USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 174:sc= -0.375 (180deg=-0.426) USER MOD Set 2.1: A 4 GLN : amide:sc= -3.26! C(o=-6!,f=-7.7!) USER MOD Set 2.2: A 9 SER OG : rot 116:sc= -2.87! USER MOD Set 2.3: A 92 THR OG1 : rot 170:sc= 0.158 USER MOD Single : A 1 VAL N :NH3+ -154:sc= -0.104 (180deg=-1.11) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 11 SER OG : rot 180:sc=-0.00535 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 16 LYS NZ :NH3+ -114:sc= -0.561 (180deg=-1.31) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.81! C(o=-3.8!,f=-9.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -3.43! C(o=-4.9!,f=-3.4!) USER MOD Single : A 52 ASN : amide:sc= -3.5! C(o=-3.5!,f=-5!) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc=-0.00126 K(o=-0.0013,f=-1.6!) USER MOD Single : A 82 THR OG1 : rot -170:sc=0.000129 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.113 -12.041 -0.058 1.00 0.00 N ATOM 2 CA VAL A 1 -0.410 -11.065 0.824 1.00 0.00 C ATOM 3 C VAL A 1 -1.342 -10.606 1.950 1.00 0.00 C ATOM 4 O VAL A 1 -1.871 -9.514 1.923 1.00 0.00 O ATOM 5 CB VAL A 1 -0.055 -9.890 -0.087 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.610 -8.787 0.740 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.910 -10.361 -1.177 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.415 -12.661 -0.515 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.766 -12.616 0.512 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.649 -11.527 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 1 0.473 -11.496 1.295 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.963 -9.502 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.864 -7.949 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.077 -8.450 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.518 -9.176 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.163 -9.523 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.818 -10.750 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.438 -11.147 -1.766 1.00 0.00 H new ATOM 19 N THR A 2 -1.547 -11.433 2.939 1.00 0.00 N ATOM 20 CA THR A 2 -2.447 -11.039 4.061 1.00 0.00 C ATOM 21 C THR A 2 -1.729 -11.190 5.405 1.00 0.00 C ATOM 22 O THR A 2 -0.882 -12.046 5.577 1.00 0.00 O ATOM 23 CB THR A 2 -3.632 -12.002 3.980 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.217 -11.924 2.687 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.673 -11.626 5.038 1.00 0.00 C ATOM 0 H THR A 2 -1.132 -12.361 3.019 1.00 0.00 H new ATOM 0 HA THR A 2 -2.759 -9.997 3.985 1.00 0.00 H new ATOM 0 HB THR A 2 -3.286 -13.020 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.976 -12.542 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.517 -12.313 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.223 -11.688 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.021 -10.608 4.861 1.00 0.00 H new ATOM 33 N VAL A 3 -2.074 -10.370 6.360 1.00 0.00 N ATOM 34 CA VAL A 3 -1.427 -10.470 7.699 1.00 0.00 C ATOM 35 C VAL A 3 -2.112 -11.566 8.517 1.00 0.00 C ATOM 36 O VAL A 3 -3.252 -11.432 8.915 1.00 0.00 O ATOM 37 CB VAL A 3 -1.639 -9.101 8.347 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.051 -9.107 9.759 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.943 -8.028 7.510 1.00 0.00 C ATOM 0 H VAL A 3 -2.776 -9.635 6.271 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.369 -10.725 7.637 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.706 -8.886 8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.202 -8.131 10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.547 -9.872 10.357 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.016 -9.322 9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.094 -7.052 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.124 -8.243 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.362 -8.022 6.504 1.00 0.00 H new ATOM 49 N GLN A 4 -1.434 -12.653 8.765 1.00 0.00 N ATOM 50 CA GLN A 4 -2.065 -13.752 9.549 1.00 0.00 C ATOM 51 C GLN A 4 -1.377 -13.912 10.905 1.00 0.00 C ATOM 52 O GLN A 4 -0.167 -13.951 11.002 1.00 0.00 O ATOM 53 CB GLN A 4 -1.864 -15.009 8.702 1.00 0.00 C ATOM 54 CG GLN A 4 -2.569 -16.191 9.372 1.00 0.00 C ATOM 55 CD GLN A 4 -2.193 -17.488 8.651 1.00 0.00 C ATOM 56 OE1 GLN A 4 -2.461 -17.645 7.477 1.00 0.00 O ATOM 57 NE2 GLN A 4 -1.577 -18.431 9.311 1.00 0.00 N ATOM 0 H GLN A 4 -0.476 -12.827 8.461 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.118 -13.554 9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.264 -14.853 7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.800 -15.221 8.592 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.283 -16.251 10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.649 -16.047 9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.352 -18.300 10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.321 -19.299 8.841 1.00 0.00 H new ATOM 66 N ASP A 5 -2.146 -14.020 11.953 1.00 0.00 N ATOM 67 CA ASP A 5 -1.547 -14.195 13.305 1.00 0.00 C ATOM 68 C ASP A 5 -1.513 -15.681 13.657 1.00 0.00 C ATOM 69 O ASP A 5 -0.469 -16.304 13.677 1.00 0.00 O ATOM 70 CB ASP A 5 -2.473 -13.436 14.255 1.00 0.00 C ATOM 71 CG ASP A 5 -1.869 -13.430 15.661 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.747 -13.887 15.804 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.538 -12.968 16.570 1.00 0.00 O ATOM 0 H ASP A 5 -3.165 -13.994 11.931 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.524 -13.823 13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.613 -12.414 13.904 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.457 -13.905 14.272 1.00 0.00 H new ATOM 78 N GLY A 6 -2.650 -16.253 13.926 1.00 0.00 N ATOM 79 CA GLY A 6 -2.697 -17.700 14.268 1.00 0.00 C ATOM 80 C GLY A 6 -3.151 -18.493 13.040 1.00 0.00 C ATOM 81 O GLY A 6 -2.619 -18.338 11.958 1.00 0.00 O ATOM 0 H GLY A 6 -3.553 -15.779 13.924 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.714 -18.041 14.593 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.383 -17.868 15.098 1.00 0.00 H new ATOM 85 N ASN A 7 -4.125 -19.346 13.198 1.00 0.00 N ATOM 86 CA ASN A 7 -4.607 -20.152 12.039 1.00 0.00 C ATOM 87 C ASN A 7 -5.544 -19.322 11.156 1.00 0.00 C ATOM 88 O ASN A 7 -6.109 -19.818 10.202 1.00 0.00 O ATOM 89 CB ASN A 7 -5.362 -21.326 12.664 1.00 0.00 C ATOM 90 CG ASN A 7 -4.422 -22.107 13.584 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.144 -22.123 13.326 1.00 0.00 O flip ATOM 92 ND2 ASN A 7 -4.855 -22.708 14.548 1.00 0.00 N flip ATOM 0 H ASN A 7 -4.609 -19.520 14.079 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.787 -20.482 11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.220 -20.961 13.229 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.749 -21.980 11.883 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.855 -22.696 14.750 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.219 -23.225 15.155 1.00 0.00 H new ATOM 99 N PHE A 8 -5.718 -18.066 11.463 1.00 0.00 N ATOM 100 CA PHE A 8 -6.625 -17.218 10.634 1.00 0.00 C ATOM 101 C PHE A 8 -5.853 -16.052 10.009 1.00 0.00 C ATOM 102 O PHE A 8 -5.079 -15.382 10.666 1.00 0.00 O ATOM 103 CB PHE A 8 -7.681 -16.702 11.611 1.00 0.00 C ATOM 104 CG PHE A 8 -8.462 -17.870 12.162 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.548 -18.386 11.444 1.00 0.00 C ATOM 106 CD2 PHE A 8 -8.100 -18.440 13.388 1.00 0.00 C ATOM 107 CE1 PHE A 8 -10.271 -19.472 11.953 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.823 -19.526 13.896 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.909 -20.041 13.178 1.00 0.00 C ATOM 0 H PHE A 8 -5.274 -17.590 12.249 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.067 -17.776 9.808 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.205 -16.153 12.423 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.352 -16.007 11.106 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.828 -17.947 10.498 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.263 -18.042 13.942 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.108 -19.870 11.399 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.543 -19.966 14.842 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.467 -20.878 13.570 1.00 0.00 H new ATOM 119 N SER A 9 -6.063 -15.802 8.744 1.00 0.00 N ATOM 120 CA SER A 9 -5.348 -14.678 8.070 1.00 0.00 C ATOM 121 C SER A 9 -6.134 -13.376 8.249 1.00 0.00 C ATOM 122 O SER A 9 -7.340 -13.344 8.105 1.00 0.00 O ATOM 123 CB SER A 9 -5.293 -15.073 6.594 1.00 0.00 C ATOM 124 OG SER A 9 -4.516 -14.125 5.878 1.00 0.00 O ATOM 0 H SER A 9 -6.700 -16.329 8.147 1.00 0.00 H new ATOM 0 HA SER A 9 -4.353 -14.511 8.483 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.860 -16.068 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.301 -15.119 6.181 1.00 0.00 H new ATOM 0 HG SER A 9 -3.717 -14.563 5.517 1.00 0.00 H new ATOM 130 N PHE A 10 -5.463 -12.303 8.571 1.00 0.00 N ATOM 131 CA PHE A 10 -6.180 -11.011 8.768 1.00 0.00 C ATOM 132 C PHE A 10 -5.752 -9.980 7.719 1.00 0.00 C ATOM 133 O PHE A 10 -4.582 -9.693 7.560 1.00 0.00 O ATOM 134 CB PHE A 10 -5.769 -10.543 10.164 1.00 0.00 C ATOM 135 CG PHE A 10 -6.260 -11.529 11.196 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.632 -11.679 11.420 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.342 -12.290 11.930 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.087 -12.590 12.380 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.798 -13.202 12.889 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.172 -13.352 13.114 1.00 0.00 C ATOM 0 H PHE A 10 -4.453 -12.265 8.706 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.259 -11.129 8.667 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.685 -10.450 10.222 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.184 -9.555 10.364 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.340 -11.093 10.853 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.282 -12.173 11.756 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.147 -12.705 12.554 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.091 -13.790 13.455 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.525 -14.055 13.854 1.00 0.00 H new ATOM 150 N SER A 11 -6.692 -9.414 7.012 1.00 0.00 N ATOM 151 CA SER A 11 -6.341 -8.393 5.982 1.00 0.00 C ATOM 152 C SER A 11 -6.007 -7.063 6.663 1.00 0.00 C ATOM 153 O SER A 11 -6.158 -6.914 7.860 1.00 0.00 O ATOM 154 CB SER A 11 -7.596 -8.254 5.119 1.00 0.00 C ATOM 155 OG SER A 11 -7.310 -7.432 3.997 1.00 0.00 O ATOM 0 H SER A 11 -7.688 -9.614 7.103 1.00 0.00 H new ATOM 0 HA SER A 11 -5.472 -8.679 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.933 -9.236 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.407 -7.820 5.704 1.00 0.00 H new ATOM 0 HG SER A 11 -8.113 -7.344 3.443 1.00 0.00 H new ATOM 161 N LEU A 12 -5.545 -6.096 5.917 1.00 0.00 N ATOM 162 CA LEU A 12 -5.194 -4.783 6.532 1.00 0.00 C ATOM 163 C LEU A 12 -6.277 -3.740 6.240 1.00 0.00 C ATOM 164 O LEU A 12 -6.139 -2.580 6.575 1.00 0.00 O ATOM 165 CB LEU A 12 -3.875 -4.378 5.873 1.00 0.00 C ATOM 166 CG LEU A 12 -2.810 -5.442 6.151 1.00 0.00 C ATOM 167 CD1 LEU A 12 -3.061 -6.663 5.265 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.425 -4.869 5.843 1.00 0.00 C ATOM 0 H LEU A 12 -5.396 -6.158 4.910 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.110 -4.852 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.015 -4.262 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.547 -3.412 6.258 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.859 -5.737 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.302 -7.419 5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.047 -7.073 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.013 -6.368 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.666 -5.626 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.378 -4.573 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.243 -3.999 6.474 1.00 0.00 H new ATOM 180 N GLU A 13 -7.351 -4.137 5.615 1.00 0.00 N ATOM 181 CA GLU A 13 -8.435 -3.161 5.298 1.00 0.00 C ATOM 182 C GLU A 13 -9.187 -2.754 6.571 1.00 0.00 C ATOM 183 O GLU A 13 -9.045 -1.650 7.058 1.00 0.00 O ATOM 184 CB GLU A 13 -9.367 -3.896 4.335 1.00 0.00 C ATOM 185 CG GLU A 13 -10.460 -2.937 3.855 1.00 0.00 C ATOM 186 CD GLU A 13 -11.437 -3.687 2.946 1.00 0.00 C ATOM 187 OE1 GLU A 13 -11.223 -4.867 2.725 1.00 0.00 O ATOM 188 OE2 GLU A 13 -12.383 -3.067 2.489 1.00 0.00 O ATOM 0 H GLU A 13 -7.526 -5.094 5.310 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.040 -2.243 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.802 -4.277 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.815 -4.757 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.991 -2.518 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.014 -2.101 3.316 1.00 0.00 H new ATOM 195 N SER A 14 -9.994 -3.629 7.108 1.00 0.00 N ATOM 196 CA SER A 14 -10.759 -3.278 8.342 1.00 0.00 C ATOM 197 C SER A 14 -9.832 -2.673 9.399 1.00 0.00 C ATOM 198 O SER A 14 -10.143 -1.666 10.008 1.00 0.00 O ATOM 199 CB SER A 14 -11.341 -4.600 8.843 1.00 0.00 C ATOM 200 OG SER A 14 -11.924 -5.306 7.757 1.00 0.00 O ATOM 0 H SER A 14 -10.157 -4.569 6.748 1.00 0.00 H new ATOM 0 HA SER A 14 -11.533 -2.538 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.558 -5.203 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.091 -4.411 9.611 1.00 0.00 H new ATOM 0 HG SER A 14 -12.295 -6.154 8.079 1.00 0.00 H new ATOM 206 N VAL A 15 -8.693 -3.268 9.623 1.00 0.00 N ATOM 207 CA VAL A 15 -7.764 -2.709 10.643 1.00 0.00 C ATOM 208 C VAL A 15 -7.402 -1.269 10.278 1.00 0.00 C ATOM 209 O VAL A 15 -7.528 -0.369 11.084 1.00 0.00 O ATOM 210 CB VAL A 15 -6.542 -3.625 10.614 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.365 -2.938 11.308 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.886 -4.922 11.352 1.00 0.00 C ATOM 0 H VAL A 15 -8.368 -4.110 9.148 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.201 -2.674 11.641 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.266 -3.843 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.495 -3.595 11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.131 -2.007 10.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.629 -2.721 12.343 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.023 -5.587 11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.154 -4.694 12.384 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.727 -5.410 10.858 1.00 0.00 H new ATOM 222 N LYS A 16 -6.977 -1.027 9.067 1.00 0.00 N ATOM 223 CA LYS A 16 -6.647 0.373 8.679 1.00 0.00 C ATOM 224 C LYS A 16 -7.859 1.258 8.965 1.00 0.00 C ATOM 225 O LYS A 16 -7.775 2.240 9.676 1.00 0.00 O ATOM 226 CB LYS A 16 -6.357 0.327 7.179 1.00 0.00 C ATOM 227 CG LYS A 16 -6.019 1.736 6.683 1.00 0.00 C ATOM 228 CD LYS A 16 -5.951 1.742 5.154 1.00 0.00 C ATOM 229 CE LYS A 16 -5.577 3.143 4.663 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.829 3.941 4.784 1.00 0.00 N ATOM 0 H LYS A 16 -6.846 -1.729 8.338 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.796 0.776 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.527 -0.350 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.222 -0.062 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.774 2.444 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.066 2.060 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.214 1.016 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.912 1.443 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.776 3.572 5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.223 3.119 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.158 4.216 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.561 3.370 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.643 4.795 5.347 1.00 0.00 H new ATOM 244 N LYS A 17 -8.996 0.897 8.431 1.00 0.00 N ATOM 245 CA LYS A 17 -10.231 1.692 8.683 1.00 0.00 C ATOM 246 C LYS A 17 -10.814 1.317 10.048 1.00 0.00 C ATOM 247 O LYS A 17 -11.943 1.637 10.361 1.00 0.00 O ATOM 248 CB LYS A 17 -11.195 1.295 7.566 1.00 0.00 C ATOM 249 CG LYS A 17 -10.552 1.587 6.210 1.00 0.00 C ATOM 250 CD LYS A 17 -10.452 3.099 6.009 1.00 0.00 C ATOM 251 CE LYS A 17 -10.141 3.400 4.543 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.384 4.025 4.011 1.00 0.00 N ATOM 0 H LYS A 17 -9.122 0.083 7.829 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.042 2.765 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.441 0.236 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.129 1.848 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.561 1.136 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.145 1.141 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.387 3.578 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.672 3.511 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.289 4.073 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.891 2.491 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.251 4.262 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.177 3.359 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.593 4.892 4.546 1.00 0.00 H new ATOM 266 N LEU A 18 -10.049 0.643 10.865 1.00 0.00 N ATOM 267 CA LEU A 18 -10.540 0.247 12.213 1.00 0.00 C ATOM 268 C LEU A 18 -10.875 1.491 13.040 1.00 0.00 C ATOM 269 O LEU A 18 -11.862 1.531 13.748 1.00 0.00 O ATOM 270 CB LEU A 18 -9.359 -0.515 12.816 1.00 0.00 C ATOM 271 CG LEU A 18 -9.711 -1.037 14.210 1.00 0.00 C ATOM 272 CD1 LEU A 18 -10.998 -1.859 14.138 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.566 -1.922 14.719 1.00 0.00 C ATOM 0 H LEU A 18 -9.096 0.348 10.652 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.451 -0.351 12.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.087 -1.348 12.168 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.489 0.139 12.876 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.857 -0.198 14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.248 -2.231 15.132 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.810 -1.232 13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.854 -2.701 13.461 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.810 -2.298 15.713 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.425 -2.762 14.038 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.648 -1.337 14.768 1.00 0.00 H new ATOM 285 N LYS A 19 -10.065 2.514 12.952 1.00 0.00 N ATOM 286 CA LYS A 19 -10.348 3.756 13.729 1.00 0.00 C ATOM 287 C LYS A 19 -11.694 4.343 13.298 1.00 0.00 C ATOM 288 O LYS A 19 -12.505 4.733 14.115 1.00 0.00 O ATOM 289 CB LYS A 19 -9.207 4.715 13.383 1.00 0.00 C ATOM 290 CG LYS A 19 -7.884 4.150 13.906 1.00 0.00 C ATOM 291 CD LYS A 19 -6.740 5.094 13.529 1.00 0.00 C ATOM 292 CE LYS A 19 -6.845 6.380 14.350 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.206 7.426 13.503 1.00 0.00 N ATOM 0 H LYS A 19 -9.223 2.543 12.378 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.406 3.570 14.802 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.152 4.856 12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.395 5.694 13.824 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.930 4.031 14.989 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.707 3.161 13.484 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.781 4.611 13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.782 5.326 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.884 6.627 14.567 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.335 6.280 15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.238 8.340 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.216 7.166 13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.718 7.502 12.601 1.00 0.00 H new ATOM 307 N ASP A 20 -11.941 4.401 12.017 1.00 0.00 N ATOM 308 CA ASP A 20 -13.237 4.952 11.526 1.00 0.00 C ATOM 309 C ASP A 20 -14.073 3.829 10.911 1.00 0.00 C ATOM 310 O ASP A 20 -13.702 3.243 9.914 1.00 0.00 O ATOM 311 CB ASP A 20 -12.855 5.982 10.462 1.00 0.00 C ATOM 312 CG ASP A 20 -14.114 6.702 9.974 1.00 0.00 C ATOM 313 OD1 ASP A 20 -15.168 6.457 10.536 1.00 0.00 O ATOM 314 OD2 ASP A 20 -14.002 7.485 9.045 1.00 0.00 O ATOM 0 H ASP A 20 -11.299 4.090 11.288 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.831 5.399 12.324 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.148 6.702 10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.357 5.490 9.626 1.00 0.00 H new ATOM 319 N LEU A 21 -15.195 3.515 11.499 1.00 0.00 N ATOM 320 CA LEU A 21 -16.040 2.420 10.944 1.00 0.00 C ATOM 321 C LEU A 21 -17.138 2.988 10.041 1.00 0.00 C ATOM 322 O LEU A 21 -18.101 3.566 10.505 1.00 0.00 O ATOM 323 CB LEU A 21 -16.653 1.727 12.160 1.00 0.00 C ATOM 324 CG LEU A 21 -17.030 0.291 11.791 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.725 0.275 10.426 1.00 0.00 C ATOM 326 CD2 LEU A 21 -15.766 -0.567 11.729 1.00 0.00 C ATOM 0 H LEU A 21 -15.562 3.967 12.336 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.457 1.731 10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.944 1.727 12.988 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.536 2.271 12.496 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.707 -0.110 12.545 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.992 -0.749 10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.627 0.886 10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.051 0.677 9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.033 -1.590 11.466 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.089 -0.164 10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.273 -0.559 12.701 1.00 0.00 H new ATOM 518 N ARG A 33 -2.843 -0.185 1.589 1.00 0.00 N ATOM 519 CA ARG A 33 -3.352 0.367 2.877 1.00 0.00 C ATOM 520 C ARG A 33 -2.200 0.958 3.694 1.00 0.00 C ATOM 521 O ARG A 33 -1.110 0.424 3.723 1.00 0.00 O ATOM 522 CB ARG A 33 -3.968 -0.830 3.603 1.00 0.00 C ATOM 523 CG ARG A 33 -5.220 -1.288 2.853 1.00 0.00 C ATOM 524 CD ARG A 33 -5.875 -2.438 3.620 1.00 0.00 C ATOM 525 NE ARG A 33 -7.013 -2.872 2.762 1.00 0.00 N ATOM 526 CZ ARG A 33 -6.804 -3.689 1.766 1.00 0.00 C ATOM 527 NH1 ARG A 33 -5.949 -4.668 1.893 1.00 0.00 N ATOM 528 NH2 ARG A 33 -7.449 -3.529 0.643 1.00 0.00 N ATOM 0 HA ARG A 33 -4.075 1.169 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.247 -1.645 3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.223 -0.557 4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.920 -0.459 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.957 -1.610 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.171 -3.254 3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.221 -2.112 4.601 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.955 -2.531 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.445 -4.794 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.786 -5.307 1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.117 -2.765 0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.285 -4.168 -0.135 1.00 0.00 H new ATOM 542 N ASN A 34 -2.433 2.059 4.356 1.00 0.00 N ATOM 543 CA ASN A 34 -1.350 2.684 5.168 1.00 0.00 C ATOM 544 C ASN A 34 -1.877 3.057 6.557 1.00 0.00 C ATOM 545 O ASN A 34 -3.048 2.907 6.847 1.00 0.00 O ATOM 546 CB ASN A 34 -0.943 3.936 4.390 1.00 0.00 C ATOM 547 CG ASN A 34 -2.005 5.023 4.575 1.00 0.00 C ATOM 548 OD1 ASN A 34 -3.089 4.756 5.055 1.00 0.00 O ATOM 549 ND2 ASN A 34 -1.737 6.247 4.211 1.00 0.00 N ATOM 0 H ASN A 34 -3.326 2.552 4.370 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.507 2.010 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.025 4.295 4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.831 3.699 3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.437 6.979 4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.827 6.472 3.808 1.00 0.00 H new ATOM 619 N PRO A 39 1.255 3.104 16.394 1.00 0.00 N ATOM 620 CA PRO A 39 -0.133 2.754 16.777 1.00 0.00 C ATOM 621 C PRO A 39 -0.554 3.526 18.032 1.00 0.00 C ATOM 622 O PRO A 39 0.212 3.680 18.963 1.00 0.00 O ATOM 623 CB PRO A 39 -0.036 1.252 17.061 1.00 0.00 C ATOM 624 CG PRO A 39 1.417 0.796 16.824 1.00 0.00 C ATOM 625 CD PRO A 39 2.252 2.008 16.390 1.00 0.00 C ATOM 0 HA PRO A 39 -0.873 3.000 16.016 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.335 1.042 18.088 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.716 0.700 16.412 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.829 0.361 17.734 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.449 0.022 16.057 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.072 2.204 17.081 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.693 1.864 15.404 1.00 0.00 H new ATOM 633 N GLY A 40 -1.764 4.013 18.062 1.00 0.00 N ATOM 634 CA GLY A 40 -2.231 4.774 19.256 1.00 0.00 C ATOM 635 C GLY A 40 -3.752 4.664 19.369 1.00 0.00 C ATOM 636 O GLY A 40 -4.393 5.451 20.037 1.00 0.00 O ATOM 0 H GLY A 40 -2.449 3.917 17.312 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.760 4.382 20.157 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.937 5.820 19.171 1.00 0.00 H new ATOM 640 N GLU A 41 -4.335 3.692 18.722 1.00 0.00 N ATOM 641 CA GLU A 41 -5.817 3.533 18.795 1.00 0.00 C ATOM 642 C GLU A 41 -6.175 2.116 19.254 1.00 0.00 C ATOM 643 O GLU A 41 -6.598 1.296 18.463 1.00 0.00 O ATOM 644 CB GLU A 41 -6.311 3.776 17.369 1.00 0.00 C ATOM 645 CG GLU A 41 -7.455 4.791 17.392 1.00 0.00 C ATOM 646 CD GLU A 41 -8.793 4.050 17.433 1.00 0.00 C ATOM 647 OE1 GLU A 41 -8.855 2.949 16.912 1.00 0.00 O ATOM 648 OE2 GLU A 41 -9.735 4.597 17.985 1.00 0.00 O ATOM 0 H GLU A 41 -3.851 3.002 18.147 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.272 4.221 19.507 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.495 4.146 16.748 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.650 2.840 16.926 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.361 5.442 18.261 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.407 5.429 16.510 1.00 0.00 H new ATOM 655 N PRO A 42 -5.992 1.875 20.526 1.00 0.00 N ATOM 656 CA PRO A 42 -6.297 0.548 21.108 1.00 0.00 C ATOM 657 C PRO A 42 -7.784 0.222 20.947 1.00 0.00 C ATOM 658 O PRO A 42 -8.628 1.096 20.981 1.00 0.00 O ATOM 659 CB PRO A 42 -5.931 0.735 22.583 1.00 0.00 C ATOM 660 CG PRO A 42 -5.425 2.176 22.788 1.00 0.00 C ATOM 661 CD PRO A 42 -5.473 2.915 21.444 1.00 0.00 C ATOM 0 HA PRO A 42 -5.760 -0.273 20.634 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.799 0.546 23.215 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.162 0.020 22.875 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.042 2.691 23.524 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.407 2.166 23.177 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.128 3.786 21.483 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.488 3.270 21.140 1.00 0.00 H new ATOM 669 N VAL A 43 -8.112 -1.028 20.769 1.00 0.00 N ATOM 670 CA VAL A 43 -9.545 -1.404 20.604 1.00 0.00 C ATOM 671 C VAL A 43 -9.951 -2.435 21.661 1.00 0.00 C ATOM 672 O VAL A 43 -9.128 -2.950 22.391 1.00 0.00 O ATOM 673 CB VAL A 43 -9.636 -2.009 19.204 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.020 -1.044 18.189 1.00 0.00 C ATOM 675 CG2 VAL A 43 -8.877 -3.336 19.171 1.00 0.00 C ATOM 0 H VAL A 43 -7.451 -1.804 20.731 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.211 -0.549 20.725 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.682 -2.182 18.952 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.085 -1.476 17.190 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.561 -0.098 18.211 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.974 -0.869 18.441 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.942 -3.768 18.172 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.831 -3.163 19.424 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.316 -4.024 19.893 1.00 0.00 H new ATOM 685 N VAL A 44 -11.216 -2.739 21.741 1.00 0.00 N ATOM 686 CA VAL A 44 -11.690 -3.737 22.743 1.00 0.00 C ATOM 687 C VAL A 44 -11.525 -3.203 24.172 1.00 0.00 C ATOM 688 O VAL A 44 -11.000 -3.888 25.026 1.00 0.00 O ATOM 689 CB VAL A 44 -10.805 -4.967 22.529 1.00 0.00 C ATOM 690 CG1 VAL A 44 -11.475 -6.191 23.156 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.610 -5.205 21.030 1.00 0.00 C ATOM 0 H VAL A 44 -11.947 -2.338 21.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.749 -3.962 22.617 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.835 -4.801 22.998 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.846 -7.068 23.004 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.612 -6.023 24.224 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.445 -6.355 22.687 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.979 -6.081 20.880 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.579 -5.370 20.559 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.132 -4.333 20.582 1.00 0.00 H new ATOM 753 N CYS A 48 -15.160 -5.623 22.320 1.00 0.00 N ATOM 754 CA CYS A 48 -15.262 -5.281 20.871 1.00 0.00 C ATOM 755 C CYS A 48 -15.709 -3.827 20.700 1.00 0.00 C ATOM 756 O CYS A 48 -16.879 -3.509 20.792 1.00 0.00 O ATOM 757 CB CYS A 48 -16.310 -6.244 20.313 1.00 0.00 C ATOM 758 SG CYS A 48 -15.632 -7.922 20.299 1.00 0.00 S ATOM 0 HA CYS A 48 -14.308 -5.376 20.352 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.213 -6.209 20.922 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.594 -5.946 19.304 1.00 0.00 H new ATOM 763 N SER A 49 -14.782 -2.939 20.455 1.00 0.00 N ATOM 764 CA SER A 49 -15.148 -1.502 20.283 1.00 0.00 C ATOM 765 C SER A 49 -15.936 -1.297 18.989 1.00 0.00 C ATOM 766 O SER A 49 -17.086 -0.911 19.007 1.00 0.00 O ATOM 767 CB SER A 49 -13.813 -0.760 20.220 1.00 0.00 C ATOM 768 OG SER A 49 -14.049 0.640 20.231 1.00 0.00 O ATOM 0 H SER A 49 -13.787 -3.146 20.367 1.00 0.00 H new ATOM 0 HA SER A 49 -15.781 -1.142 21.094 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.188 -1.041 21.068 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.271 -1.041 19.317 1.00 0.00 H new ATOM 0 HG SER A 49 -13.193 1.116 20.192 1.00 0.00 H new ATOM 774 N ASN A 50 -15.322 -1.547 17.868 1.00 0.00 N ATOM 775 CA ASN A 50 -16.028 -1.362 16.567 1.00 0.00 C ATOM 776 C ASN A 50 -16.945 -2.557 16.280 1.00 0.00 C ATOM 777 O ASN A 50 -16.475 -3.650 16.037 1.00 0.00 O ATOM 778 CB ASN A 50 -14.911 -1.288 15.524 1.00 0.00 C ATOM 779 CG ASN A 50 -14.565 0.177 15.249 1.00 0.00 C ATOM 780 OD1 ASN A 50 -15.528 1.037 15.063 1.00 0.00 O flip ATOM 781 ND2 ASN A 50 -13.406 0.542 15.202 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.358 -1.873 17.794 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.658 -0.472 16.564 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.029 -1.820 15.882 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.227 -1.777 14.603 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.653 -0.131 15.347 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.187 1.521 15.017 1.00 0.00 H new ATOM 788 N PRO A 51 -18.232 -2.310 16.314 1.00 0.00 N ATOM 789 CA PRO A 51 -19.222 -3.380 16.050 1.00 0.00 C ATOM 790 C PRO A 51 -19.087 -3.887 14.614 1.00 0.00 C ATOM 791 O PRO A 51 -19.692 -4.868 14.229 1.00 0.00 O ATOM 792 CB PRO A 51 -20.558 -2.661 16.253 1.00 0.00 C ATOM 793 CG PRO A 51 -20.278 -1.192 16.625 1.00 0.00 C ATOM 794 CD PRO A 51 -18.762 -0.958 16.611 1.00 0.00 C ATOM 0 HA PRO A 51 -19.104 -4.255 16.689 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.157 -2.713 15.344 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.133 -3.147 17.041 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.769 -0.524 15.918 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.685 -0.968 17.611 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.470 -0.232 15.852 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.401 -0.581 17.568 1.00 0.00 H new ATOM 802 N ASN A 52 -18.300 -3.219 13.815 1.00 0.00 N ATOM 803 CA ASN A 52 -18.126 -3.652 12.405 1.00 0.00 C ATOM 804 C ASN A 52 -16.636 -3.714 12.051 1.00 0.00 C ATOM 805 O ASN A 52 -16.247 -3.506 10.918 1.00 0.00 O ATOM 806 CB ASN A 52 -18.832 -2.575 11.591 1.00 0.00 C ATOM 807 CG ASN A 52 -18.913 -3.002 10.128 1.00 0.00 C ATOM 808 OD1 ASN A 52 -18.567 -4.114 9.783 1.00 0.00 O ATOM 809 ND2 ASN A 52 -19.361 -2.153 9.250 1.00 0.00 N ATOM 0 H ASN A 52 -17.770 -2.390 14.082 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.532 -4.645 12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.834 -2.406 11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.293 -1.631 11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.423 -2.420 8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.651 -1.220 9.544 1.00 0.00 H new ATOM 816 N PHE A 53 -15.804 -4.014 13.011 1.00 0.00 N ATOM 817 CA PHE A 53 -14.342 -4.106 12.726 1.00 0.00 C ATOM 818 C PHE A 53 -14.059 -5.433 12.021 1.00 0.00 C ATOM 819 O PHE A 53 -14.977 -6.171 11.726 1.00 0.00 O ATOM 820 CB PHE A 53 -13.658 -4.048 14.100 1.00 0.00 C ATOM 821 CG PHE A 53 -13.550 -5.440 14.688 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.699 -6.226 14.841 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.302 -5.942 15.086 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.601 -7.511 15.388 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.205 -7.230 15.633 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.356 -8.013 15.783 1.00 0.00 C ATOM 0 H PHE A 53 -16.071 -4.199 13.978 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.979 -3.308 12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.665 -3.608 14.002 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.227 -3.405 14.771 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.661 -5.841 14.537 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.415 -5.336 14.971 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.488 -8.116 15.505 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.244 -7.617 15.938 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.283 -9.005 16.204 1.00 0.00 H new ATOM 836 N PRO A 54 -12.805 -5.709 11.780 1.00 0.00 N ATOM 837 CA PRO A 54 -12.438 -6.975 11.119 1.00 0.00 C ATOM 838 C PRO A 54 -12.941 -8.145 11.966 1.00 0.00 C ATOM 839 O PRO A 54 -12.187 -8.809 12.646 1.00 0.00 O ATOM 840 CB PRO A 54 -10.909 -6.903 11.075 1.00 0.00 C ATOM 841 CG PRO A 54 -10.461 -5.569 11.709 1.00 0.00 C ATOM 842 CD PRO A 54 -11.705 -4.791 12.155 1.00 0.00 C ATOM 0 HA PRO A 54 -12.867 -7.118 10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.475 -7.744 11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.556 -6.970 10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.808 -5.757 12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.887 -4.984 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.694 -4.586 13.226 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.787 -3.830 11.647 1.00 0.00 H new ATOM 850 N GLU A 55 -14.227 -8.374 11.944 1.00 0.00 N ATOM 851 CA GLU A 55 -14.817 -9.472 12.761 1.00 0.00 C ATOM 852 C GLU A 55 -13.910 -10.701 12.743 1.00 0.00 C ATOM 853 O GLU A 55 -13.826 -11.431 13.711 1.00 0.00 O ATOM 854 CB GLU A 55 -16.161 -9.772 12.101 1.00 0.00 C ATOM 855 CG GLU A 55 -16.905 -10.831 12.917 1.00 0.00 C ATOM 856 CD GLU A 55 -18.210 -11.195 12.207 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.443 -10.668 11.130 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.956 -11.994 12.750 1.00 0.00 O ATOM 0 H GLU A 55 -14.899 -7.842 11.390 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.933 -9.193 13.808 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.758 -8.862 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.007 -10.125 11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.283 -11.718 13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.116 -10.453 13.918 1.00 0.00 H new ATOM 865 N GLU A 56 -13.210 -10.930 11.668 1.00 0.00 N ATOM 866 CA GLU A 56 -12.297 -12.105 11.632 1.00 0.00 C ATOM 867 C GLU A 56 -11.389 -12.056 12.862 1.00 0.00 C ATOM 868 O GLU A 56 -10.902 -13.062 13.336 1.00 0.00 O ATOM 869 CB GLU A 56 -11.482 -11.943 10.348 1.00 0.00 C ATOM 870 CG GLU A 56 -10.606 -13.180 10.141 1.00 0.00 C ATOM 871 CD GLU A 56 -11.488 -14.376 9.778 1.00 0.00 C ATOM 872 OE1 GLU A 56 -12.569 -14.152 9.260 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.068 -15.494 10.027 1.00 0.00 O ATOM 0 H GLU A 56 -13.229 -10.361 10.821 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.825 -13.059 11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.148 -11.809 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.860 -11.050 10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.880 -12.996 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.040 -13.394 11.048 1.00 0.00 H new ATOM 880 N LEU A 57 -11.182 -10.877 13.386 1.00 0.00 N ATOM 881 CA LEU A 57 -10.325 -10.727 14.597 1.00 0.00 C ATOM 882 C LEU A 57 -11.153 -10.997 15.855 1.00 0.00 C ATOM 883 O LEU A 57 -10.737 -10.710 16.960 1.00 0.00 O ATOM 884 CB LEU A 57 -9.850 -9.272 14.577 1.00 0.00 C ATOM 885 CG LEU A 57 -8.918 -9.045 13.384 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.660 -7.547 13.221 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.587 -9.757 13.627 1.00 0.00 C ATOM 0 H LEU A 57 -11.572 -10.007 13.024 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.489 -11.426 14.600 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.707 -8.601 14.513 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.330 -9.037 15.506 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.385 -9.442 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.996 -7.382 12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.605 -7.032 13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.194 -7.157 14.126 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.926 -9.593 12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.122 -9.360 14.529 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.763 -10.826 13.749 1.00 0.00 H new ATOM 899 N LYS A 58 -12.330 -11.545 15.695 1.00 0.00 N ATOM 900 CA LYS A 58 -13.191 -11.831 16.878 1.00 0.00 C ATOM 901 C LYS A 58 -12.346 -12.351 18.044 1.00 0.00 C ATOM 902 O LYS A 58 -12.431 -11.834 19.140 1.00 0.00 O ATOM 903 CB LYS A 58 -14.170 -12.906 16.405 1.00 0.00 C ATOM 904 CG LYS A 58 -15.540 -12.273 16.153 1.00 0.00 C ATOM 905 CD LYS A 58 -16.558 -12.848 17.140 1.00 0.00 C ATOM 906 CE LYS A 58 -17.767 -13.386 16.372 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.343 -14.438 17.257 1.00 0.00 N ATOM 0 H LYS A 58 -12.731 -11.807 14.794 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.704 -10.938 17.236 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.800 -13.374 15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.253 -13.693 17.155 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.479 -11.191 16.267 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.860 -12.468 15.129 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.102 -13.646 17.726 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.874 -12.077 17.843 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.492 -12.597 16.172 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.471 -13.799 15.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.234 -14.785 16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.670 -15.227 17.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.527 -14.037 18.199 1.00 0.00 H new ATOM 921 N PRO A 59 -11.548 -13.354 17.777 1.00 0.00 N ATOM 922 CA PRO A 59 -10.686 -13.926 18.831 1.00 0.00 C ATOM 923 C PRO A 59 -9.806 -12.833 19.445 1.00 0.00 C ATOM 924 O PRO A 59 -9.669 -12.740 20.648 1.00 0.00 O ATOM 925 CB PRO A 59 -9.860 -14.966 18.067 1.00 0.00 C ATOM 926 CG PRO A 59 -10.301 -14.955 16.590 1.00 0.00 C ATOM 927 CD PRO A 59 -11.461 -13.962 16.428 1.00 0.00 C ATOM 0 HA PRO A 59 -11.232 -14.361 19.668 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.797 -14.738 18.146 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.006 -15.956 18.498 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.467 -14.669 15.949 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.612 -15.953 16.282 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.254 -13.218 15.659 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.388 -14.462 16.147 1.00 0.00 H new ATOM 935 N LEU A 60 -9.210 -11.999 18.632 1.00 0.00 N ATOM 936 CA LEU A 60 -8.350 -10.916 19.181 1.00 0.00 C ATOM 937 C LEU A 60 -9.129 -10.096 20.213 1.00 0.00 C ATOM 938 O LEU A 60 -8.627 -9.773 21.274 1.00 0.00 O ATOM 939 CB LEU A 60 -7.989 -10.052 17.971 1.00 0.00 C ATOM 940 CG LEU A 60 -6.828 -10.691 17.203 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.522 -10.435 17.951 1.00 0.00 C ATOM 942 CD2 LEU A 60 -7.056 -12.199 17.082 1.00 0.00 C ATOM 0 H LEU A 60 -9.283 -12.023 17.615 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.465 -11.303 19.686 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.855 -9.946 17.317 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.712 -9.050 18.298 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.772 -10.253 16.206 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.695 -10.889 17.405 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.355 -9.361 18.035 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.582 -10.872 18.948 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.228 -12.649 16.535 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.115 -12.639 18.077 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.988 -12.384 16.547 1.00 0.00 H new ATOM 954 N CYS A 61 -10.357 -9.759 19.917 1.00 0.00 N ATOM 955 CA CYS A 61 -11.165 -8.961 20.884 1.00 0.00 C ATOM 956 C CYS A 61 -11.497 -9.802 22.121 1.00 0.00 C ATOM 957 O CYS A 61 -11.668 -9.284 23.206 1.00 0.00 O ATOM 958 CB CYS A 61 -12.439 -8.596 20.118 1.00 0.00 C ATOM 959 SG CYS A 61 -13.736 -8.103 21.282 1.00 0.00 S ATOM 0 H CYS A 61 -10.834 -10.002 19.049 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.635 -8.078 21.241 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.235 -7.783 19.421 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.774 -9.447 19.525 1.00 0.00 H new ATOM 964 N LYS A 62 -11.598 -11.094 21.965 1.00 0.00 N ATOM 965 CA LYS A 62 -11.930 -11.960 23.133 1.00 0.00 C ATOM 966 C LYS A 62 -10.685 -12.213 23.988 1.00 0.00 C ATOM 967 O LYS A 62 -10.730 -12.938 24.962 1.00 0.00 O ATOM 968 CB LYS A 62 -12.436 -13.268 22.524 1.00 0.00 C ATOM 969 CG LYS A 62 -13.764 -13.014 21.808 1.00 0.00 C ATOM 970 CD LYS A 62 -14.354 -14.345 21.340 1.00 0.00 C ATOM 971 CE LYS A 62 -15.612 -14.079 20.510 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.740 -15.268 19.621 1.00 0.00 N ATOM 0 H LYS A 62 -11.465 -11.587 21.082 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.670 -11.498 23.787 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.702 -13.664 21.822 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.568 -14.018 23.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.461 -12.511 22.479 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.609 -12.353 20.955 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.622 -14.891 20.746 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.597 -14.970 22.199 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.489 -13.965 21.147 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.517 -13.160 19.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.633 -15.211 19.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.943 -15.290 18.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.733 -16.134 20.197 1.00 0.00 H new ATOM 986 N GLU A 63 -9.576 -11.617 23.643 1.00 0.00 N ATOM 987 CA GLU A 63 -8.342 -11.830 24.452 1.00 0.00 C ATOM 988 C GLU A 63 -7.752 -10.481 24.881 1.00 0.00 C ATOM 989 O GLU A 63 -7.767 -9.532 24.122 1.00 0.00 O ATOM 990 CB GLU A 63 -7.374 -12.571 23.527 1.00 0.00 C ATOM 991 CG GLU A 63 -7.274 -11.831 22.192 1.00 0.00 C ATOM 992 CD GLU A 63 -6.365 -12.613 21.244 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.574 -13.806 21.103 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.473 -12.005 20.675 1.00 0.00 O ATOM 0 H GLU A 63 -9.471 -10.996 22.841 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.541 -12.395 25.363 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.390 -12.638 23.992 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.720 -13.592 23.364 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.265 -11.717 21.752 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.877 -10.828 22.349 1.00 0.00 H new ATOM 1001 N PRO A 64 -7.253 -10.441 26.089 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.652 -9.199 26.629 1.00 0.00 C ATOM 1003 C PRO A 64 -5.452 -8.766 25.781 1.00 0.00 C ATOM 1004 O PRO A 64 -4.940 -7.673 25.926 1.00 0.00 O ATOM 1005 CB PRO A 64 -6.214 -9.619 28.034 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.586 -11.099 28.247 1.00 0.00 C ATOM 1007 CD PRO A 64 -7.260 -11.628 26.974 1.00 0.00 C ATOM 0 HA PRO A 64 -7.333 -8.348 26.629 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.140 -9.479 28.152 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.701 -8.995 28.784 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.694 -11.684 28.473 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.258 -11.200 29.100 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.708 -12.461 26.539 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.272 -11.983 27.168 1.00 0.00 H new ATOM 1015 N ASN A 65 -5.000 -9.613 24.898 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.835 -9.246 24.043 1.00 0.00 C ATOM 1017 C ASN A 65 -4.291 -8.352 22.887 1.00 0.00 C ATOM 1018 O ASN A 65 -3.494 -7.708 22.235 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.297 -10.575 23.514 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.801 -11.427 24.684 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.566 -10.919 25.762 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.630 -12.710 24.516 1.00 0.00 N ATOM 0 H ASN A 65 -5.386 -10.542 24.731 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.076 -8.691 24.594 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.079 -11.105 22.970 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.484 -10.396 22.810 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.299 -13.286 25.290 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.827 -13.137 23.611 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.570 -8.307 22.629 1.00 0.00 N ATOM 1030 CA ALA A 66 -6.075 -7.453 21.516 1.00 0.00 C ATOM 1031 C ALA A 66 -5.472 -6.050 21.614 1.00 0.00 C ATOM 1032 O ALA A 66 -5.172 -5.422 20.618 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.590 -7.402 21.712 1.00 0.00 C ATOM 0 H ALA A 66 -6.286 -8.824 23.140 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.805 -7.847 20.536 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.038 -6.790 20.929 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.998 -8.412 21.661 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.816 -6.968 22.686 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.292 -5.554 22.808 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.707 -4.193 22.965 1.00 0.00 C ATOM 1041 C GLN A 67 -3.288 -4.161 22.391 1.00 0.00 C ATOM 1042 O GLN A 67 -2.897 -3.218 21.731 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.681 -3.943 24.472 1.00 0.00 C ATOM 1044 CG GLN A 67 -4.217 -2.511 24.741 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.163 -2.267 26.251 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.637 -3.073 27.025 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -3.597 -1.182 26.703 1.00 0.00 N ATOM 0 H GLN A 67 -5.524 -6.031 23.679 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.282 -3.432 22.437 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.673 -4.101 24.895 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.010 -4.652 24.958 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.234 -2.347 24.300 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.899 -1.802 24.271 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.199 -0.505 26.052 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.553 -1.010 27.707 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.519 -5.188 22.627 1.00 0.00 N ATOM 1057 CA GLU A 68 -1.130 -5.221 22.085 1.00 0.00 C ATOM 1058 C GLU A 68 -1.156 -5.646 20.615 1.00 0.00 C ATOM 1059 O GLU A 68 -0.443 -5.110 19.790 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.396 -6.259 22.936 1.00 0.00 C ATOM 1061 CG GLU A 68 1.074 -6.319 22.513 1.00 0.00 C ATOM 1062 CD GLU A 68 1.779 -5.027 22.930 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.309 -4.392 23.859 1.00 0.00 O ATOM 1064 OE2 GLU A 68 2.777 -4.695 22.312 1.00 0.00 O ATOM 0 H GLU A 68 -2.792 -6.006 23.172 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.642 -4.247 22.128 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.471 -5.998 23.992 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.860 -7.238 22.815 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.562 -7.177 22.975 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.148 -6.454 21.434 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.975 -6.607 20.283 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.051 -7.067 18.867 1.00 0.00 C ATOM 1073 C ILE A 69 -2.575 -5.939 17.977 1.00 0.00 C ATOM 1074 O ILE A 69 -2.097 -5.725 16.880 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.035 -8.236 18.876 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.521 -9.334 19.811 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.170 -8.793 17.459 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.600 -10.408 19.975 1.00 0.00 C ATOM 0 H ILE A 69 -2.595 -7.093 20.931 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.076 -7.360 18.477 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.007 -7.891 19.227 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.611 -9.776 19.405 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.264 -8.910 20.782 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.871 -9.627 17.461 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.538 -8.011 16.794 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.197 -9.138 17.109 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.236 -11.191 20.640 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.498 -9.960 20.400 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.835 -10.839 19.002 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.559 -5.217 18.441 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.119 -4.105 17.623 1.00 0.00 C ATOM 1092 C LEU A 70 -3.002 -3.160 17.171 1.00 0.00 C ATOM 1093 O LEU A 70 -2.834 -2.904 15.995 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.096 -3.383 18.554 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.555 -2.072 17.909 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.515 -0.981 18.177 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.710 -2.268 16.400 1.00 0.00 C ATOM 0 H LEU A 70 -3.999 -5.350 19.352 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.609 -4.464 16.718 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.957 -4.020 18.757 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.617 -3.180 19.512 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.513 -1.776 18.335 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.841 -0.047 17.718 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.406 -0.838 19.252 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.557 -1.279 17.752 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.037 -1.334 15.943 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.753 -2.566 15.972 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.451 -3.044 16.208 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.234 -2.640 18.089 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.132 -1.713 17.698 1.00 0.00 C ATOM 1111 C GLN A 71 -0.284 -2.339 16.590 1.00 0.00 C ATOM 1112 O GLN A 71 -0.097 -1.762 15.537 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.297 -1.532 18.965 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.140 -0.848 20.041 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.311 -0.711 21.319 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.688 -1.382 21.483 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.685 0.137 22.237 1.00 0.00 N ATOM 0 H GLN A 71 -2.321 -2.816 19.090 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.509 -0.764 17.317 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.053 -2.500 19.324 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.588 -0.934 18.747 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.464 0.134 19.696 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.041 -1.429 20.238 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.524 0.701 22.099 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.138 0.237 23.092 1.00 0.00 H new ATOM 1126 N ARG A 72 0.232 -3.516 16.819 1.00 0.00 N ATOM 1127 CA ARG A 72 1.069 -4.179 15.780 1.00 0.00 C ATOM 1128 C ARG A 72 0.317 -4.221 14.449 1.00 0.00 C ATOM 1129 O ARG A 72 0.789 -3.727 13.443 1.00 0.00 O ATOM 1130 CB ARG A 72 1.310 -5.593 16.308 1.00 0.00 C ATOM 1131 CG ARG A 72 2.193 -5.528 17.556 1.00 0.00 C ATOM 1132 CD ARG A 72 2.715 -6.928 17.889 1.00 0.00 C ATOM 1133 NE ARG A 72 1.491 -7.747 18.110 1.00 0.00 N ATOM 1134 CZ ARG A 72 1.587 -8.937 18.638 1.00 0.00 C ATOM 1135 NH1 ARG A 72 1.070 -9.174 19.812 1.00 0.00 N ATOM 1136 NH2 ARG A 72 2.200 -9.890 17.991 1.00 0.00 N ATOM 0 H ARG A 72 0.110 -4.047 17.681 1.00 0.00 H new ATOM 0 HA ARG A 72 2.004 -3.649 15.600 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.360 -6.071 16.546 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.789 -6.202 15.542 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.028 -4.848 17.388 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.623 -5.132 18.397 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.318 -7.330 17.075 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.347 -6.914 18.777 1.00 0.00 H new ATOM 0 HE ARG A 72 0.577 -7.378 17.849 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.590 -8.429 20.318 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.145 -10.104 20.224 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.604 -9.705 17.073 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.275 -10.820 18.403 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.849 -4.804 14.433 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.630 -4.874 13.166 1.00 0.00 C ATOM 1152 C LEU A 73 -1.647 -3.505 12.483 1.00 0.00 C ATOM 1153 O LEU A 73 -1.371 -3.385 11.307 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.040 -5.279 13.591 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.015 -6.703 14.150 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.447 -7.184 14.382 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.321 -7.630 13.151 1.00 0.00 C ATOM 0 H LEU A 73 -1.295 -5.235 15.242 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.202 -5.580 12.454 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.417 -4.588 14.345 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.718 -5.223 12.740 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.471 -6.714 15.094 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.430 -8.199 14.780 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.942 -6.523 15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.992 -7.174 13.438 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.303 -8.645 13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.865 -7.620 12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.300 -7.287 12.985 1.00 0.00 H new ATOM 1169 N GLU A 74 -1.973 -2.472 13.211 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.008 -1.114 12.598 1.00 0.00 C ATOM 1171 C GLU A 74 -0.667 -0.798 11.927 1.00 0.00 C ATOM 1172 O GLU A 74 -0.618 -0.366 10.791 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.255 -0.155 13.763 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.596 -0.483 14.420 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.729 -0.233 13.424 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.491 0.457 12.447 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.816 -0.736 13.655 1.00 0.00 O ATOM 0 H GLU A 74 -2.216 -2.509 14.201 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.777 -1.033 11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.450 -0.239 14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.255 0.875 13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.608 -1.523 14.747 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.737 0.132 15.309 1.00 0.00 H new ATOM 1184 N GLU A 75 0.422 -1.003 12.621 1.00 0.00 N ATOM 1185 CA GLU A 75 1.758 -0.706 12.028 1.00 0.00 C ATOM 1186 C GLU A 75 1.952 -1.474 10.718 1.00 0.00 C ATOM 1187 O GLU A 75 2.218 -0.893 9.684 1.00 0.00 O ATOM 1188 CB GLU A 75 2.764 -1.177 13.079 1.00 0.00 C ATOM 1189 CG GLU A 75 4.177 -0.770 12.655 1.00 0.00 C ATOM 1190 CD GLU A 75 5.184 -1.303 13.676 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.759 -1.975 14.602 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.363 -1.032 13.514 1.00 0.00 O ATOM 0 H GLU A 75 0.443 -1.364 13.575 1.00 0.00 H new ATOM 0 HA GLU A 75 1.874 0.351 11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.524 -0.740 14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.705 -2.259 13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.401 -1.167 11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.250 0.315 12.587 1.00 0.00 H new ATOM 1199 N ILE A 76 1.819 -2.771 10.746 1.00 0.00 N ATOM 1200 CA ILE A 76 1.994 -3.557 9.492 1.00 0.00 C ATOM 1201 C ILE A 76 1.023 -3.043 8.429 1.00 0.00 C ATOM 1202 O ILE A 76 1.341 -2.973 7.258 1.00 0.00 O ATOM 1203 CB ILE A 76 1.668 -5.001 9.873 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.635 -5.469 10.963 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.812 -5.899 8.643 1.00 0.00 C ATOM 1206 CD1 ILE A 76 4.072 -5.165 10.533 1.00 0.00 C ATOM 0 H ILE A 76 1.598 -3.318 11.578 1.00 0.00 H new ATOM 0 HA ILE A 76 3.000 -3.473 9.080 1.00 0.00 H new ATOM 0 HB ILE A 76 0.645 -5.057 10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.411 -4.966 11.904 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.514 -6.538 11.137 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.580 -6.929 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.124 -5.565 7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.835 -5.844 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.762 -5.498 11.308 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.292 -5.689 9.603 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.187 -4.092 10.381 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.155 -2.663 8.839 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.148 -2.133 7.864 1.00 0.00 C ATOM 1220 C ALA A 77 -0.566 -0.901 7.170 1.00 0.00 C ATOM 1221 O ALA A 77 -0.876 -0.608 6.031 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.369 -1.753 8.702 1.00 0.00 C ATOM 0 H ALA A 77 -0.473 -2.697 9.808 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.405 -2.855 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.147 -1.353 8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.746 -2.636 9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.086 -0.998 9.436 1.00 0.00 H new ATOM 1228 N GLU A 78 0.279 -0.178 7.852 1.00 0.00 N ATOM 1229 CA GLU A 78 0.891 1.036 7.244 1.00 0.00 C ATOM 1230 C GLU A 78 1.731 0.653 6.022 1.00 0.00 C ATOM 1231 O GLU A 78 1.707 1.325 5.010 1.00 0.00 O ATOM 1232 CB GLU A 78 1.777 1.624 8.342 1.00 0.00 C ATOM 1233 CG GLU A 78 2.479 2.877 7.818 1.00 0.00 C ATOM 1234 CD GLU A 78 3.421 3.422 8.893 1.00 0.00 C ATOM 1235 OE1 GLU A 78 3.530 2.792 9.932 1.00 0.00 O ATOM 1236 OE2 GLU A 78 4.017 4.461 8.660 1.00 0.00 O ATOM 0 H GLU A 78 0.573 -0.377 8.808 1.00 0.00 H new ATOM 0 HA GLU A 78 0.141 1.748 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.175 1.871 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.515 0.888 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.040 2.641 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.742 3.633 7.548 1.00 0.00 H new ATOM 1243 N ASP A 79 2.477 -0.415 6.107 1.00 0.00 N ATOM 1244 CA ASP A 79 3.317 -0.827 4.945 1.00 0.00 C ATOM 1245 C ASP A 79 3.433 -2.351 4.882 1.00 0.00 C ATOM 1246 O ASP A 79 3.241 -3.031 5.871 1.00 0.00 O ATOM 1247 CB ASP A 79 4.688 -0.200 5.200 1.00 0.00 C ATOM 1248 CG ASP A 79 5.096 -0.441 6.655 1.00 0.00 C ATOM 1249 OD1 ASP A 79 5.339 -1.586 7.000 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.161 0.524 7.399 1.00 0.00 O ATOM 0 H ASP A 79 2.542 -1.018 6.927 1.00 0.00 H new ATOM 0 HA ASP A 79 2.888 -0.502 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.428 -0.632 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.655 0.870 4.993 1.00 0.00 H new ATOM 1255 N PRO A 80 3.749 -2.838 3.711 1.00 0.00 N ATOM 1256 CA PRO A 80 3.899 -4.296 3.499 1.00 0.00 C ATOM 1257 C PRO A 80 5.040 -4.851 4.355 1.00 0.00 C ATOM 1258 O PRO A 80 4.849 -5.749 5.151 1.00 0.00 O ATOM 1259 CB PRO A 80 4.235 -4.384 2.008 1.00 0.00 C ATOM 1260 CG PRO A 80 4.266 -2.959 1.421 1.00 0.00 C ATOM 1261 CD PRO A 80 3.969 -1.955 2.542 1.00 0.00 C ATOM 0 HA PRO A 80 3.017 -4.873 3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.200 -4.871 1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.492 -4.990 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.241 -2.754 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.529 -2.863 0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.800 -1.268 2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.091 -1.347 2.321 1.00 0.00 H new ATOM 1269 N GLY A 81 6.229 -4.334 4.196 1.00 0.00 N ATOM 1270 CA GLY A 81 7.373 -4.847 4.999 1.00 0.00 C ATOM 1271 C GLY A 81 7.843 -6.176 4.406 1.00 0.00 C ATOM 1272 O GLY A 81 7.879 -6.351 3.204 1.00 0.00 O ATOM 0 H GLY A 81 6.456 -3.581 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.189 -4.124 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.072 -4.984 6.038 1.00 0.00 H new ATOM 1276 N THR A 82 8.195 -7.117 5.237 1.00 0.00 N ATOM 1277 CA THR A 82 8.652 -8.435 4.713 1.00 0.00 C ATOM 1278 C THR A 82 7.440 -9.266 4.283 1.00 0.00 C ATOM 1279 O THR A 82 7.542 -10.173 3.481 1.00 0.00 O ATOM 1280 CB THR A 82 9.372 -9.100 5.888 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.453 -9.302 6.953 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.516 -8.202 6.362 1.00 0.00 C ATOM 0 H THR A 82 8.186 -7.031 6.253 1.00 0.00 H new ATOM 0 HA THR A 82 9.303 -8.339 3.844 1.00 0.00 H new ATOM 0 HB THR A 82 9.776 -10.061 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.940 -9.579 7.757 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.028 -8.677 7.199 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.221 -8.049 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.115 -7.240 6.680 1.00 0.00 H new ATOM 1290 N CYS A 83 6.290 -8.958 4.816 1.00 0.00 N ATOM 1291 CA CYS A 83 5.069 -9.725 4.443 1.00 0.00 C ATOM 1292 C CYS A 83 4.921 -9.766 2.920 1.00 0.00 C ATOM 1293 O CYS A 83 4.773 -10.817 2.327 1.00 0.00 O ATOM 1294 CB CYS A 83 3.910 -8.952 5.077 1.00 0.00 C ATOM 1295 SG CYS A 83 2.351 -9.801 4.728 1.00 0.00 S ATOM 0 H CYS A 83 6.143 -8.209 5.493 1.00 0.00 H new ATOM 0 HA CYS A 83 5.104 -10.759 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.059 -8.872 6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.879 -7.936 4.683 1.00 0.00 H new ATOM 1300 N GLU A 84 4.948 -8.627 2.286 1.00 0.00 N ATOM 1301 CA GLU A 84 4.797 -8.585 0.802 1.00 0.00 C ATOM 1302 C GLU A 84 5.873 -9.428 0.110 1.00 0.00 C ATOM 1303 O GLU A 84 5.632 -10.022 -0.922 1.00 0.00 O ATOM 1304 CB GLU A 84 4.962 -7.111 0.436 1.00 0.00 C ATOM 1305 CG GLU A 84 4.713 -6.926 -1.062 1.00 0.00 C ATOM 1306 CD GLU A 84 4.992 -5.473 -1.450 1.00 0.00 C ATOM 1307 OE1 GLU A 84 5.393 -4.716 -0.580 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.801 -5.141 -2.608 1.00 0.00 O ATOM 0 H GLU A 84 5.069 -7.718 2.733 1.00 0.00 H new ATOM 0 HA GLU A 84 3.837 -8.992 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.263 -6.502 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.965 -6.772 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.355 -7.596 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.683 -7.187 -1.305 1.00 0.00 H new ATOM 1315 N ILE A 85 7.058 -9.482 0.654 1.00 0.00 N ATOM 1316 CA ILE A 85 8.132 -10.285 -0.001 1.00 0.00 C ATOM 1317 C ILE A 85 8.200 -11.688 0.611 1.00 0.00 C ATOM 1318 O ILE A 85 9.137 -12.429 0.389 1.00 0.00 O ATOM 1319 CB ILE A 85 9.427 -9.511 0.256 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.786 -9.582 1.740 1.00 0.00 C ATOM 1321 CG2 ILE A 85 9.232 -8.048 -0.149 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.898 -8.578 2.045 1.00 0.00 C ATOM 0 H ILE A 85 7.329 -9.009 1.516 1.00 0.00 H new ATOM 0 HA ILE A 85 7.951 -10.421 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 85 10.233 -9.951 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.908 -9.364 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.111 -10.590 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.153 -7.494 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.979 -7.994 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.424 -7.612 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.154 -8.629 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.778 -8.817 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.556 -7.572 1.802 1.00 0.00 H new ATOM 1334 N CYS A 86 7.210 -12.058 1.377 1.00 0.00 N ATOM 1335 CA CYS A 86 7.212 -13.415 1.998 1.00 0.00 C ATOM 1336 C CYS A 86 8.482 -13.623 2.828 1.00 0.00 C ATOM 1337 O CYS A 86 8.824 -14.733 3.186 1.00 0.00 O ATOM 1338 CB CYS A 86 7.177 -14.390 0.821 1.00 0.00 C ATOM 1339 SG CYS A 86 5.881 -13.891 -0.340 1.00 0.00 S ATOM 0 H CYS A 86 6.400 -11.480 1.600 1.00 0.00 H new ATOM 0 HA CYS A 86 6.368 -13.557 2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.144 -14.404 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.989 -15.402 1.179 1.00 0.00 H new ATOM 1344 N ALA A 87 9.182 -12.568 3.138 1.00 0.00 N ATOM 1345 CA ALA A 87 10.426 -12.716 3.946 1.00 0.00 C ATOM 1346 C ALA A 87 10.080 -13.193 5.358 1.00 0.00 C ATOM 1347 O ALA A 87 10.943 -13.553 6.133 1.00 0.00 O ATOM 1348 CB ALA A 87 11.042 -11.317 3.989 1.00 0.00 C ATOM 0 H ALA A 87 8.948 -11.612 2.868 1.00 0.00 H new ATOM 0 HA ALA A 87 11.112 -13.448 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.965 -11.343 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.260 -10.984 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.341 -10.625 4.455 1.00 0.00 H new ATOM 1354 N TYR A 88 8.820 -13.195 5.698 1.00 0.00 N ATOM 1355 CA TYR A 88 8.416 -13.644 7.059 1.00 0.00 C ATOM 1356 C TYR A 88 7.057 -14.348 7.007 1.00 0.00 C ATOM 1357 O TYR A 88 6.358 -14.301 6.014 1.00 0.00 O ATOM 1358 CB TYR A 88 8.324 -12.361 7.884 1.00 0.00 C ATOM 1359 CG TYR A 88 8.175 -12.708 9.346 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.011 -13.670 9.927 1.00 0.00 C ATOM 1361 CD2 TYR A 88 7.202 -12.067 10.121 1.00 0.00 C ATOM 1362 CE1 TYR A 88 8.872 -13.990 11.284 1.00 0.00 C ATOM 1363 CE2 TYR A 88 7.064 -12.387 11.476 1.00 0.00 C ATOM 1364 CZ TYR A 88 7.898 -13.347 12.058 1.00 0.00 C ATOM 1365 OH TYR A 88 7.762 -13.664 13.394 1.00 0.00 O ATOM 0 H TYR A 88 8.053 -12.905 5.091 1.00 0.00 H new ATOM 0 HA TYR A 88 9.123 -14.356 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.217 -11.755 7.733 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.474 -11.764 7.553 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.762 -14.165 9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.557 -11.325 9.673 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.516 -14.732 11.733 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.313 -11.892 12.073 1.00 0.00 H new ATOM 0 HH TYR A 88 7.042 -13.127 13.786 1.00 0.00 H new ATOM 1375 N ALA A 89 6.682 -15.006 8.070 1.00 0.00 N ATOM 1376 CA ALA A 89 5.371 -15.718 8.087 1.00 0.00 C ATOM 1377 C ALA A 89 4.219 -14.718 8.242 1.00 0.00 C ATOM 1378 O ALA A 89 3.072 -15.096 8.370 1.00 0.00 O ATOM 1379 CB ALA A 89 5.443 -16.648 9.297 1.00 0.00 C ATOM 0 H ALA A 89 7.227 -15.082 8.929 1.00 0.00 H new ATOM 0 HA ALA A 89 5.188 -16.264 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.513 -17.210 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.276 -17.341 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.592 -16.058 10.201 1.00 0.00 H new ATOM 1385 N ALA A 90 4.515 -13.446 8.236 1.00 0.00 N ATOM 1386 CA ALA A 90 3.435 -12.429 8.386 1.00 0.00 C ATOM 1387 C ALA A 90 2.485 -12.474 7.186 1.00 0.00 C ATOM 1388 O ALA A 90 1.289 -12.308 7.324 1.00 0.00 O ATOM 1389 CB ALA A 90 4.163 -11.085 8.441 1.00 0.00 C ATOM 0 H ALA A 90 5.457 -13.068 8.134 1.00 0.00 H new ATOM 0 HA ALA A 90 2.828 -12.604 9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.435 -10.281 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.846 -11.075 9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.728 -10.939 7.520 1.00 0.00 H new ATOM 1395 N CYS A 91 3.006 -12.693 6.008 1.00 0.00 N ATOM 1396 CA CYS A 91 2.126 -12.741 4.804 1.00 0.00 C ATOM 1397 C CYS A 91 1.816 -14.189 4.424 1.00 0.00 C ATOM 1398 O CYS A 91 2.703 -14.979 4.166 1.00 0.00 O ATOM 1399 CB CYS A 91 2.930 -12.064 3.694 1.00 0.00 C ATOM 1400 SG CYS A 91 2.000 -10.651 3.051 1.00 0.00 S ATOM 0 H CYS A 91 3.999 -12.840 5.828 1.00 0.00 H new ATOM 0 HA CYS A 91 1.170 -12.247 4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.895 -11.733 4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.133 -12.774 2.893 1.00 0.00 H new ATOM 1405 N THR A 92 0.561 -14.544 4.383 1.00 0.00 N ATOM 1406 CA THR A 92 0.195 -15.941 4.013 1.00 0.00 C ATOM 1407 C THR A 92 -0.483 -15.963 2.640 1.00 0.00 C ATOM 1408 O THR A 92 -1.091 -14.998 2.222 1.00 0.00 O ATOM 1409 CB THR A 92 -0.779 -16.397 5.101 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.021 -15.728 4.932 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.199 -16.065 6.476 1.00 0.00 C ATOM 0 H THR A 92 -0.226 -13.928 4.589 1.00 0.00 H new ATOM 0 HA THR A 92 1.066 -16.593 3.947 1.00 0.00 H new ATOM 0 HB THR A 92 -0.934 -17.473 5.025 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.692 -16.130 5.522 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.893 -16.390 7.252 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.754 -16.579 6.603 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.044 -14.989 6.555 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.382 -17.057 1.937 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.018 -17.138 0.592 1.00 0.00 C ATOM 1421 C GLY A 93 0.040 -16.902 -0.487 1.00 0.00 C ATOM 1422 O GLY A 93 -0.136 -17.263 -1.634 1.00 0.00 O ATOM 0 H GLY A 93 0.113 -17.898 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.481 -18.115 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.811 -16.395 0.508 1.00 0.00 H new ATOM 1426 N CYS A 94 1.140 -16.298 -0.128 1.00 0.00 N ATOM 1427 CA CYS A 94 2.211 -16.038 -1.132 1.00 0.00 C ATOM 1428 C CYS A 94 2.729 -17.358 -1.707 1.00 0.00 C ATOM 1429 O CYS A 94 2.708 -18.344 -0.988 1.00 0.00 O ATOM 1430 CB CYS A 94 3.315 -15.321 -0.355 1.00 0.00 C ATOM 1431 SG CYS A 94 4.557 -14.693 -1.511 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.139 -17.362 -2.856 1.00 0.00 O ATOM 0 H CYS A 94 1.343 -15.973 0.817 1.00 0.00 H new ATOM 0 HA CYS A 94 1.853 -15.445 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.892 -14.499 0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.778 -16.006 0.356 1.00 0.00 H new