOM 1544 CB THR A 104 6.790 9.103 -9.268 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.593 8.427 -10.497 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.179 9.702 -9.289 1.00 0.00 C ATOM 0 H THR A 104 4.479 8.153 -8.377 1.00 0.00 H new ATOM 0 HA THR A 104 7.321 7.382 -8.092 1.00 0.00 H new ATOM 0 HB THR A 104 6.067 9.909 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.746 9.048 -11.240 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.278 10.361 -10.151 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.343 10.273 -8.375 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.918 8.904 -9.356 1.00 0.00 H new ATOM 1554 N VAL A 105 7.433 8.392 -5.838 1.00 0.00 N ATOM 1555 CA VAL A 105 7.620 9.031 -4.541 1.00 0.00 C ATOM 1556 C VAL A 105 8.515 10.260 -4.659 1.00 0.00 C ATOM 1557 O VAL A 105 9.424 10.301 -5.489 1.00 0.00 O ATOM 1558 CB VAL A 105 8.233 8.058 -3.518 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.239 8.676 -2.128 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.480 6.737 -3.520 1.00 0.00 C ATOM 0 H VAL A 105 7.938 7.513 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 105 6.633 9.336 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 105 9.266 7.861 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.676 7.973 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.828 9.593 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.217 8.906 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.928 6.062 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.436 6.913 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.535 6.288 -4.512 1.00 0.00 H new ATOM 1570 N GLY A 106 8.253 11.259 -3.823 1.00 0.00 N ATOM 1571 CA GLY A 106 9.045 12.475 -3.850 1.00 0.00 C ATOM 1572 C GLY A 106 9.887 12.648 -2.602 1.00 0.00 C ATOM 1573 O GLY A 106 11.091 12.389 -2.615 1.00 0.00 O ATOM 0 H GLY A 106 7.507 11.249 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.696 12.461 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.383 13.334 -3.959 1.00 0.00 H new ATOM 1577 N ASP A 107 9.254 13.086 -1.518 1.00 0.00 N ATOM 1578 CA ASP A 107 9.952 13.293 -0.255 1.00 0.00 C ATOM 1579 C ASP A 107 9.963 12.014 0.576 1.00 0.00 C ATOM 1580 O ASP A 107 9.029 11.215 0.516 1.00 0.00 O ATOM 1581 CB ASP A 107 9.293 14.424 0.536 1.00 0.00 C ATOM 1582 CG ASP A 107 10.289 15.192 1.384 1.00 0.00 C ATOM 1583 OD1 ASP A 107 11.062 14.546 2.122 1.00 0.00 O ATOM 1584 OD2 ASP A 107 10.294 16.439 1.311 1.00 0.00 O ATOM 0 H ASP A 107 8.258 13.304 -1.490 1.00 0.00 H new ATOM 0 HA ASP A 107 10.983 13.568 -0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.803 15.110 -0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.516 14.010 1.178 1.00 0.00 H new ATOM 1589 N SER A 108 11.026 11.827 1.352 1.00 0.00 N ATOM 1590 CA SER A 108 11.158 10.646 2.196 1.00 0.00 C ATOM 1591 C SER A 108 10.629 10.919 3.600 1.00 0.00 C ATOM 1592 O SER A 108 11.103 11.824 4.288 1.00 0.00 O ATOM 1593 CB SER A 108 12.620 10.204 2.265 1.00 0.00 C ATOM 1594 OG SER A 108 13.001 9.513 1.087 1.00 0.00 O ATOM 0 H SER A 108 11.808 12.479 1.413 1.00 0.00 H new ATOM 0 HA SER A 108 10.565 9.846 1.754 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.260 11.075 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.768 9.560 3.132 1.00 0.00 H new ATOM 0 HG SER A 108 13.940 9.243 1.156 1.00 0.00 H new ATOM 1600 N GLY A 109 9.646 10.131 4.020 1.00 0.00 N ATOM 1601 CA GLY A 109 9.069 10.303 5.342 1.00 0.00 C ATOM 1602 C GLY A 109 9.281 9.091 6.231 1.00 0.00 C ATOM 1603 O GLY A 109 8.342 8.338 6.489 1.00 0.00 O ATOM 0 H GLY A 109 9.238 9.376 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.511 11.179 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.001 10.497 5.246 1.00 0.00 H new ATOM 1607 N PRO A 110 10.514 8.875 6.718 1.00 0.00 N ATOM 1608 CA PRO A 110 10.832 7.737 7.586 1.00 0.00 C ATOM 1609 C PRO A 110 10.203 7.870 8.969 1.00 0.00 C ATOM 1610 O PRO A 110 9.394 8.767 9.209 1.00 0.00 O ATOM 1611 CB PRO A 110 12.358 7.781 7.688 1.00 0.00 C ATOM 1612 CG PRO A 110 12.713 9.205 7.439 1.00 0.00 C ATOM 1613 CD PRO A 110 11.694 9.723 6.463 1.00 0.00 C ATOM 0 HA PRO A 110 10.445 6.800 7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.699 7.454 8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.823 7.123 6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.693 9.779 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 110 13.721 9.290 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.475 10.777 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.040 9.631 5.434 1.00 0.00 H new ATOM 1621 N SER A 111 10.579 6.972 9.875 1.00 0.00 N ATOM 1622 CA SER A 111 10.050 6.991 11.233 1.00 0.00 C ATOM 1623 C SER A 111 11.084 6.469 12.227 1.00 0.00 C ATOM 1624 O SER A 111 10.741 5.789 13.194 1.00 0.00 O ATOM 1625 CB SER A 111 8.774 6.150 11.318 1.00 0.00 C ATOM 1626 OG SER A 111 7.637 6.911 10.947 1.00 0.00 O ATOM 0 H SER A 111 11.247 6.223 9.693 1.00 0.00 H new ATOM 0 HA SER A 111 9.814 8.024 11.490 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.863 5.281 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.649 5.775 12.334 1.00 0.00 H new ATOM 0 HG SER A 111 7.912 7.645 10.359 1.00 0.00 H new ATOM 1632 N SER A 112 12.349 6.791 11.981 1.00 0.00 N ATOM 1633 CA SER A 112 13.432 6.355 12.855 1.00 0.00 C ATOM 1634 C SER A 112 14.624 7.302 12.758 1.00 0.00 C ATOM 1635 O SER A 112 15.405 7.238 11.808 1.00 0.00 O ATOM 1636 CB SER A 112 13.865 4.933 12.495 1.00 0.00 C ATOM 1637 OG SER A 112 14.376 4.252 13.627 1.00 0.00 O ATOM 0 H SER A 112 12.650 7.352 11.184 1.00 0.00 H new ATOM 0 HA SER A 112 13.064 6.366 13.881 1.00 0.00 H new ATOM 0 HB2 SER A 112 13.016 4.383 12.089 1.00 0.00 H new ATOM 0 HB3 SER A 112 14.625 4.968 11.714 1.00 0.00 H new ATOM 0 HG SER A 112 14.644 3.345 13.370 1.00 0.00 H new ATOM 1643 N GLY A 113 14.759 8.179 13.746 1.00 0.00 N ATOM 1644 CA GLY A 113 15.859 9.126 13.754 1.00 0.00 C ATOM 1645 C GLY A 113 17.077 8.594 14.482 1.00 0.00 C ATOM 1646 O GLY A 113 16.969 8.310 15.693 1.00 0.00 O ATOM 1647 OXT GLY A 113 18.140 8.459 13.840 1.00 0.00 O ATOM 0 H GLY A 113 14.126 8.251 14.542 1.00 0.00 H new ATOM 0 HA2 GLY A 113 16.131 9.370 12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.533 10.053 14.227 1.00 0.00 H new TER 1651 GLY A 113