USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 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+ -175:sc= 0 (180deg=-0.0358) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00694 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 9 SER OG : rot 180:sc= 0.0018 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-2.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.3 (180deg=-1.23) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0564 X(o=-0.056,f=-0.056) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.978 K(o=-0.98,f=-1.6) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.73! K(o=-3.7!,f=-1) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 76 SER OG : rot 21:sc= 1.21 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.870 -5.394 -19.208 1.00 0.00 N ATOM 2 CA GLY A 1 18.085 -4.205 -19.479 1.00 0.00 C ATOM 3 C GLY A 1 17.887 -3.967 -20.963 1.00 0.00 C ATOM 4 O GLY A 1 16.795 -3.604 -21.400 1.00 0.00 O ATOM 0 H1 GLY A 1 18.906 -5.560 -18.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.432 -6.213 -19.676 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.836 -5.263 -19.571 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.112 -4.298 -18.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.579 -3.339 -19.038 1.00 0.00 H new ATOM 8 N SER A 2 18.946 -4.169 -21.739 1.00 0.00 N ATOM 9 CA SER A 2 18.886 -3.968 -23.183 1.00 0.00 C ATOM 10 C SER A 2 17.662 -4.660 -23.776 1.00 0.00 C ATOM 11 O SER A 2 16.829 -4.025 -24.422 1.00 0.00 O ATOM 12 CB SER A 2 20.158 -4.499 -23.846 1.00 0.00 C ATOM 13 OG SER A 2 20.301 -3.984 -25.159 1.00 0.00 O ATOM 0 H SER A 2 19.856 -4.472 -21.393 1.00 0.00 H new ATOM 0 HA SER A 2 18.805 -2.898 -23.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.026 -4.224 -23.247 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.127 -5.588 -23.880 1.00 0.00 H new ATOM 0 HG SER A 2 21.122 -4.337 -25.561 1.00 0.00 H new ATOM 19 N SER A 3 17.561 -5.966 -23.552 1.00 0.00 N ATOM 20 CA SER A 3 16.442 -6.746 -24.067 1.00 0.00 C ATOM 21 C SER A 3 15.245 -6.667 -23.124 1.00 0.00 C ATOM 22 O SER A 3 15.363 -6.203 -21.991 1.00 0.00 O ATOM 23 CB SER A 3 16.857 -8.206 -24.260 1.00 0.00 C ATOM 24 OG SER A 3 15.910 -8.905 -25.049 1.00 0.00 O ATOM 0 H SER A 3 18.241 -6.506 -23.017 1.00 0.00 H new ATOM 0 HA SER A 3 16.152 -6.327 -25.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.836 -8.249 -24.738 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.955 -8.691 -23.289 1.00 0.00 H new ATOM 0 HG SER A 3 16.199 -9.835 -25.159 1.00 0.00 H new ATOM 30 N GLY A 4 14.092 -7.124 -23.603 1.00 0.00 N ATOM 31 CA GLY A 4 12.889 -7.095 -22.792 1.00 0.00 C ATOM 32 C GLY A 4 12.177 -8.434 -22.763 1.00 0.00 C ATOM 33 O GLY A 4 11.399 -8.750 -23.663 1.00 0.00 O ATOM 0 H GLY A 4 13.970 -7.514 -24.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.147 -6.802 -21.774 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.211 -6.335 -23.180 1.00 0.00 H new ATOM 37 N SER A 5 12.445 -9.223 -21.727 1.00 0.00 N ATOM 38 CA SER A 5 11.829 -10.537 -21.588 1.00 0.00 C ATOM 39 C SER A 5 10.723 -10.510 -20.538 1.00 0.00 C ATOM 40 O SER A 5 10.655 -9.596 -19.715 1.00 0.00 O ATOM 41 CB SER A 5 12.882 -11.580 -21.209 1.00 0.00 C ATOM 42 OG SER A 5 13.578 -12.041 -22.354 1.00 0.00 O ATOM 0 H SER A 5 13.084 -8.975 -20.972 1.00 0.00 H new ATOM 0 HA SER A 5 11.389 -10.808 -22.548 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.588 -11.148 -20.500 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.402 -12.421 -20.708 1.00 0.00 H new ATOM 0 HG SER A 5 14.246 -12.705 -22.085 1.00 0.00 H new ATOM 48 N SER A 6 9.858 -11.518 -20.572 1.00 0.00 N ATOM 49 CA SER A 6 8.751 -11.609 -19.627 1.00 0.00 C ATOM 50 C SER A 6 9.166 -11.088 -18.254 1.00 0.00 C ATOM 51 O SER A 6 10.262 -11.373 -17.774 1.00 0.00 O ATOM 52 CB SER A 6 8.269 -13.056 -19.511 1.00 0.00 C ATOM 53 OG SER A 6 7.357 -13.206 -18.437 1.00 0.00 O ATOM 0 H SER A 6 9.902 -12.284 -21.244 1.00 0.00 H new ATOM 0 HA SER A 6 7.935 -10.991 -20.000 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.791 -13.359 -20.443 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.123 -13.716 -19.361 1.00 0.00 H new ATOM 0 HG SER A 6 7.063 -14.139 -18.386 1.00 0.00 H new ATOM 59 N GLY A 7 8.280 -10.320 -17.627 1.00 0.00 N ATOM 60 CA GLY A 7 8.571 -9.770 -16.316 1.00 0.00 C ATOM 61 C GLY A 7 7.683 -10.352 -15.233 1.00 0.00 C ATOM 62 O GLY A 7 7.270 -11.508 -15.315 1.00 0.00 O ATOM 0 H GLY A 7 7.366 -10.069 -18.004 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.615 -9.962 -16.068 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.444 -8.688 -16.343 1.00 0.00 H new ATOM 66 N ASP A 8 7.392 -9.549 -14.215 1.00 0.00 N ATOM 67 CA ASP A 8 6.548 -9.991 -13.111 1.00 0.00 C ATOM 68 C ASP A 8 5.076 -9.723 -13.410 1.00 0.00 C ATOM 69 O ASP A 8 4.732 -8.716 -14.029 1.00 0.00 O ATOM 70 CB ASP A 8 6.955 -9.285 -11.817 1.00 0.00 C ATOM 71 CG ASP A 8 7.134 -7.791 -12.004 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.225 -7.376 -12.446 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.184 -7.037 -11.706 1.00 0.00 O ATOM 0 H ASP A 8 7.728 -8.590 -14.132 1.00 0.00 H new ATOM 0 HA ASP A 8 6.685 -11.065 -12.989 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.197 -9.465 -11.055 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.886 -9.716 -11.449 1.00 0.00 H new ATOM 78 N SER A 9 4.213 -10.632 -12.968 1.00 0.00 N ATOM 79 CA SER A 9 2.778 -10.496 -13.193 1.00 0.00 C ATOM 80 C SER A 9 2.180 -9.442 -12.266 1.00 0.00 C ATOM 81 O SER A 9 2.451 -9.431 -11.065 1.00 0.00 O ATOM 82 CB SER A 9 2.078 -11.839 -12.977 1.00 0.00 C ATOM 83 OG SER A 9 2.415 -12.393 -11.717 1.00 0.00 O ATOM 0 H SER A 9 4.482 -11.470 -12.452 1.00 0.00 H new ATOM 0 HA SER A 9 2.625 -10.176 -14.224 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.998 -11.704 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.361 -12.532 -13.770 1.00 0.00 H new ATOM 0 HG SER A 9 1.954 -13.250 -11.602 1.00 0.00 H new ATOM 89 N ILE A 10 1.366 -8.559 -12.832 1.00 0.00 N ATOM 90 CA ILE A 10 0.728 -7.502 -12.057 1.00 0.00 C ATOM 91 C ILE A 10 -0.633 -7.948 -11.534 1.00 0.00 C ATOM 92 O ILE A 10 -1.556 -8.201 -12.309 1.00 0.00 O ATOM 93 CB ILE A 10 0.549 -6.220 -12.893 1.00 0.00 C ATOM 94 CG1 ILE A 10 1.903 -5.727 -13.407 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.135 -5.141 -12.068 1.00 0.00 C ATOM 96 CD1 ILE A 10 1.795 -4.768 -14.571 1.00 0.00 C ATOM 0 H ILE A 10 1.132 -8.554 -13.825 1.00 0.00 H new ATOM 0 HA ILE A 10 1.386 -7.288 -11.215 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.083 -6.449 -13.751 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.436 -5.237 -12.592 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.502 -6.586 -13.709 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.254 -4.242 -12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.115 -5.495 -11.747 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.473 -4.912 -11.193 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.793 -4.460 -14.883 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.291 -5.260 -15.403 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.223 -3.891 -14.268 1.00 0.00 H new ATOM 108 N VAL A 11 -0.752 -8.042 -10.213 1.00 0.00 N ATOM 109 CA VAL A 11 -2.001 -8.455 -9.585 1.00 0.00 C ATOM 110 C VAL A 11 -2.706 -7.271 -8.933 1.00 0.00 C ATOM 111 O VAL A 11 -2.062 -6.321 -8.488 1.00 0.00 O ATOM 112 CB VAL A 11 -1.762 -9.545 -8.523 1.00 0.00 C ATOM 113 CG1 VAL A 11 -3.073 -9.943 -7.863 1.00 0.00 C ATOM 114 CG2 VAL A 11 -1.079 -10.754 -9.145 1.00 0.00 C ATOM 0 H VAL A 11 0.002 -7.838 -9.557 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.633 -8.861 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.104 -9.141 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.885 -10.714 -7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.517 -9.072 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.758 -10.329 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.918 -11.514 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.710 -11.162 -9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.119 -10.453 -9.566 1.00 0.00 H new ATOM 124 N SER A 12 -4.032 -7.335 -8.880 1.00 0.00 N ATOM 125 CA SER A 12 -4.826 -6.267 -8.285 1.00 0.00 C ATOM 126 C SER A 12 -5.544 -6.757 -7.032 1.00 0.00 C ATOM 127 O SER A 12 -6.142 -7.833 -7.026 1.00 0.00 O ATOM 128 CB SER A 12 -5.845 -5.736 -9.296 1.00 0.00 C ATOM 129 OG SER A 12 -5.234 -4.853 -10.220 1.00 0.00 O ATOM 0 H SER A 12 -4.580 -8.116 -9.242 1.00 0.00 H new ATOM 0 HA SER A 12 -4.150 -5.460 -8.003 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.299 -6.570 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.648 -5.219 -8.770 1.00 0.00 H new ATOM 0 HG SER A 12 -5.906 -4.529 -10.856 1.00 0.00 H new ATOM 135 N ALA A 13 -5.481 -5.959 -5.971 1.00 0.00 N ATOM 136 CA ALA A 13 -6.126 -6.310 -4.711 1.00 0.00 C ATOM 137 C ALA A 13 -7.189 -5.283 -4.335 1.00 0.00 C ATOM 138 O ALA A 13 -7.069 -4.103 -4.663 1.00 0.00 O ATOM 139 CB ALA A 13 -5.090 -6.430 -3.603 1.00 0.00 C ATOM 0 H ALA A 13 -4.990 -5.065 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.618 -7.274 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.586 -6.692 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.369 -7.205 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.572 -5.478 -3.484 1.00 0.00 H new ATOM 145 N GLU A 14 -8.229 -5.741 -3.646 1.00 0.00 N ATOM 146 CA GLU A 14 -9.314 -4.861 -3.226 1.00 0.00 C ATOM 147 C GLU A 14 -9.320 -4.689 -1.710 1.00 0.00 C ATOM 148 O GLU A 14 -9.510 -5.650 -0.966 1.00 0.00 O ATOM 149 CB GLU A 14 -10.661 -5.418 -3.693 1.00 0.00 C ATOM 150 CG GLU A 14 -11.853 -4.604 -3.218 1.00 0.00 C ATOM 151 CD GLU A 14 -13.095 -4.846 -4.054 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.103 -4.442 -5.236 1.00 0.00 O ATOM 153 OE2 GLU A 14 -14.059 -5.439 -3.526 1.00 0.00 O ATOM 0 H GLU A 14 -8.344 -6.715 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.154 -3.885 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.670 -5.459 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.765 -6.442 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.066 -4.851 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.600 -3.544 -3.248 1.00 0.00 H new ATOM 160 N ALA A 15 -9.109 -3.456 -1.260 1.00 0.00 N ATOM 161 CA ALA A 15 -9.092 -3.157 0.167 1.00 0.00 C ATOM 162 C ALA A 15 -10.415 -3.533 0.823 1.00 0.00 C ATOM 163 O ALA A 15 -11.422 -2.846 0.653 1.00 0.00 O ATOM 164 CB ALA A 15 -8.789 -1.683 0.392 1.00 0.00 C ATOM 0 H ALA A 15 -8.948 -2.649 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.306 -3.754 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.779 -1.473 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.815 -1.443 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.556 -1.076 -0.090 1.00 0.00 H new ATOM 170 N VAL A 16 -10.407 -4.631 1.574 1.00 0.00 N ATOM 171 CA VAL A 16 -11.608 -5.099 2.256 1.00 0.00 C ATOM 172 C VAL A 16 -11.760 -4.432 3.619 1.00 0.00 C ATOM 173 O VAL A 16 -12.869 -4.105 4.040 1.00 0.00 O ATOM 174 CB VAL A 16 -11.587 -6.627 2.444 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.623 -7.332 1.096 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.362 -7.049 3.242 1.00 0.00 C ATOM 0 H VAL A 16 -9.583 -5.212 1.725 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.456 -4.830 1.626 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.476 -6.918 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.607 -8.411 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.533 -7.054 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.754 -7.037 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.363 -8.132 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.460 -6.745 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.384 -6.572 4.222 1.00 0.00 H new ATOM 186 N TRP A 17 -10.639 -4.234 4.303 1.00 0.00 N ATOM 187 CA TRP A 17 -10.648 -3.606 5.619 1.00 0.00 C ATOM 188 C TRP A 17 -9.730 -2.389 5.647 1.00 0.00 C ATOM 189 O TRP A 17 -8.507 -2.521 5.598 1.00 0.00 O ATOM 190 CB TRP A 17 -10.217 -4.610 6.689 1.00 0.00 C ATOM 191 CG TRP A 17 -11.303 -5.568 7.076 1.00 0.00 C ATOM 192 CD1 TRP A 17 -12.133 -6.251 6.233 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.677 -5.947 8.405 1.00 0.00 C ATOM 194 NE1 TRP A 17 -13.000 -7.032 6.958 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.741 -6.864 8.293 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.217 -5.603 9.679 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -13.350 -7.438 9.406 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -11.822 -6.174 10.783 1.00 0.00 C ATOM 199 CH2 TRP A 17 -12.878 -7.083 10.641 1.00 0.00 C ATOM 0 H TRP A 17 -9.713 -4.499 3.968 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.665 -3.276 5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.358 -5.173 6.324 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.888 -4.067 7.575 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.111 -6.186 5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.720 -7.639 6.566 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.403 -4.903 9.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -14.165 -8.138 9.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.474 -5.915 11.772 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -13.329 -7.512 11.523 1.00 0.00 H new ATOM 210 N ASP A 18 -10.327 -1.205 5.728 1.00 0.00 N ATOM 211 CA ASP A 18 -9.562 0.036 5.764 1.00 0.00 C ATOM 212 C ASP A 18 -8.262 -0.150 6.540 1.00 0.00 C ATOM 213 O ASP A 18 -8.260 -0.679 7.652 1.00 0.00 O ATOM 214 CB ASP A 18 -10.392 1.154 6.396 1.00 0.00 C ATOM 215 CG ASP A 18 -10.852 0.811 7.799 1.00 0.00 C ATOM 216 OD1 ASP A 18 -11.891 0.132 7.934 1.00 0.00 O ATOM 217 OD2 ASP A 18 -10.173 1.223 8.764 1.00 0.00 O ATOM 0 H ASP A 18 -11.338 -1.078 5.770 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.316 0.312 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.801 2.070 6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.262 1.355 5.771 1.00 0.00 H new ATOM 222 N HIS A 19 -7.156 0.289 5.946 1.00 0.00 N ATOM 223 CA HIS A 19 -5.849 0.171 6.582 1.00 0.00 C ATOM 224 C HIS A 19 -5.371 1.524 7.099 1.00 0.00 C ATOM 225 O HIS A 19 -4.459 2.129 6.536 1.00 0.00 O ATOM 226 CB HIS A 19 -4.829 -0.400 5.596 1.00 0.00 C ATOM 227 CG HIS A 19 -3.410 -0.264 6.056 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.498 0.574 5.449 1.00 0.00 N ATOM 229 CD2 HIS A 19 -2.748 -0.865 7.073 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.337 0.481 6.071 1.00 0.00 C ATOM 231 NE2 HIS A 19 -1.461 -0.385 7.060 1.00 0.00 N ATOM 0 H HIS A 19 -7.139 0.729 5.026 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.945 -0.508 7.429 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.049 -1.454 5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.941 0.105 4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.156 -1.587 7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.438 1.022 5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.721 -0.654 7.709 1.00 0.00 H new ATOM 240 N VAL A 20 -5.995 1.995 8.175 1.00 0.00 N ATOM 241 CA VAL A 20 -5.634 3.277 8.768 1.00 0.00 C ATOM 242 C VAL A 20 -4.287 3.194 9.478 1.00 0.00 C ATOM 243 O VAL A 20 -4.196 2.709 10.606 1.00 0.00 O ATOM 244 CB VAL A 20 -6.702 3.751 9.771 1.00 0.00 C ATOM 245 CG1 VAL A 20 -7.811 4.505 9.053 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.265 2.571 10.549 1.00 0.00 C ATOM 0 H VAL A 20 -6.753 1.508 8.653 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.568 3.996 7.952 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.232 4.432 10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.557 4.832 9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.391 5.374 8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.281 3.850 8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.018 2.925 11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.720 1.863 9.857 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.461 2.079 11.096 1.00 0.00 H new ATOM 256 N THR A 21 -3.242 3.671 8.810 1.00 0.00 N ATOM 257 CA THR A 21 -1.899 3.651 9.376 1.00 0.00 C ATOM 258 C THR A 21 -1.538 5.002 9.984 1.00 0.00 C ATOM 259 O THR A 21 -1.950 6.048 9.484 1.00 0.00 O ATOM 260 CB THR A 21 -0.847 3.282 8.313 1.00 0.00 C ATOM 261 OG1 THR A 21 0.470 3.503 8.830 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.045 4.103 7.048 1.00 0.00 C ATOM 0 H THR A 21 -3.300 4.076 7.876 1.00 0.00 H new ATOM 0 HA THR A 21 -1.897 2.892 10.158 1.00 0.00 H new ATOM 0 HB THR A 21 -0.967 2.227 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.133 3.264 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.291 3.825 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.038 3.910 6.641 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.949 5.163 7.283 1.00 0.00 H new ATOM 270 N MET A 22 -0.767 4.971 11.066 1.00 0.00 N ATOM 271 CA MET A 22 -0.349 6.194 11.741 1.00 0.00 C ATOM 272 C MET A 22 1.054 6.604 11.305 1.00 0.00 C ATOM 273 O MET A 22 1.385 7.789 11.281 1.00 0.00 O ATOM 274 CB MET A 22 -0.388 6.003 13.259 1.00 0.00 C ATOM 275 CG MET A 22 -1.792 5.812 13.811 1.00 0.00 C ATOM 276 SD MET A 22 -1.896 6.159 15.577 1.00 0.00 S ATOM 277 CE MET A 22 -1.889 4.498 16.249 1.00 0.00 C ATOM 0 H MET A 22 -0.419 4.113 11.494 1.00 0.00 H new ATOM 0 HA MET A 22 -1.043 6.987 11.463 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.219 5.137 13.524 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.067 6.870 13.738 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.481 6.465 13.275 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.115 4.787 13.626 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.949 4.545 17.336 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.745 3.945 15.862 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.969 3.992 15.958 1.00 0.00 H new ATOM 287 N ALA A 23 1.874 5.617 10.960 1.00 0.00 N ATOM 288 CA ALA A 23 3.240 5.876 10.523 1.00 0.00 C ATOM 289 C ALA A 23 3.291 7.044 9.544 1.00 0.00 C ATOM 290 O ALA A 23 2.265 7.465 9.012 1.00 0.00 O ATOM 291 CB ALA A 23 3.837 4.628 9.891 1.00 0.00 C ATOM 0 H ALA A 23 1.616 4.630 10.975 1.00 0.00 H new ATOM 0 HA ALA A 23 3.831 6.144 11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.857 4.836 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.844 3.818 10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.238 4.334 9.029 1.00 0.00 H new ATOM 297 N ASN A 24 4.492 7.563 9.311 1.00 0.00 N ATOM 298 CA ASN A 24 4.676 8.684 8.397 1.00 0.00 C ATOM 299 C ASN A 24 3.852 8.491 7.127 1.00 0.00 C ATOM 300 O ASN A 24 3.427 7.379 6.814 1.00 0.00 O ATOM 301 CB ASN A 24 6.156 8.839 8.039 1.00 0.00 C ATOM 302 CG ASN A 24 6.904 9.703 9.036 1.00 0.00 C ATOM 303 OD1 ASN A 24 7.440 9.205 10.026 1.00 0.00 O ATOM 304 ND2 ASN A 24 6.944 11.005 8.778 1.00 0.00 N ATOM 0 H ASN A 24 5.352 7.225 9.743 1.00 0.00 H new ATOM 0 HA ASN A 24 4.333 9.589 8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.621 7.854 7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.243 9.278 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.433 11.636 9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.485 11.374 7.945 1.00 0.00 H new ATOM 311 N ARG A 25 3.630 9.582 6.401 1.00 0.00 N ATOM 312 CA ARG A 25 2.857 9.533 5.166 1.00 0.00 C ATOM 313 C ARG A 25 3.092 8.218 4.429 1.00 0.00 C ATOM 314 O ARG A 25 4.078 8.068 3.708 1.00 0.00 O ATOM 315 CB ARG A 25 3.226 10.711 4.262 1.00 0.00 C ATOM 316 CG ARG A 25 4.693 10.739 3.867 1.00 0.00 C ATOM 317 CD ARG A 25 5.160 12.153 3.561 1.00 0.00 C ATOM 318 NE ARG A 25 5.498 12.893 4.775 1.00 0.00 N ATOM 319 CZ ARG A 25 6.163 14.042 4.774 1.00 0.00 C ATOM 320 NH1 ARG A 25 6.560 14.581 3.629 1.00 0.00 N ATOM 321 NH2 ARG A 25 6.433 14.655 5.919 1.00 0.00 N ATOM 0 H ARG A 25 3.974 10.510 6.647 1.00 0.00 H new ATOM 0 HA ARG A 25 1.800 9.600 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.616 10.670 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.978 11.642 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.296 10.322 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.848 10.106 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.031 12.113 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.377 12.684 3.019 1.00 0.00 H new ATOM 0 HE ARG A 25 5.207 12.505 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.355 14.113 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.071 15.464 3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.130 14.244 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.944 15.538 5.917 1.00 0.00 H new ATOM 335 N GLU A 26 2.179 7.270 4.615 1.00 0.00 N ATOM 336 CA GLU A 26 2.289 5.967 3.968 1.00 0.00 C ATOM 337 C GLU A 26 1.031 5.652 3.164 1.00 0.00 C ATOM 338 O GLU A 26 -0.023 6.252 3.377 1.00 0.00 O ATOM 339 CB GLU A 26 2.528 4.874 5.011 1.00 0.00 C ATOM 340 CG GLU A 26 3.325 3.692 4.483 1.00 0.00 C ATOM 341 CD GLU A 26 4.596 4.117 3.774 1.00 0.00 C ATOM 342 OE1 GLU A 26 5.584 4.438 4.466 1.00 0.00 O ATOM 343 OE2 GLU A 26 4.602 4.127 2.525 1.00 0.00 O ATOM 0 H GLU A 26 1.356 7.379 5.207 1.00 0.00 H new ATOM 0 HA GLU A 26 3.138 5.999 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.054 5.305 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.566 4.517 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.579 3.031 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.704 3.118 3.795 1.00 0.00 H new ATOM 350 N LEU A 27 1.150 4.707 2.238 1.00 0.00 N ATOM 351 CA LEU A 27 0.024 4.311 1.400 1.00 0.00 C ATOM 352 C LEU A 27 -1.203 3.995 2.250 1.00 0.00 C ATOM 353 O LEU A 27 -1.269 2.950 2.898 1.00 0.00 O ATOM 354 CB LEU A 27 0.397 3.094 0.551 1.00 0.00 C ATOM 355 CG LEU A 27 -0.516 2.800 -0.639 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.409 3.905 -1.680 1.00 0.00 C ATOM 357 CD2 LEU A 27 -0.174 1.451 -1.254 1.00 0.00 C ATOM 0 H LEU A 27 2.015 4.201 2.049 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.218 5.145 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.412 3.233 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.412 2.216 1.197 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.545 2.763 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.066 3.679 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.704 4.855 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.620 3.974 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.834 1.259 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.861 1.459 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.303 0.667 -0.507 1.00 0.00 H new ATOM 369 N ALA A 28 -2.172 4.903 2.241 1.00 0.00 N ATOM 370 CA ALA A 28 -3.399 4.720 3.007 1.00 0.00 C ATOM 371 C ALA A 28 -4.607 4.585 2.087 1.00 0.00 C ATOM 372 O ALA A 28 -4.682 5.238 1.046 1.00 0.00 O ATOM 373 CB ALA A 28 -3.595 5.878 3.974 1.00 0.00 C ATOM 0 H ALA A 28 -2.132 5.774 1.711 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.307 3.796 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.515 5.728 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.750 5.925 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.660 6.812 3.415 1.00 0.00 H new ATOM 379 N PHE A 29 -5.550 3.734 2.476 1.00 0.00 N ATOM 380 CA PHE A 29 -6.754 3.512 1.684 1.00 0.00 C ATOM 381 C PHE A 29 -7.924 3.108 2.576 1.00 0.00 C ATOM 382 O PHE A 29 -7.751 2.843 3.766 1.00 0.00 O ATOM 383 CB PHE A 29 -6.505 2.432 0.629 1.00 0.00 C ATOM 384 CG PHE A 29 -5.709 1.266 1.142 1.00 0.00 C ATOM 385 CD1 PHE A 29 -4.325 1.314 1.170 1.00 0.00 C ATOM 386 CD2 PHE A 29 -6.345 0.121 1.595 1.00 0.00 C ATOM 387 CE1 PHE A 29 -3.589 0.243 1.641 1.00 0.00 C ATOM 388 CE2 PHE A 29 -5.615 -0.953 2.067 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.235 -0.892 2.090 1.00 0.00 C ATOM 0 H PHE A 29 -5.504 3.186 3.335 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.007 4.447 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.464 2.071 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.980 2.876 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.815 2.199 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.424 0.068 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.510 0.294 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.123 -1.839 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.662 -1.730 2.458 1.00 0.00 H new ATOM 399 N LYS A 30 -9.117 3.063 1.992 1.00 0.00 N ATOM 400 CA LYS A 30 -10.318 2.691 2.731 1.00 0.00 C ATOM 401 C LYS A 30 -11.072 1.574 2.017 1.00 0.00 C ATOM 402 O LYS A 30 -10.955 1.411 0.803 1.00 0.00 O ATOM 403 CB LYS A 30 -11.231 3.907 2.906 1.00 0.00 C ATOM 404 CG LYS A 30 -10.593 5.039 3.692 1.00 0.00 C ATOM 405 CD LYS A 30 -11.573 6.177 3.925 1.00 0.00 C ATOM 406 CE LYS A 30 -11.002 7.218 4.877 1.00 0.00 C ATOM 407 NZ LYS A 30 -11.290 6.884 6.299 1.00 0.00 N ATOM 0 H LYS A 30 -9.278 3.280 1.008 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.013 2.329 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.521 4.277 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.145 3.595 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.237 4.662 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.722 5.412 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.818 6.648 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.503 5.780 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.924 7.291 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.422 8.196 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.885 7.616 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.319 6.839 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.867 5.963 6.532 1.00 0.00 H new ATOM 421 N ALA A 31 -11.847 0.809 2.778 1.00 0.00 N ATOM 422 CA ALA A 31 -12.622 -0.290 2.217 1.00 0.00 C ATOM 423 C ALA A 31 -13.309 0.127 0.921 1.00 0.00 C ATOM 424 O ALA A 31 -14.260 0.907 0.935 1.00 0.00 O ATOM 425 CB ALA A 31 -13.650 -0.780 3.227 1.00 0.00 C ATOM 0 H ALA A 31 -11.955 0.930 3.785 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.936 -1.105 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.222 -1.601 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.140 -1.127 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.325 0.036 3.484 1.00 0.00 H new ATOM 431 N GLY A 32 -12.818 -0.396 -0.198 1.00 0.00 N ATOM 432 CA GLY A 32 -13.396 -0.065 -1.488 1.00 0.00 C ATOM 433 C GLY A 32 -12.352 0.376 -2.495 1.00 0.00 C ATOM 434 O GLY A 32 -12.492 0.127 -3.692 1.00 0.00 O ATOM 0 H GLY A 32 -12.030 -1.043 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.928 -0.933 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.131 0.729 -1.360 1.00 0.00 H new ATOM 438 N ASP A 33 -11.305 1.033 -2.009 1.00 0.00 N ATOM 439 CA ASP A 33 -10.233 1.510 -2.876 1.00 0.00 C ATOM 440 C ASP A 33 -9.488 0.341 -3.513 1.00 0.00 C ATOM 441 O ASP A 33 -9.286 -0.697 -2.883 1.00 0.00 O ATOM 442 CB ASP A 33 -9.258 2.382 -2.083 1.00 0.00 C ATOM 443 CG ASP A 33 -9.760 3.802 -1.909 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.623 4.227 -2.706 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.291 4.488 -0.977 1.00 0.00 O ATOM 0 H ASP A 33 -11.175 1.248 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.680 2.108 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.091 1.936 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.295 2.400 -2.593 1.00 0.00 H new ATOM 450 N VAL A 34 -9.083 0.517 -4.767 1.00 0.00 N ATOM 451 CA VAL A 34 -8.360 -0.522 -5.489 1.00 0.00 C ATOM 452 C VAL A 34 -6.877 -0.185 -5.600 1.00 0.00 C ATOM 453 O VAL A 34 -6.510 0.930 -5.971 1.00 0.00 O ATOM 454 CB VAL A 34 -8.936 -0.727 -6.903 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.167 -1.812 -7.641 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.417 -1.067 -6.831 1.00 0.00 C ATOM 0 H VAL A 34 -9.244 1.370 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.478 -1.444 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.827 0.204 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.588 -1.943 -8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.119 -1.523 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.241 -2.750 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.807 -1.208 -7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.552 -1.984 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.954 -0.253 -6.345 1.00 0.00 H new ATOM 466 N ILE A 35 -6.030 -1.156 -5.277 1.00 0.00 N ATOM 467 CA ILE A 35 -4.587 -0.963 -5.341 1.00 0.00 C ATOM 468 C ILE A 35 -3.956 -1.875 -6.388 1.00 0.00 C ATOM 469 O ILE A 35 -4.423 -2.991 -6.617 1.00 0.00 O ATOM 470 CB ILE A 35 -3.921 -1.228 -3.978 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.589 -0.386 -2.888 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.431 -0.928 -4.049 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.555 -1.032 -1.521 1.00 0.00 C ATOM 0 H ILE A 35 -6.318 -2.084 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.421 0.077 -5.621 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.047 -2.281 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.095 0.584 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.626 -0.200 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.974 -1.120 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.967 -1.566 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.283 0.118 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.046 -0.380 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.075 -1.989 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.520 -1.193 -1.220 1.00 0.00 H new ATOM 485 N LYS A 36 -2.892 -1.393 -7.021 1.00 0.00 N ATOM 486 CA LYS A 36 -2.193 -2.166 -8.041 1.00 0.00 C ATOM 487 C LYS A 36 -0.843 -2.654 -7.526 1.00 0.00 C ATOM 488 O LYS A 36 0.100 -1.875 -7.391 1.00 0.00 O ATOM 489 CB LYS A 36 -1.994 -1.321 -9.302 1.00 0.00 C ATOM 490 CG LYS A 36 -1.913 -2.141 -10.578 1.00 0.00 C ATOM 491 CD LYS A 36 -1.853 -1.253 -11.809 1.00 0.00 C ATOM 492 CE LYS A 36 -1.106 -1.929 -12.948 1.00 0.00 C ATOM 493 NZ LYS A 36 0.370 -1.792 -12.802 1.00 0.00 N ATOM 0 H LYS A 36 -2.495 -0.470 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.804 -3.035 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.817 -0.612 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.080 -0.737 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.030 -2.780 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.780 -2.799 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.865 -1.007 -12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.362 -0.313 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.371 -2.986 -12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.419 -1.493 -13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.818 -1.849 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.592 -0.874 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.732 -2.558 -12.198 1.00 0.00 H new ATOM 507 N VAL A 37 -0.758 -3.949 -7.240 1.00 0.00 N ATOM 508 CA VAL A 37 0.478 -4.542 -6.742 1.00 0.00 C ATOM 509 C VAL A 37 1.556 -4.552 -7.819 1.00 0.00 C ATOM 510 O VAL A 37 1.404 -5.195 -8.859 1.00 0.00 O ATOM 511 CB VAL A 37 0.249 -5.982 -6.246 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.532 -6.557 -5.665 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.874 -6.021 -5.221 1.00 0.00 C ATOM 0 H VAL A 37 -1.530 -4.608 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 37 0.810 -3.926 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.045 -6.598 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.351 -7.575 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.307 -6.566 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.859 -5.942 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.022 -7.046 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.612 -5.392 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.794 -5.653 -5.675 1.00 0.00 H new ATOM 523 N LEU A 38 2.646 -3.837 -7.564 1.00 0.00 N ATOM 524 CA LEU A 38 3.752 -3.764 -8.513 1.00 0.00 C ATOM 525 C LEU A 38 4.781 -4.855 -8.234 1.00 0.00 C ATOM 526 O LEU A 38 5.175 -5.595 -9.136 1.00 0.00 O ATOM 527 CB LEU A 38 4.418 -2.389 -8.444 1.00 0.00 C ATOM 528 CG LEU A 38 3.498 -1.186 -8.652 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.294 0.109 -8.612 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.746 -1.311 -9.970 1.00 0.00 C ATOM 0 H LEU A 38 2.788 -3.300 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 38 3.350 -3.917 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.899 -2.289 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.207 -2.352 -9.195 1.00 0.00 H new ATOM 0 HG LEU A 38 2.770 -1.166 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.622 0.954 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.786 0.204 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.046 0.099 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.096 -0.446 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.459 -1.357 -10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.144 -2.219 -9.960 1.00 0.00 H new ATOM 542 N ASP A 39 5.212 -4.949 -6.981 1.00 0.00 N ATOM 543 CA ASP A 39 6.193 -5.952 -6.583 1.00 0.00 C ATOM 544 C ASP A 39 5.691 -6.758 -5.389 1.00 0.00 C ATOM 545 O ASP A 39 5.700 -6.279 -4.256 1.00 0.00 O ATOM 546 CB ASP A 39 7.525 -5.284 -6.239 1.00 0.00 C ATOM 547 CG ASP A 39 8.690 -6.253 -6.296 1.00 0.00 C ATOM 548 OD1 ASP A 39 9.158 -6.553 -7.414 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.134 -6.710 -5.222 1.00 0.00 O ATOM 0 H ASP A 39 4.898 -4.343 -6.223 1.00 0.00 H new ATOM 0 HA ASP A 39 6.342 -6.632 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.706 -4.462 -6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.464 -4.852 -5.240 1.00 0.00 H new ATOM 554 N ALA A 40 5.253 -7.985 -5.653 1.00 0.00 N ATOM 555 CA ALA A 40 4.749 -8.859 -4.601 1.00 0.00 C ATOM 556 C ALA A 40 5.886 -9.617 -3.924 1.00 0.00 C ATOM 557 O ALA A 40 5.802 -10.828 -3.719 1.00 0.00 O ATOM 558 CB ALA A 40 3.727 -9.833 -5.168 1.00 0.00 C ATOM 0 H ALA A 40 5.237 -8.396 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 40 4.264 -8.237 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.359 -10.479 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.894 -9.277 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.195 -10.442 -5.942 1.00 0.00 H new ATOM 564 N SER A 41 6.949 -8.897 -3.580 1.00 0.00 N ATOM 565 CA SER A 41 8.105 -9.503 -2.931 1.00 0.00 C ATOM 566 C SER A 41 7.675 -10.630 -1.997 1.00 0.00 C ATOM 567 O SER A 41 8.043 -11.788 -2.194 1.00 0.00 O ATOM 568 CB SER A 41 8.888 -8.447 -2.147 1.00 0.00 C ATOM 569 OG SER A 41 10.071 -8.997 -1.592 1.00 0.00 O ATOM 0 H SER A 41 7.033 -7.893 -3.740 1.00 0.00 H new ATOM 0 HA SER A 41 8.748 -9.921 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.143 -7.616 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.263 -8.043 -1.351 1.00 0.00 H new ATOM 0 HG SER A 41 10.554 -8.302 -1.098 1.00 0.00 H new ATOM 575 N ASN A 42 6.893 -10.282 -0.981 1.00 0.00 N ATOM 576 CA ASN A 42 6.413 -11.264 -0.015 1.00 0.00 C ATOM 577 C ASN A 42 5.113 -10.798 0.633 1.00 0.00 C ATOM 578 O ASN A 42 4.787 -9.611 0.614 1.00 0.00 O ATOM 579 CB ASN A 42 7.472 -11.513 1.061 1.00 0.00 C ATOM 580 CG ASN A 42 8.420 -12.637 0.689 1.00 0.00 C ATOM 581 OD1 ASN A 42 9.551 -12.395 0.265 1.00 0.00 O ATOM 582 ND2 ASN A 42 7.963 -13.873 0.847 1.00 0.00 N ATOM 0 H ASN A 42 6.578 -9.328 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 42 6.220 -12.196 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.043 -10.599 1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.979 -11.753 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.556 -14.670 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.019 -14.026 1.202 1.00 0.00 H new ATOM 589 N LYS A 43 4.373 -11.741 1.208 1.00 0.00 N ATOM 590 CA LYS A 43 3.110 -11.429 1.864 1.00 0.00 C ATOM 591 C LYS A 43 3.330 -10.505 3.058 1.00 0.00 C ATOM 592 O LYS A 43 2.375 -10.012 3.659 1.00 0.00 O ATOM 593 CB LYS A 43 2.418 -12.715 2.323 1.00 0.00 C ATOM 594 CG LYS A 43 1.637 -13.411 1.221 1.00 0.00 C ATOM 595 CD LYS A 43 0.998 -14.697 1.718 1.00 0.00 C ATOM 596 CE LYS A 43 1.997 -15.844 1.736 1.00 0.00 C ATOM 597 NZ LYS A 43 1.468 -17.029 2.466 1.00 0.00 N ATOM 0 H LYS A 43 4.628 -12.728 1.232 1.00 0.00 H new ATOM 0 HA LYS A 43 2.472 -10.917 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.168 -13.402 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.741 -12.480 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.864 -12.742 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.302 -13.633 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.601 -14.543 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.155 -14.957 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.243 -16.128 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.923 -15.512 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.178 -17.789 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.257 -16.765 3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.598 -17.362 2.003 1.00 0.00 H new ATOM 611 N ASP A 44 4.594 -10.273 3.395 1.00 0.00 N ATOM 612 CA ASP A 44 4.940 -9.406 4.516 1.00 0.00 C ATOM 613 C ASP A 44 4.911 -7.940 4.097 1.00 0.00 C ATOM 614 O ASP A 44 4.327 -7.100 4.782 1.00 0.00 O ATOM 615 CB ASP A 44 6.324 -9.767 5.059 1.00 0.00 C ATOM 616 CG ASP A 44 6.400 -11.202 5.542 1.00 0.00 C ATOM 617 OD1 ASP A 44 5.966 -11.467 6.683 1.00 0.00 O ATOM 618 OD2 ASP A 44 6.892 -12.059 4.780 1.00 0.00 O ATOM 0 H ASP A 44 5.396 -10.673 2.908 1.00 0.00 H new ATOM 0 HA ASP A 44 4.200 -9.556 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.069 -9.609 4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.575 -9.096 5.881 1.00 0.00 H new ATOM 623 N TRP A 45 5.544 -7.639 2.969 1.00 0.00 N ATOM 624 CA TRP A 45 5.591 -6.273 2.460 1.00 0.00 C ATOM 625 C TRP A 45 5.277 -6.237 0.968 1.00 0.00 C ATOM 626 O TRP A 45 6.053 -6.728 0.149 1.00 0.00 O ATOM 627 CB TRP A 45 6.967 -5.658 2.718 1.00 0.00 C ATOM 628 CG TRP A 45 7.083 -5.005 4.062 1.00 0.00 C ATOM 629 CD1 TRP A 45 8.013 -5.272 5.026 1.00 0.00 C ATOM 630 CD2 TRP A 45 6.238 -3.977 4.591 1.00 0.00 C ATOM 631 NE1 TRP A 45 7.797 -4.472 6.122 1.00 0.00 N ATOM 632 CE2 TRP A 45 6.714 -3.669 5.881 1.00 0.00 C ATOM 633 CE3 TRP A 45 5.126 -3.287 4.101 1.00 0.00 C ATOM 634 CZ2 TRP A 45 6.116 -2.701 6.683 1.00 0.00 C ATOM 635 CZ3 TRP A 45 4.533 -2.327 4.899 1.00 0.00 C ATOM 636 CH2 TRP A 45 5.029 -2.041 6.178 1.00 0.00 C ATOM 0 H TRP A 45 6.032 -8.322 2.389 1.00 0.00 H new ATOM 0 HA TRP A 45 4.835 -5.690 2.986 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.726 -6.435 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.178 -4.920 1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 45 8.802 -6.004 4.939 1.00 0.00 H new ATOM 0 HE1 TRP A 45 8.353 -4.476 6.977 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.737 -3.500 3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.497 -2.479 7.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.673 -1.788 4.531 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.544 -1.285 6.777 1.00 0.00 H new ATOM 647 N TRP A 46 4.135 -5.654 0.623 1.00 0.00 N ATOM 648 CA TRP A 46 3.719 -5.554 -0.772 1.00 0.00 C ATOM 649 C TRP A 46 3.506 -4.099 -1.174 1.00 0.00 C ATOM 650 O TRP A 46 2.841 -3.341 -0.467 1.00 0.00 O ATOM 651 CB TRP A 46 2.434 -6.352 -1.000 1.00 0.00 C ATOM 652 CG TRP A 46 2.682 -7.778 -1.391 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.889 -8.413 -1.452 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.698 -8.744 -1.776 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.715 -9.716 -1.853 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.380 -9.944 -2.056 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.307 -8.713 -1.909 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.717 -11.099 -2.462 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.349 -9.860 -2.312 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.356 -11.040 -2.584 1.00 0.00 C ATOM 0 H TRP A 46 3.481 -5.243 1.289 1.00 0.00 H new ATOM 0 HA TRP A 46 4.513 -5.970 -1.393 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.835 -6.331 -0.089 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.846 -5.866 -1.779 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.841 -7.958 -1.219 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.459 -10.402 -1.979 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.245 -7.809 -1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.258 -12.009 -2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.424 -9.847 -2.419 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.186 -11.920 -2.896 1.00 0.00 H new ATOM 671 N TRP A 47 4.074 -3.715 -2.311 1.00 0.00 N ATOM 672 CA TRP A 47 3.946 -2.349 -2.806 1.00 0.00 C ATOM 673 C TRP A 47 2.639 -2.167 -3.569 1.00 0.00 C ATOM 674 O TRP A 47 2.282 -2.988 -4.413 1.00 0.00 O ATOM 675 CB TRP A 47 5.130 -1.999 -3.709 1.00 0.00 C ATOM 676 CG TRP A 47 5.111 -0.580 -4.190 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.559 -0.114 -5.349 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.671 0.558 -3.525 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.741 1.244 -5.445 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.420 1.681 -4.338 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.357 0.738 -2.321 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.833 2.963 -3.984 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.766 2.011 -1.972 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.503 3.110 -2.800 1.00 0.00 C ATOM 0 H TRP A 47 4.628 -4.330 -2.908 1.00 0.00 H new ATOM 0 HA TRP A 47 3.941 -1.677 -1.948 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.058 -2.178 -3.166 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.131 -2.667 -4.570 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.053 -0.724 -6.083 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.422 1.832 -6.215 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.564 -0.102 -1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.632 3.811 -4.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.298 2.161 -1.044 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.835 4.092 -2.498 1.00 0.00 H new ATOM 695 N GLY A 48 1.927 -1.086 -3.267 1.00 0.00 N ATOM 696 CA GLY A 48 0.667 -0.816 -3.933 1.00 0.00 C ATOM 697 C GLY A 48 0.693 0.478 -4.721 1.00 0.00 C ATOM 698 O GLY A 48 1.372 1.430 -4.339 1.00 0.00 O ATOM 0 H GLY A 48 2.201 -0.392 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.430 -1.642 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.130 -0.770 -3.191 1.00 0.00 H new ATOM 702 N GLN A 49 -0.048 0.513 -5.824 1.00 0.00 N ATOM 703 CA GLN A 49 -0.105 1.700 -6.669 1.00 0.00 C ATOM 704 C GLN A 49 -1.536 2.212 -6.793 1.00 0.00 C ATOM 705 O GLN A 49 -2.399 1.539 -7.357 1.00 0.00 O ATOM 706 CB GLN A 49 0.462 1.393 -8.056 1.00 0.00 C ATOM 707 CG GLN A 49 1.090 2.598 -8.738 1.00 0.00 C ATOM 708 CD GLN A 49 1.676 2.261 -10.095 1.00 0.00 C ATOM 709 OE1 GLN A 49 1.059 1.554 -10.892 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.874 2.766 -10.364 1.00 0.00 N ATOM 0 H GLN A 49 -0.617 -0.267 -6.153 1.00 0.00 H new ATOM 0 HA GLN A 49 0.500 2.477 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.210 0.606 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.337 1.004 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.337 3.378 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.874 3.005 -8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.349 3.347 -9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.319 2.573 -11.261 1.00 0.00 H new ATOM 719 N ILE A 50 -1.780 3.406 -6.263 1.00 0.00 N ATOM 720 CA ILE A 50 -3.107 4.007 -6.316 1.00 0.00 C ATOM 721 C ILE A 50 -3.128 5.212 -7.251 1.00 0.00 C ATOM 722 O ILE A 50 -2.100 5.850 -7.481 1.00 0.00 O ATOM 723 CB ILE A 50 -3.581 4.448 -4.918 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.427 3.301 -3.918 1.00 0.00 C ATOM 725 CG2 ILE A 50 -5.027 4.920 -4.974 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.976 3.618 -2.545 1.00 0.00 C ATOM 0 H ILE A 50 -1.077 3.976 -5.792 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.785 3.243 -6.697 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.960 5.280 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.935 2.419 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.371 3.047 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.348 5.228 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.108 5.764 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.662 4.106 -5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.833 2.760 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.452 4.481 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.040 3.842 -2.621 1.00 0.00 H new ATOM 738 N ASP A 51 -4.304 5.518 -7.786 1.00 0.00 N ATOM 739 CA ASP A 51 -4.460 6.648 -8.694 1.00 0.00 C ATOM 740 C ASP A 51 -3.503 7.777 -8.326 1.00 0.00 C ATOM 741 O ASP A 51 -2.694 8.211 -9.147 1.00 0.00 O ATOM 742 CB ASP A 51 -5.903 7.157 -8.667 1.00 0.00 C ATOM 743 CG ASP A 51 -6.880 6.157 -9.254 1.00 0.00 C ATOM 744 OD1 ASP A 51 -7.349 5.276 -8.505 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.175 6.257 -10.464 1.00 0.00 O ATOM 0 H ASP A 51 -5.164 4.999 -7.607 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.222 6.308 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.188 7.378 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.966 8.092 -9.224 1.00 0.00 H new ATOM 750 N ASP A 52 -3.601 8.249 -7.088 1.00 0.00 N ATOM 751 CA ASP A 52 -2.744 9.328 -6.611 1.00 0.00 C ATOM 752 C ASP A 52 -1.800 8.830 -5.521 1.00 0.00 C ATOM 753 O ASP A 52 -0.625 9.195 -5.491 1.00 0.00 O ATOM 754 CB ASP A 52 -3.592 10.485 -6.079 1.00 0.00 C ATOM 755 CG ASP A 52 -2.750 11.673 -5.658 1.00 0.00 C ATOM 756 OD1 ASP A 52 -1.920 12.131 -6.471 1.00 0.00 O ATOM 757 OD2 ASP A 52 -2.922 12.146 -4.515 1.00 0.00 O ATOM 0 H ASP A 52 -4.265 7.901 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.146 9.682 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.298 10.798 -6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.180 10.140 -5.228 1.00 0.00 H new ATOM 762 N GLU A 53 -2.323 7.996 -4.627 1.00 0.00 N ATOM 763 CA GLU A 53 -1.526 7.451 -3.534 1.00 0.00 C ATOM 764 C GLU A 53 -0.551 6.394 -4.047 1.00 0.00 C ATOM 765 O GLU A 53 -0.846 5.675 -5.000 1.00 0.00 O ATOM 766 CB GLU A 53 -2.436 6.845 -2.463 1.00 0.00 C ATOM 767 CG GLU A 53 -2.978 7.866 -1.477 1.00 0.00 C ATOM 768 CD GLU A 53 -1.974 8.227 -0.400 1.00 0.00 C ATOM 769 OE1 GLU A 53 -1.896 7.492 0.608 1.00 0.00 O ATOM 770 OE2 GLU A 53 -1.266 9.242 -0.564 1.00 0.00 O ATOM 0 H GLU A 53 -3.294 7.683 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.952 8.267 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.272 6.343 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.882 6.083 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.267 8.768 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.880 7.471 -1.010 1.00 0.00 H new ATOM 777 N GLU A 54 0.610 6.308 -3.405 1.00 0.00 N ATOM 778 CA GLU A 54 1.628 5.341 -3.797 1.00 0.00 C ATOM 779 C GLU A 54 2.577 5.050 -2.637 1.00 0.00 C ATOM 780 O GLU A 54 3.165 5.962 -2.058 1.00 0.00 O ATOM 781 CB GLU A 54 2.419 5.858 -5.000 1.00 0.00 C ATOM 782 CG GLU A 54 1.552 6.186 -6.204 1.00 0.00 C ATOM 783 CD GLU A 54 2.347 6.775 -7.353 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.063 6.010 -8.033 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.253 8.001 -7.571 1.00 0.00 O ATOM 0 H GLU A 54 0.868 6.896 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 54 1.125 4.415 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.969 6.751 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.157 5.109 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.049 5.280 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.775 6.890 -5.906 1.00 0.00 H new ATOM 792 N GLY A 55 2.719 3.770 -2.304 1.00 0.00 N ATOM 793 CA GLY A 55 3.596 3.381 -1.215 1.00 0.00 C ATOM 794 C GLY A 55 3.489 1.906 -0.884 1.00 0.00 C ATOM 795 O GLY A 55 3.209 1.085 -1.758 1.00 0.00 O ATOM 0 H GLY A 55 2.243 2.997 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.627 3.617 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.353 3.968 -0.329 1.00 0.00 H new ATOM 799 N TRP A 56 3.714 1.567 0.381 1.00 0.00 N ATOM 800 CA TRP A 56 3.643 0.180 0.825 1.00 0.00 C ATOM 801 C TRP A 56 2.308 -0.107 1.503 1.00 0.00 C ATOM 802 O TRP A 56 1.793 0.719 2.257 1.00 0.00 O ATOM 803 CB TRP A 56 4.793 -0.129 1.785 1.00 0.00 C ATOM 804 CG TRP A 56 6.035 -0.601 1.091 1.00 0.00 C ATOM 805 CD1 TRP A 56 6.118 -1.555 0.117 1.00 0.00 C ATOM 806 CD2 TRP A 56 7.372 -0.141 1.319 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.426 -1.716 -0.273 1.00 0.00 N ATOM 808 CE2 TRP A 56 8.214 -0.860 0.449 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.938 0.809 2.173 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.591 -0.657 0.410 1.00 0.00 C ATOM 811 CZ3 TRP A 56 9.305 1.008 2.134 1.00 0.00 C ATOM 812 CH2 TRP A 56 10.119 0.279 1.257 1.00 0.00 C ATOM 0 H TRP A 56 3.947 2.234 1.117 1.00 0.00 H new ATOM 0 HA TRP A 56 3.729 -0.461 -0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.026 0.766 2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.470 -0.891 2.495 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.279 -2.102 -0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.756 -2.368 -0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.319 1.377 2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.220 -1.218 -0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.754 1.738 2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 56 11.184 0.459 1.249 1.00 0.00 H new ATOM 823 N PHE A 57 1.751 -1.283 1.230 1.00 0.00 N ATOM 824 CA PHE A 57 0.475 -1.678 1.813 1.00 0.00 C ATOM 825 C PHE A 57 0.527 -3.119 2.312 1.00 0.00 C ATOM 826 O PHE A 57 1.284 -3.949 1.809 1.00 0.00 O ATOM 827 CB PHE A 57 -0.649 -1.523 0.787 1.00 0.00 C ATOM 828 CG PHE A 57 -0.741 -2.669 -0.180 1.00 0.00 C ATOM 829 CD1 PHE A 57 -1.527 -3.773 0.106 1.00 0.00 C ATOM 830 CD2 PHE A 57 -0.039 -2.642 -1.375 1.00 0.00 C ATOM 831 CE1 PHE A 57 -1.614 -4.829 -0.782 1.00 0.00 C ATOM 832 CE2 PHE A 57 -0.122 -3.694 -2.266 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.909 -4.790 -1.969 1.00 0.00 C ATOM 0 H PHE A 57 2.164 -1.978 0.609 1.00 0.00 H new ATOM 0 HA PHE A 57 0.275 -1.025 2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.599 -1.425 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.496 -0.599 0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.079 -3.809 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.580 -1.789 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.232 -5.683 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.428 -3.660 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.973 -5.615 -2.664 1.00 0.00 H new ATOM 843 N PRO A 58 -0.295 -3.424 3.327 1.00 0.00 N ATOM 844 CA PRO A 58 -0.361 -4.764 3.917 1.00 0.00 C ATOM 845 C PRO A 58 -0.990 -5.783 2.972 1.00 0.00 C ATOM 846 O PRO A 58 -2.051 -5.540 2.399 1.00 0.00 O ATOM 847 CB PRO A 58 -1.243 -4.565 5.152 1.00 0.00 C ATOM 848 CG PRO A 58 -2.081 -3.376 4.831 1.00 0.00 C ATOM 849 CD PRO A 58 -1.224 -2.484 3.976 1.00 0.00 C ATOM 0 HA PRO A 58 0.629 -5.159 4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.859 -5.443 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.641 -4.396 6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.988 -3.669 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.394 -2.862 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.818 -1.937 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.693 -1.743 4.574 1.00 0.00 H new ATOM 857 N ALA A 59 -0.328 -6.925 2.816 1.00 0.00 N ATOM 858 CA ALA A 59 -0.823 -7.981 1.943 1.00 0.00 C ATOM 859 C ALA A 59 -1.816 -8.878 2.675 1.00 0.00 C ATOM 860 O ALA A 59 -2.376 -9.806 2.091 1.00 0.00 O ATOM 861 CB ALA A 59 0.335 -8.805 1.401 1.00 0.00 C ATOM 0 H ALA A 59 0.552 -7.142 3.283 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.343 -7.513 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.050 -9.590 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.006 -8.160 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.880 -9.256 2.230 1.00 0.00 H new ATOM 867 N SER A 60 -2.029 -8.595 3.956 1.00 0.00 N ATOM 868 CA SER A 60 -2.951 -9.379 4.769 1.00 0.00 C ATOM 869 C SER A 60 -4.278 -8.648 4.943 1.00 0.00 C ATOM 870 O SER A 60 -5.278 -9.240 5.350 1.00 0.00 O ATOM 871 CB SER A 60 -2.334 -9.673 6.138 1.00 0.00 C ATOM 872 OG SER A 60 -1.305 -10.643 6.036 1.00 0.00 O ATOM 0 H SER A 60 -1.576 -7.829 4.453 1.00 0.00 H new ATOM 0 HA SER A 60 -3.140 -10.321 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.931 -8.754 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.107 -10.028 6.820 1.00 0.00 H new ATOM 0 HG SER A 60 -0.926 -10.812 6.924 1.00 0.00 H new ATOM 878 N PHE A 61 -4.280 -7.356 4.633 1.00 0.00 N ATOM 879 CA PHE A 61 -5.483 -6.541 4.756 1.00 0.00 C ATOM 880 C PHE A 61 -6.068 -6.224 3.383 1.00 0.00 C ATOM 881 O PHE A 61 -6.562 -5.121 3.145 1.00 0.00 O ATOM 882 CB PHE A 61 -5.171 -5.242 5.502 1.00 0.00 C ATOM 883 CG PHE A 61 -5.337 -5.352 6.991 1.00 0.00 C ATOM 884 CD1 PHE A 61 -4.952 -6.502 7.662 1.00 0.00 C ATOM 885 CD2 PHE A 61 -5.877 -4.305 7.720 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.104 -6.605 9.031 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.031 -4.403 9.091 1.00 0.00 C ATOM 888 CZ PHE A 61 -5.643 -5.554 9.747 1.00 0.00 C ATOM 0 H PHE A 61 -3.461 -6.850 4.294 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.220 -7.109 5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.147 -4.941 5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.823 -4.452 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.528 -7.327 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.181 -3.402 7.212 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.801 -7.507 9.542 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.454 -3.580 9.648 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.761 -5.633 10.818 1.00 0.00 H new ATOM 898 N VAL A 62 -6.007 -7.198 2.481 1.00 0.00 N ATOM 899 CA VAL A 62 -6.530 -7.025 1.131 1.00 0.00 C ATOM 900 C VAL A 62 -6.876 -8.368 0.499 1.00 0.00 C ATOM 901 O VAL A 62 -6.297 -9.397 0.848 1.00 0.00 O ATOM 902 CB VAL A 62 -5.522 -6.289 0.229 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.117 -4.961 0.852 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.303 -7.160 -0.029 1.00 0.00 C ATOM 0 H VAL A 62 -5.600 -8.116 2.661 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.435 -6.424 1.217 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.001 -6.082 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.404 -4.456 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.000 -4.335 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.656 -5.140 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.601 -6.624 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.820 -7.400 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.612 -8.081 -0.522 1.00 0.00 H new ATOM 914 N ARG A 63 -7.821 -8.351 -0.435 1.00 0.00 N ATOM 915 CA ARG A 63 -8.245 -9.568 -1.117 1.00 0.00 C ATOM 916 C ARG A 63 -7.734 -9.592 -2.554 1.00 0.00 C ATOM 917 O ARG A 63 -7.989 -8.670 -3.330 1.00 0.00 O ATOM 918 CB ARG A 63 -9.770 -9.681 -1.105 1.00 0.00 C ATOM 919 CG ARG A 63 -10.318 -10.410 0.112 1.00 0.00 C ATOM 920 CD ARG A 63 -9.984 -11.893 0.069 1.00 0.00 C ATOM 921 NE ARG A 63 -10.417 -12.516 -1.178 1.00 0.00 N ATOM 922 CZ ARG A 63 -11.673 -12.870 -1.425 1.00 0.00 C ATOM 923 NH1 ARG A 63 -12.615 -12.664 -0.515 1.00 0.00 N ATOM 924 NH2 ARG A 63 -11.989 -13.432 -2.585 1.00 0.00 N ATOM 0 H ARG A 63 -8.308 -7.507 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.821 -10.419 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.200 -8.680 -1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.094 -10.201 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.904 -9.969 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.399 -10.280 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.908 -12.026 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.461 -12.396 0.910 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.717 -12.689 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.376 -12.233 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.579 -12.937 -0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.267 -13.592 -3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.954 -13.704 -2.774 1.00 0.00 H new ATOM 938 N LEU A 64 -7.011 -10.651 -2.902 1.00 0.00 N ATOM 939 CA LEU A 64 -6.462 -10.795 -4.246 1.00 0.00 C ATOM 940 C LEU A 64 -7.577 -10.846 -5.286 1.00 0.00 C ATOM 941 O LEU A 64 -8.709 -11.219 -4.979 1.00 0.00 O ATOM 942 CB LEU A 64 -5.608 -12.060 -4.336 1.00 0.00 C ATOM 943 CG LEU A 64 -4.313 -12.055 -3.523 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.785 -13.471 -3.349 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.267 -11.173 -4.190 1.00 0.00 C ATOM 0 H LEU A 64 -6.791 -11.423 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.837 -9.926 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.213 -12.907 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.356 -12.230 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.529 -11.646 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.863 -13.447 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.527 -14.075 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.586 -13.908 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.352 -11.182 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.055 -11.552 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.643 -10.153 -4.261 1.00 0.00 H new ATOM 957 N TRP A 65 -7.248 -10.469 -6.516 1.00 0.00 N ATOM 958 CA TRP A 65 -8.222 -10.474 -7.603 1.00 0.00 C ATOM 959 C TRP A 65 -8.294 -11.846 -8.263 1.00 0.00 C ATOM 960 O TRP A 65 -8.684 -11.967 -9.424 1.00 0.00 O ATOM 961 CB TRP A 65 -7.861 -9.412 -8.643 1.00 0.00 C ATOM 962 CG TRP A 65 -8.480 -8.075 -8.366 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.669 -7.497 -7.143 1.00 0.00 C ATOM 964 CD2 TRP A 65 -8.991 -7.151 -9.332 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.268 -6.269 -7.291 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.474 -6.033 -8.624 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.085 -7.157 -10.726 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.044 -4.936 -9.265 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -9.650 -6.068 -11.361 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.123 -4.969 -10.631 1.00 0.00 C ATOM 0 H TRP A 65 -6.316 -10.156 -6.786 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.201 -10.243 -7.182 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.777 -9.302 -8.679 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.179 -9.755 -9.628 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.389 -7.940 -6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.518 -5.636 -6.531 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.722 -7.999 -11.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.411 -4.089 -8.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.729 -6.063 -12.438 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.558 -4.132 -11.157 1.00 0.00 H new ATOM 981 N VAL A 66 -7.916 -12.879 -7.516 1.00 0.00 N ATOM 982 CA VAL A 66 -7.939 -14.243 -8.029 1.00 0.00 C ATOM 983 C VAL A 66 -8.685 -15.174 -7.080 1.00 0.00 C ATOM 984 O VAL A 66 -8.603 -15.030 -5.861 1.00 0.00 O ATOM 985 CB VAL A 66 -6.514 -14.785 -8.248 1.00 0.00 C ATOM 986 CG1 VAL A 66 -6.560 -16.186 -8.838 1.00 0.00 C ATOM 987 CG2 VAL A 66 -5.720 -13.846 -9.144 1.00 0.00 C ATOM 0 H VAL A 66 -7.590 -12.796 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.459 -14.212 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.012 -14.840 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.544 -16.552 -8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.090 -16.851 -8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.079 -16.160 -9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.716 -14.244 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.218 -13.757 -10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.657 -12.863 -8.676 1.00 0.00 H new ATOM 997 N ASN A 67 -9.412 -16.131 -7.649 1.00 0.00 N ATOM 998 CA ASN A 67 -10.173 -17.087 -6.853 1.00 0.00 C ATOM 999 C ASN A 67 -9.243 -17.963 -6.019 1.00 0.00 C ATOM 1000 O ASN A 67 -8.126 -18.271 -6.435 1.00 0.00 O ATOM 1001 CB ASN A 67 -11.038 -17.963 -7.761 1.00 0.00 C ATOM 1002 CG ASN A 67 -12.125 -18.693 -6.995 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -13.315 -18.464 -7.214 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -11.719 -19.577 -6.091 1.00 0.00 N ATOM 0 H ASN A 67 -9.490 -16.265 -8.657 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.819 -16.527 -6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.495 -17.343 -8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.405 -18.690 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.404 -20.099 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.722 -19.734 -5.943 1.00 0.00 H new ATOM 1011 N GLN A 68 -9.712 -18.361 -4.841 1.00 0.00 N ATOM 1012 CA GLN A 68 -8.922 -19.202 -3.949 1.00 0.00 C ATOM 1013 C GLN A 68 -9.800 -20.244 -3.263 1.00 0.00 C ATOM 1014 O GLN A 68 -11.026 -20.145 -3.283 1.00 0.00 O ATOM 1015 CB GLN A 68 -8.215 -18.343 -2.899 1.00 0.00 C ATOM 1016 CG GLN A 68 -6.892 -17.766 -3.376 1.00 0.00 C ATOM 1017 CD GLN A 68 -6.192 -16.949 -2.307 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -6.803 -16.094 -1.664 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -4.905 -17.208 -2.111 1.00 0.00 N ATOM 0 H GLN A 68 -10.634 -18.115 -4.482 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.174 -19.722 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.874 -17.526 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.039 -18.945 -2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.239 -18.579 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.068 -17.139 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.439 -17.925 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.382 -16.690 -1.405 1.00 0.00 H new ATOM 1028 N GLU A 69 -9.163 -21.242 -2.659 1.00 0.00 N ATOM 1029 CA GLU A 69 -9.887 -22.303 -1.969 1.00 0.00 C ATOM 1030 C GLU A 69 -10.482 -21.793 -0.660 1.00 0.00 C ATOM 1031 O GLU A 69 -9.768 -21.273 0.198 1.00 0.00 O ATOM 1032 CB GLU A 69 -8.960 -23.488 -1.693 1.00 0.00 C ATOM 1033 CG GLU A 69 -9.689 -24.816 -1.570 1.00 0.00 C ATOM 1034 CD GLU A 69 -8.857 -25.876 -0.875 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -8.063 -25.516 0.019 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -9.000 -27.066 -1.225 1.00 0.00 O ATOM 0 H GLU A 69 -8.148 -21.338 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.701 -22.631 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.226 -23.559 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.408 -23.300 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.617 -24.667 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.964 -25.169 -2.564 1.00 0.00 H new ATOM 1043 N ASP A 70 -11.794 -21.944 -0.515 1.00 0.00 N ATOM 1044 CA ASP A 70 -12.486 -21.499 0.690 1.00 0.00 C ATOM 1045 C ASP A 70 -12.564 -22.623 1.718 1.00 0.00 C ATOM 1046 O ASP A 70 -12.931 -23.752 1.391 1.00 0.00 O ATOM 1047 CB ASP A 70 -13.893 -21.010 0.344 1.00 0.00 C ATOM 1048 CG ASP A 70 -14.816 -22.141 -0.064 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -14.407 -22.966 -0.909 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -15.947 -22.204 0.462 1.00 0.00 O ATOM 0 H ASP A 70 -12.400 -22.371 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.919 -20.674 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.316 -20.492 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.833 -20.284 -0.467 1.00 0.00 H new ATOM 1055 N GLU A 71 -12.215 -22.307 2.961 1.00 0.00 N ATOM 1056 CA GLU A 71 -12.244 -23.291 4.036 1.00 0.00 C ATOM 1057 C GLU A 71 -13.668 -23.503 4.542 1.00 0.00 C ATOM 1058 O GLU A 71 -14.614 -22.894 4.041 1.00 0.00 O ATOM 1059 CB GLU A 71 -11.342 -22.846 5.190 1.00 0.00 C ATOM 1060 CG GLU A 71 -9.905 -23.319 5.056 1.00 0.00 C ATOM 1061 CD GLU A 71 -8.928 -22.433 5.805 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -9.023 -22.362 7.048 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -8.067 -21.812 5.148 1.00 0.00 O ATOM 0 H GLU A 71 -11.909 -21.377 3.248 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.874 -24.236 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.353 -21.758 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.753 -23.221 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.826 -24.339 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.632 -23.345 4.001 1.00 0.00 H new ATOM 1070 N VAL A 72 -13.813 -24.373 5.537 1.00 0.00 N ATOM 1071 CA VAL A 72 -15.121 -24.666 6.112 1.00 0.00 C ATOM 1072 C VAL A 72 -15.629 -23.495 6.946 1.00 0.00 C ATOM 1073 O VAL A 72 -14.887 -22.916 7.738 1.00 0.00 O ATOM 1074 CB VAL A 72 -15.076 -25.929 6.992 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -16.436 -26.187 7.624 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -14.621 -27.130 6.178 1.00 0.00 C ATOM 0 H VAL A 72 -13.041 -24.887 5.961 1.00 0.00 H new ATOM 0 HA VAL A 72 -15.803 -24.837 5.279 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.354 -25.768 7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -16.386 -27.083 8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -16.717 -25.335 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -17.180 -26.328 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.595 -28.013 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.317 -27.297 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -13.625 -26.942 5.778 1.00 0.00 H new ATOM 1086 N GLU A 73 -16.901 -23.153 6.762 1.00 0.00 N ATOM 1087 CA GLU A 73 -17.508 -22.051 7.498 1.00 0.00 C ATOM 1088 C GLU A 73 -18.698 -22.536 8.321 1.00 0.00 C ATOM 1089 O GLU A 73 -19.107 -23.692 8.216 1.00 0.00 O ATOM 1090 CB GLU A 73 -17.956 -20.950 6.534 1.00 0.00 C ATOM 1091 CG GLU A 73 -19.312 -21.210 5.901 1.00 0.00 C ATOM 1092 CD GLU A 73 -19.311 -22.427 4.997 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -19.534 -23.545 5.508 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -19.087 -22.263 3.780 1.00 0.00 O ATOM 0 H GLU A 73 -17.530 -23.623 6.110 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.759 -21.646 8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -17.991 -20.001 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.211 -20.844 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -20.055 -21.346 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -19.614 -20.335 5.325 1.00 0.00 H new ATOM 1101 N GLU A 74 -19.248 -21.645 9.139 1.00 0.00 N ATOM 1102 CA GLU A 74 -20.390 -21.983 9.980 1.00 0.00 C ATOM 1103 C GLU A 74 -21.339 -20.795 10.113 1.00 0.00 C ATOM 1104 O GLU A 74 -21.068 -19.710 9.602 1.00 0.00 O ATOM 1105 CB GLU A 74 -19.917 -22.429 11.365 1.00 0.00 C ATOM 1106 CG GLU A 74 -19.145 -21.359 12.118 1.00 0.00 C ATOM 1107 CD GLU A 74 -20.010 -20.174 12.500 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -21.012 -20.379 13.217 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -19.686 -19.043 12.082 1.00 0.00 O ATOM 0 H GLU A 74 -18.921 -20.684 9.237 1.00 0.00 H new ATOM 0 HA GLU A 74 -20.928 -22.804 9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.783 -22.725 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.287 -23.312 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.714 -21.794 13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.315 -21.014 11.502 1.00 0.00 H new ATOM 1116 N GLY A 75 -22.455 -21.011 10.804 1.00 0.00 N ATOM 1117 CA GLY A 75 -23.427 -19.950 10.991 1.00 0.00 C ATOM 1118 C GLY A 75 -24.671 -20.426 11.715 1.00 0.00 C ATOM 1119 O GLY A 75 -24.961 -21.622 11.745 1.00 0.00 O ATOM 0 H GLY A 75 -22.703 -21.901 11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -22.970 -19.138 11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -23.709 -19.544 10.020 1.00 0.00 H new ATOM 1123 N SER A 76 -25.408 -19.488 12.301 1.00 0.00 N ATOM 1124 CA SER A 76 -26.625 -19.818 13.033 1.00 0.00 C ATOM 1125 C SER A 76 -27.459 -18.568 13.294 1.00 0.00 C ATOM 1126 O SER A 76 -27.052 -17.456 12.961 1.00 0.00 O ATOM 1127 CB SER A 76 -26.279 -20.499 14.359 1.00 0.00 C ATOM 1128 OG SER A 76 -26.027 -21.881 14.172 1.00 0.00 O ATOM 0 H SER A 76 -25.183 -18.493 12.283 1.00 0.00 H new ATOM 0 HA SER A 76 -27.212 -20.504 12.422 1.00 0.00 H new ATOM 0 HB2 SER A 76 -25.403 -20.023 14.798 1.00 0.00 H new ATOM 0 HB3 SER A 76 -27.100 -20.368 15.064 1.00 0.00 H new ATOM 0 HG SER A 76 -25.797 -22.048 13.234 1.00 0.00 H new ATOM 1134 N GLY A 77 -28.632 -18.759 13.891 1.00 0.00 N ATOM 1135 CA GLY A 77 -29.506 -17.639 14.187 1.00 0.00 C ATOM 1136 C GLY A 77 -30.670 -18.030 15.075 1.00 0.00 C ATOM 1137 O GLY A 77 -31.773 -18.306 14.603 1.00 0.00 O ATOM 0 H GLY A 77 -28.992 -19.670 14.175 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -28.930 -16.852 14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -29.888 -17.224 13.254 1.00 0.00 H new ATOM 1141 N PRO A 78 -30.430 -18.059 16.394 1.00 0.00 N ATOM 1142 CA PRO A 78 -31.455 -18.420 17.378 1.00 0.00 C ATOM 1143 C PRO A 78 -32.541 -17.356 17.500 1.00 0.00 C ATOM 1144 O PRO A 78 -32.557 -16.383 16.746 1.00 0.00 O ATOM 1145 CB PRO A 78 -30.667 -18.533 18.685 1.00 0.00 C ATOM 1146 CG PRO A 78 -29.479 -17.657 18.489 1.00 0.00 C ATOM 1147 CD PRO A 78 -29.138 -17.742 17.027 1.00 0.00 C ATOM 0 HA PRO A 78 -31.982 -19.333 17.102 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -31.264 -18.206 19.536 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -30.371 -19.564 18.881 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -29.700 -16.630 18.779 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.643 -17.990 19.105 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -28.728 -16.803 16.655 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.394 -18.515 16.832 1.00 0.00 H new ATOM 1155 N SER A 79 -33.446 -17.548 18.454 1.00 0.00 N ATOM 1156 CA SER A 79 -34.538 -16.607 18.672 1.00 0.00 C ATOM 1157 C SER A 79 -34.964 -16.600 20.137 1.00 0.00 C ATOM 1158 O SER A 79 -34.594 -17.486 20.907 1.00 0.00 O ATOM 1159 CB SER A 79 -35.731 -16.962 17.784 1.00 0.00 C ATOM 1160 OG SER A 79 -36.707 -15.934 17.806 1.00 0.00 O ATOM 0 H SER A 79 -33.445 -18.347 19.088 1.00 0.00 H new ATOM 0 HA SER A 79 -34.184 -15.610 18.410 1.00 0.00 H new ATOM 0 HB2 SER A 79 -35.391 -17.124 16.761 1.00 0.00 H new ATOM 0 HB3 SER A 79 -36.176 -17.897 18.124 1.00 0.00 H new ATOM 0 HG SER A 79 -37.459 -16.184 17.229 1.00 0.00 H new ATOM 1166 N SER A 80 -35.745 -15.593 20.515 1.00 0.00 N ATOM 1167 CA SER A 80 -36.220 -15.467 21.888 1.00 0.00 C ATOM 1168 C SER A 80 -37.433 -14.544 21.961 1.00 0.00 C ATOM 1169 O SER A 80 -37.856 -13.976 20.955 1.00 0.00 O ATOM 1170 CB SER A 80 -35.104 -14.933 22.788 1.00 0.00 C ATOM 1171 OG SER A 80 -34.793 -13.587 22.472 1.00 0.00 O ATOM 0 H SER A 80 -36.062 -14.852 19.890 1.00 0.00 H new ATOM 0 HA SER A 80 -36.517 -16.456 22.236 1.00 0.00 H new ATOM 0 HB2 SER A 80 -35.410 -15.003 23.832 1.00 0.00 H new ATOM 0 HB3 SER A 80 -34.214 -15.551 22.674 1.00 0.00 H new ATOM 0 HG SER A 80 -34.078 -13.269 23.062 1.00 0.00 H new ATOM 1177 N GLY A 81 -37.989 -14.401 23.160 1.00 0.00 N ATOM 1178 CA GLY A 81 -39.148 -13.547 23.344 1.00 0.00 C ATOM 1179 C GLY A 81 -40.158 -14.140 24.307 1.00 0.00 C ATOM 1180 O GLY A 81 -40.123 -13.857 25.504 1.00 0.00 O ATOM 0 H GLY A 81 -37.657 -14.861 24.008 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -38.824 -12.575 23.715 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -39.627 -13.376 22.380 1.00 0.00 H new TER 1184 GLY A 81