USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 874 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 82 THR OG1 : rot -24:sc= 1.32 USER MOD Set 1.2: A 94 LYS NZ :NH3+ -164:sc= 0.989 (180deg=0.514) USER MOD Set 2.1: A 23 TYR OH : rot -100:sc= -0.217 USER MOD Set 2.2: A 45 GLN : amide:sc= 0.533 K(o=0.56,f=1.2) USER MOD Set 2.3: A 66 SER OG : rot -11:sc= 0.247 USER MOD Set 3.1: A 11 GLN : amide:sc= -2.28 K(o=-2.4,f=-4.5!) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 1 TYR N :NH3+ -174:sc= 1.29 (180deg=1.22) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -40:sc= 0.533 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0227 (180deg=-0.263) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.1) USER MOD Single : A 9 ASN : amide:sc= -1.91! C(o=-1.9!,f=-9.8!) USER MOD Single : A 16 ASN : amide:sc= 0.354 X(o=0.35,f=-0.084) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 64:sc= 0.202 USER MOD Single : A 24 MET CE :methyl 142:sc= -0.0116 (180deg=-0.638) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= -0.0139 (180deg=-0.115) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -65:sc= 0.27 USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 1.63 (180deg=1.39) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -1.28 (180deg=-2.81) USER MOD Single : A 43 HIS : no HD1:sc= -0.927 K(o=-0.93,f=-2.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0375 (180deg=-0.319) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0.97 (180deg=0.217) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.19) USER MOD Single : A 73 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.45) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= 1.21 (180deg=1.01) USER MOD Single : A 84 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-3.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 130:sc= -0.0236 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= 1.06 (180deg=0.589) USER MOD Single : A 102 LYS NZ :NH3+ 151:sc= 0.902 (180deg=-0.514!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -19.200 -1.171 0.123 1.00 0.00 N ATOM 2 CA TYR A 1 -20.011 -0.463 1.115 1.00 0.00 C ATOM 3 C TYR A 1 -19.909 -1.111 2.482 1.00 0.00 C ATOM 4 O TYR A 1 -19.981 -0.430 3.493 1.00 0.00 O ATOM 5 CB TYR A 1 -21.451 -0.246 0.651 1.00 0.00 C ATOM 6 CG TYR A 1 -21.546 0.780 -0.466 1.00 0.00 C ATOM 7 CD1 TYR A 1 -21.509 2.141 -0.182 1.00 0.00 C ATOM 8 CD2 TYR A 1 -21.649 0.396 -1.791 1.00 0.00 C ATOM 9 CE1 TYR A 1 -21.566 3.084 -1.189 1.00 0.00 C ATOM 10 CE2 TYR A 1 -21.713 1.335 -2.808 1.00 0.00 C ATOM 11 CZ TYR A 1 -21.669 2.679 -2.500 1.00 0.00 C ATOM 12 OH TYR A 1 -21.713 3.623 -3.509 1.00 0.00 O ATOM 0 H1 TYR A 1 -19.211 -0.645 -0.774 1.00 0.00 H new ATOM 0 H2 TYR A 1 -18.221 -1.249 0.466 1.00 0.00 H new ATOM 0 H3 TYR A 1 -19.590 -2.123 -0.029 1.00 0.00 H new ATOM 0 HA TYR A 1 -19.593 0.538 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -21.867 -1.193 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -22.058 0.082 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -21.434 2.466 0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -21.680 -0.655 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -21.530 4.136 -0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -21.797 1.016 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 1 -21.785 3.172 -4.376 1.00 0.00 H new ATOM 24 N THR A 2 -19.725 -2.407 2.520 1.00 0.00 N ATOM 25 CA THR A 2 -19.381 -3.056 3.735 1.00 0.00 C ATOM 26 C THR A 2 -18.228 -3.999 3.457 1.00 0.00 C ATOM 27 O THR A 2 -18.395 -5.028 2.785 1.00 0.00 O ATOM 28 CB THR A 2 -20.592 -3.767 4.459 1.00 0.00 C ATOM 29 OG1 THR A 2 -20.166 -4.410 5.692 1.00 0.00 O ATOM 30 CG2 THR A 2 -21.311 -4.778 3.563 1.00 0.00 C ATOM 0 H THR A 2 -19.811 -3.025 1.713 1.00 0.00 H new ATOM 0 HA THR A 2 -19.075 -2.295 4.453 1.00 0.00 H new ATOM 0 HB THR A 2 -21.305 -2.977 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.292 -4.832 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 2 -22.133 -5.234 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.703 -4.269 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.610 -5.552 3.252 1.00 0.00 H new ATOM 38 N ASP A 3 -17.028 -3.560 3.864 1.00 0.00 N ATOM 39 CA ASP A 3 -15.784 -4.354 3.772 1.00 0.00 C ATOM 40 C ASP A 3 -15.389 -4.521 2.322 1.00 0.00 C ATOM 41 O ASP A 3 -14.669 -5.466 1.968 1.00 0.00 O ATOM 42 CB ASP A 3 -15.967 -5.754 4.416 1.00 0.00 C ATOM 43 CG ASP A 3 -16.404 -5.727 5.865 1.00 0.00 C ATOM 44 OD1 ASP A 3 -17.629 -5.581 6.140 1.00 0.00 O ATOM 45 OD2 ASP A 3 -15.547 -5.900 6.768 1.00 0.00 O ATOM 0 H ASP A 3 -16.888 -2.635 4.271 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.002 -3.821 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.704 -6.312 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.026 -6.299 4.344 1.00 0.00 H new ATOM 50 N LYS A 4 -15.804 -3.564 1.485 1.00 0.00 N ATOM 51 CA LYS A 4 -15.627 -3.671 0.035 1.00 0.00 C ATOM 52 C LYS A 4 -15.412 -2.326 -0.597 1.00 0.00 C ATOM 53 O LYS A 4 -16.371 -1.584 -0.847 1.00 0.00 O ATOM 54 CB LYS A 4 -16.816 -4.368 -0.647 1.00 0.00 C ATOM 55 CG LYS A 4 -16.971 -5.833 -0.304 1.00 0.00 C ATOM 56 CD LYS A 4 -15.808 -6.664 -0.826 1.00 0.00 C ATOM 57 CE LYS A 4 -15.917 -8.103 -0.367 1.00 0.00 C ATOM 58 NZ LYS A 4 -17.195 -8.718 -0.757 1.00 0.00 N ATOM 0 H LYS A 4 -16.265 -2.706 1.788 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.737 -4.282 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.732 -3.846 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.706 -4.271 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.042 -5.947 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.903 -6.208 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.790 -6.627 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.867 -6.238 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.095 -8.680 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.812 -8.145 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.140 -9.748 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.960 -8.332 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.389 -8.510 -1.757 1.00 0.00 H new ATOM 72 N TYR A 5 -14.144 -2.006 -0.785 1.00 0.00 N ATOM 73 CA TYR A 5 -13.596 -0.793 -1.444 1.00 0.00 C ATOM 74 C TYR A 5 -13.816 0.515 -0.716 1.00 0.00 C ATOM 75 O TYR A 5 -12.908 1.340 -0.649 1.00 0.00 O ATOM 76 CB TYR A 5 -13.829 -0.655 -2.993 1.00 0.00 C ATOM 77 CG TYR A 5 -15.257 -0.850 -3.502 1.00 0.00 C ATOM 78 CD1 TYR A 5 -16.158 0.200 -3.513 1.00 0.00 C ATOM 79 CD2 TYR A 5 -15.697 -2.088 -3.968 1.00 0.00 C ATOM 80 CE1 TYR A 5 -17.450 0.035 -3.965 1.00 0.00 C ATOM 81 CE2 TYR A 5 -16.988 -2.260 -4.421 1.00 0.00 C ATOM 82 CZ TYR A 5 -17.859 -1.195 -4.419 1.00 0.00 C ATOM 83 OH TYR A 5 -19.155 -1.363 -4.868 1.00 0.00 O ATOM 0 H TYR A 5 -13.398 -2.623 -0.463 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.532 -1.011 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -13.493 0.336 -3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -13.188 -1.378 -3.497 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -15.842 1.170 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -15.016 -2.926 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.137 0.868 -3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -17.314 -3.227 -4.776 1.00 0.00 H new ATOM 0 HH TYR A 5 -19.284 -2.291 -5.156 1.00 0.00 H new ATOM 93 N ASP A 6 -14.955 0.633 -0.117 1.00 0.00 N ATOM 94 CA ASP A 6 -15.471 1.804 0.549 1.00 0.00 C ATOM 95 C ASP A 6 -14.474 2.461 1.469 1.00 0.00 C ATOM 96 O ASP A 6 -13.935 3.533 1.174 1.00 0.00 O ATOM 97 CB ASP A 6 -16.756 1.411 1.341 1.00 0.00 C ATOM 98 CG ASP A 6 -16.606 0.114 2.177 1.00 0.00 C ATOM 99 OD1 ASP A 6 -16.018 0.139 3.262 1.00 0.00 O ATOM 100 OD2 ASP A 6 -17.042 -0.951 1.696 1.00 0.00 O ATOM 0 H ASP A 6 -15.610 -0.148 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.700 2.541 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.026 2.231 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.580 1.286 0.639 1.00 0.00 H new ATOM 105 N LYS A 7 -14.103 1.754 2.460 1.00 0.00 N ATOM 106 CA LYS A 7 -13.417 2.321 3.566 1.00 0.00 C ATOM 107 C LYS A 7 -12.835 1.256 4.439 1.00 0.00 C ATOM 108 O LYS A 7 -11.624 1.145 4.535 1.00 0.00 O ATOM 109 CB LYS A 7 -14.366 3.203 4.412 1.00 0.00 C ATOM 110 CG LYS A 7 -13.824 3.551 5.804 1.00 0.00 C ATOM 111 CD LYS A 7 -14.897 4.159 6.689 1.00 0.00 C ATOM 112 CE LYS A 7 -14.472 4.172 8.161 1.00 0.00 C ATOM 113 NZ LYS A 7 -13.232 4.933 8.392 1.00 0.00 N ATOM 0 H LYS A 7 -14.265 0.750 2.535 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.612 2.938 3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.565 4.128 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.320 2.688 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.430 2.651 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.993 4.250 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.106 5.177 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.822 3.593 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.274 4.602 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.332 3.146 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.983 4.894 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.461 4.520 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.375 5.924 8.109 1.00 0.00 H new ATOM 127 N ILE A 8 -13.701 0.423 4.981 1.00 0.00 N ATOM 128 CA ILE A 8 -13.339 -0.526 6.029 1.00 0.00 C ATOM 129 C ILE A 8 -12.623 -1.767 5.515 1.00 0.00 C ATOM 130 O ILE A 8 -12.863 -2.875 5.966 1.00 0.00 O ATOM 131 CB ILE A 8 -14.561 -0.901 6.919 1.00 0.00 C ATOM 132 CG1 ILE A 8 -15.740 -1.382 6.062 1.00 0.00 C ATOM 133 CG2 ILE A 8 -14.964 0.286 7.789 1.00 0.00 C ATOM 134 CD1 ILE A 8 -16.956 -1.818 6.853 1.00 0.00 C ATOM 0 H ILE A 8 -14.683 0.381 4.709 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.614 -0.003 6.653 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.272 -1.724 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.032 -0.579 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -15.407 -2.215 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -15.819 0.011 8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.129 0.567 8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.232 1.129 7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -17.739 -2.142 6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.685 -2.644 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.320 -0.982 7.451 1.00 0.00 H new ATOM 146 N ASN A 9 -11.720 -1.556 4.608 1.00 0.00 N ATOM 147 CA ASN A 9 -10.873 -2.584 4.123 1.00 0.00 C ATOM 148 C ASN A 9 -9.541 -2.010 3.672 1.00 0.00 C ATOM 149 O ASN A 9 -9.507 -0.913 3.096 1.00 0.00 O ATOM 150 CB ASN A 9 -11.509 -3.449 3.006 1.00 0.00 C ATOM 151 CG ASN A 9 -11.820 -2.820 1.665 1.00 0.00 C ATOM 152 OD1 ASN A 9 -12.677 -3.291 0.977 1.00 0.00 O ATOM 153 ND2 ASN A 9 -11.185 -1.764 1.276 1.00 0.00 N ATOM 0 H ASN A 9 -11.553 -0.645 4.181 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.710 -3.260 4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.842 -4.292 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.440 -3.858 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.415 -1.331 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.454 -1.363 1.864 1.00 0.00 H new ATOM 160 N LEU A 10 -8.469 -2.671 4.011 1.00 0.00 N ATOM 161 CA LEU A 10 -7.149 -2.357 3.537 1.00 0.00 C ATOM 162 C LEU A 10 -6.555 -3.640 2.997 1.00 0.00 C ATOM 163 O LEU A 10 -6.376 -3.835 1.790 1.00 0.00 O ATOM 164 CB LEU A 10 -6.221 -1.754 4.646 1.00 0.00 C ATOM 165 CG LEU A 10 -6.623 -0.396 5.288 1.00 0.00 C ATOM 166 CD1 LEU A 10 -6.885 0.653 4.245 1.00 0.00 C ATOM 167 CD2 LEU A 10 -7.789 -0.516 6.265 1.00 0.00 C ATOM 0 H LEU A 10 -8.491 -3.469 4.646 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.224 -1.588 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.140 -2.489 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.225 -1.637 4.218 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.764 -0.076 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.163 1.588 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.985 0.807 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.697 0.326 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.020 0.466 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.663 -0.905 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.518 -1.195 7.073 1.00 0.00 H new ATOM 179 N GLN A 11 -6.371 -4.559 3.917 1.00 0.00 N ATOM 180 CA GLN A 11 -5.741 -5.823 3.672 1.00 0.00 C ATOM 181 C GLN A 11 -6.602 -6.758 2.837 1.00 0.00 C ATOM 182 O GLN A 11 -6.080 -7.539 2.046 1.00 0.00 O ATOM 183 CB GLN A 11 -5.389 -6.482 5.014 1.00 0.00 C ATOM 184 CG GLN A 11 -4.687 -7.824 4.887 1.00 0.00 C ATOM 185 CD GLN A 11 -3.392 -7.742 4.105 1.00 0.00 C ATOM 186 OE1 GLN A 11 -3.008 -8.686 3.446 1.00 0.00 O ATOM 187 NE2 GLN A 11 -2.708 -6.630 4.205 1.00 0.00 N ATOM 0 H GLN A 11 -6.667 -4.437 4.885 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.836 -5.634 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.752 -5.804 5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.304 -6.617 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.480 -8.215 5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.356 -8.533 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.066 -5.860 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.817 -6.534 3.718 1.00 0.00 H new ATOM 196 N GLU A 12 -7.914 -6.647 2.937 1.00 0.00 N ATOM 197 CA GLU A 12 -8.758 -7.617 2.279 1.00 0.00 C ATOM 198 C GLU A 12 -8.904 -7.314 0.816 1.00 0.00 C ATOM 199 O GLU A 12 -9.359 -8.128 0.023 1.00 0.00 O ATOM 200 CB GLU A 12 -10.079 -7.954 3.039 1.00 0.00 C ATOM 201 CG GLU A 12 -10.807 -6.800 3.723 1.00 0.00 C ATOM 202 CD GLU A 12 -10.034 -6.200 4.903 1.00 0.00 C ATOM 203 OE1 GLU A 12 -10.130 -6.725 6.034 1.00 0.00 O ATOM 204 OE2 GLU A 12 -9.298 -5.208 4.711 1.00 0.00 O ATOM 0 H GLU A 12 -8.404 -5.916 3.453 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.236 -8.573 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.768 -8.415 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.851 -8.705 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.999 -6.017 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.777 -7.151 4.076 1.00 0.00 H new ATOM 211 N ILE A 13 -8.440 -6.148 0.470 1.00 0.00 N ATOM 212 CA ILE A 13 -8.309 -5.749 -0.882 1.00 0.00 C ATOM 213 C ILE A 13 -7.012 -6.310 -1.411 1.00 0.00 C ATOM 214 O ILE A 13 -6.990 -7.037 -2.383 1.00 0.00 O ATOM 215 CB ILE A 13 -8.270 -4.215 -0.999 1.00 0.00 C ATOM 216 CG1 ILE A 13 -9.617 -3.605 -0.706 1.00 0.00 C ATOM 217 CG2 ILE A 13 -7.777 -3.774 -2.338 1.00 0.00 C ATOM 218 CD1 ILE A 13 -10.738 -4.162 -1.531 1.00 0.00 C ATOM 0 H ILE A 13 -8.139 -5.441 1.141 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.162 -6.118 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.564 -3.859 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.849 -3.754 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.559 -2.529 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.764 -2.685 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.768 -4.155 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.438 -4.160 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.671 -3.669 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.533 -3.989 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.827 -5.233 -1.349 1.00 0.00 H new ATOM 230 N LEU A 14 -5.944 -5.989 -0.702 1.00 0.00 N ATOM 231 CA LEU A 14 -4.593 -6.369 -1.054 1.00 0.00 C ATOM 232 C LEU A 14 -4.426 -7.876 -1.235 1.00 0.00 C ATOM 233 O LEU A 14 -3.647 -8.339 -2.080 1.00 0.00 O ATOM 234 CB LEU A 14 -3.656 -5.869 0.026 1.00 0.00 C ATOM 235 CG LEU A 14 -2.183 -6.098 -0.215 1.00 0.00 C ATOM 236 CD1 LEU A 14 -1.735 -5.368 -1.470 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.403 -5.645 0.991 1.00 0.00 C ATOM 0 H LEU A 14 -5.997 -5.442 0.157 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.357 -5.916 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.820 -4.799 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.929 -6.349 0.966 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.998 -7.161 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.671 -5.542 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.298 -5.739 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.914 -4.299 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.339 -5.809 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.583 -4.584 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.721 -6.213 1.865 1.00 0.00 H new ATOM 249 N GLU A 15 -5.152 -8.625 -0.450 1.00 0.00 N ATOM 250 CA GLU A 15 -5.065 -10.053 -0.481 1.00 0.00 C ATOM 251 C GLU A 15 -5.712 -10.650 -1.750 1.00 0.00 C ATOM 252 O GLU A 15 -5.326 -11.731 -2.201 1.00 0.00 O ATOM 253 CB GLU A 15 -5.666 -10.635 0.809 1.00 0.00 C ATOM 254 CG GLU A 15 -5.453 -12.126 0.998 1.00 0.00 C ATOM 255 CD GLU A 15 -5.960 -12.614 2.326 1.00 0.00 C ATOM 256 OE1 GLU A 15 -5.241 -12.469 3.338 1.00 0.00 O ATOM 257 OE2 GLU A 15 -7.092 -13.140 2.391 1.00 0.00 O ATOM 0 H GLU A 15 -5.820 -8.259 0.228 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.013 -10.334 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.235 -10.110 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.737 -10.432 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.959 -12.667 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.390 -12.352 0.913 1.00 0.00 H new ATOM 264 N ASN A 16 -6.620 -9.927 -2.376 1.00 0.00 N ATOM 265 CA ASN A 16 -7.365 -10.482 -3.506 1.00 0.00 C ATOM 266 C ASN A 16 -7.267 -9.563 -4.702 1.00 0.00 C ATOM 267 O ASN A 16 -7.757 -8.457 -4.648 1.00 0.00 O ATOM 268 CB ASN A 16 -8.851 -10.650 -3.153 1.00 0.00 C ATOM 269 CG ASN A 16 -9.105 -11.479 -1.917 1.00 0.00 C ATOM 270 OD1 ASN A 16 -9.217 -12.696 -1.988 1.00 0.00 O ATOM 271 ND2 ASN A 16 -9.279 -10.824 -0.798 1.00 0.00 N ATOM 0 H ASN A 16 -6.863 -8.967 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.930 -11.454 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.293 -9.664 -3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.363 -11.111 -3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.517 -11.328 0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.177 -9.809 -0.780 1.00 0.00 H new ATOM 278 N LYS A 17 -6.692 -10.046 -5.807 1.00 0.00 N ATOM 279 CA LYS A 17 -6.493 -9.203 -7.005 1.00 0.00 C ATOM 280 C LYS A 17 -7.780 -8.523 -7.514 1.00 0.00 C ATOM 281 O LYS A 17 -7.744 -7.361 -7.886 1.00 0.00 O ATOM 282 CB LYS A 17 -5.721 -9.899 -8.172 1.00 0.00 C ATOM 283 CG LYS A 17 -6.359 -11.146 -8.802 1.00 0.00 C ATOM 284 CD LYS A 17 -6.219 -12.389 -7.935 1.00 0.00 C ATOM 285 CE LYS A 17 -6.823 -13.619 -8.606 1.00 0.00 C ATOM 286 NZ LYS A 17 -6.633 -14.850 -7.798 1.00 0.00 N ATOM 0 H LYS A 17 -6.357 -11.005 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.839 -8.412 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.571 -9.163 -8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.734 -10.177 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.416 -10.954 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.898 -11.333 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.165 -12.570 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.709 -12.220 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.888 -13.455 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.367 -13.756 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.059 -15.659 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.616 -15.023 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.090 -14.731 -6.871 1.00 0.00 H new ATOM 300 N ARG A 18 -8.922 -9.218 -7.480 1.00 0.00 N ATOM 301 CA ARG A 18 -10.182 -8.600 -7.935 1.00 0.00 C ATOM 302 C ARG A 18 -10.580 -7.444 -6.995 1.00 0.00 C ATOM 303 O ARG A 18 -11.031 -6.363 -7.426 1.00 0.00 O ATOM 304 CB ARG A 18 -11.329 -9.640 -8.044 1.00 0.00 C ATOM 305 CG ARG A 18 -11.728 -10.295 -6.726 1.00 0.00 C ATOM 306 CD ARG A 18 -12.856 -11.293 -6.905 1.00 0.00 C ATOM 307 NE ARG A 18 -13.174 -11.980 -5.642 1.00 0.00 N ATOM 308 CZ ARG A 18 -14.397 -12.382 -5.256 1.00 0.00 C ATOM 309 NH1 ARG A 18 -15.474 -12.078 -5.978 1.00 0.00 N ATOM 310 NH2 ARG A 18 -14.535 -13.069 -4.132 1.00 0.00 N ATOM 0 H ARG A 18 -9.006 -10.181 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.013 -8.200 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.205 -9.150 -8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.028 -10.419 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.863 -10.799 -6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.034 -9.526 -6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.743 -10.779 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.577 -12.028 -7.660 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.399 -12.167 -5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.376 -11.534 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.396 -12.389 -5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.716 -13.290 -3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.460 -13.377 -3.833 1.00 0.00 H new ATOM 324 N LEU A 19 -10.344 -7.644 -5.724 1.00 0.00 N ATOM 325 CA LEU A 19 -10.686 -6.657 -4.751 1.00 0.00 C ATOM 326 C LEU A 19 -9.673 -5.528 -4.792 1.00 0.00 C ATOM 327 O LEU A 19 -9.984 -4.389 -4.467 1.00 0.00 O ATOM 328 CB LEU A 19 -10.826 -7.270 -3.354 1.00 0.00 C ATOM 329 CG LEU A 19 -11.932 -8.337 -3.194 1.00 0.00 C ATOM 330 CD1 LEU A 19 -12.020 -8.813 -1.756 1.00 0.00 C ATOM 331 CD2 LEU A 19 -13.285 -7.802 -3.655 1.00 0.00 C ATOM 0 H LEU A 19 -9.914 -8.488 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.663 -6.241 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.872 -7.719 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.018 -6.466 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.666 -9.184 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.806 -9.564 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.067 -9.249 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.251 -7.969 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.043 -8.575 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.554 -6.930 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.225 -7.518 -4.706 1.00 0.00 H new ATOM 343 N LEU A 20 -8.483 -5.845 -5.264 1.00 0.00 N ATOM 344 CA LEU A 20 -7.416 -4.886 -5.396 1.00 0.00 C ATOM 345 C LEU A 20 -7.817 -3.868 -6.423 1.00 0.00 C ATOM 346 O LEU A 20 -7.715 -2.658 -6.201 1.00 0.00 O ATOM 347 CB LEU A 20 -6.128 -5.588 -5.791 1.00 0.00 C ATOM 348 CG LEU A 20 -4.863 -4.756 -5.718 1.00 0.00 C ATOM 349 CD1 LEU A 20 -4.648 -4.273 -4.298 1.00 0.00 C ATOM 350 CD2 LEU A 20 -3.693 -5.588 -6.159 1.00 0.00 C ATOM 0 H LEU A 20 -8.232 -6.786 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.238 -4.385 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.002 -6.460 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.237 -5.956 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.958 -3.891 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.738 -3.676 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.498 -3.665 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.554 -5.131 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.782 -4.991 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.596 -6.455 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.850 -5.922 -7.185 1.00 0.00 H new ATOM 362 N GLU A 21 -8.351 -4.381 -7.507 1.00 0.00 N ATOM 363 CA GLU A 21 -8.899 -3.593 -8.580 1.00 0.00 C ATOM 364 C GLU A 21 -10.025 -2.686 -8.048 1.00 0.00 C ATOM 365 O GLU A 21 -10.210 -1.553 -8.525 1.00 0.00 O ATOM 366 CB GLU A 21 -9.449 -4.541 -9.636 1.00 0.00 C ATOM 367 CG GLU A 21 -8.403 -5.446 -10.275 1.00 0.00 C ATOM 368 CD GLU A 21 -7.432 -4.712 -11.165 1.00 0.00 C ATOM 369 OE1 GLU A 21 -6.430 -4.164 -10.677 1.00 0.00 O ATOM 370 OE2 GLU A 21 -7.659 -4.701 -12.406 1.00 0.00 O ATOM 0 H GLU A 21 -8.417 -5.386 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.124 -2.960 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.221 -5.162 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.931 -3.954 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.847 -5.957 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.908 -6.215 -10.859 1.00 0.00 H new ATOM 377 N SER A 22 -10.749 -3.178 -7.042 1.00 0.00 N ATOM 378 CA SER A 22 -11.831 -2.432 -6.443 1.00 0.00 C ATOM 379 C SER A 22 -11.360 -1.138 -5.702 1.00 0.00 C ATOM 380 O SER A 22 -11.740 -0.028 -6.108 1.00 0.00 O ATOM 381 CB SER A 22 -12.641 -3.339 -5.537 1.00 0.00 C ATOM 382 OG SER A 22 -13.055 -4.496 -6.250 1.00 0.00 O ATOM 0 H SER A 22 -10.596 -4.098 -6.630 1.00 0.00 H new ATOM 0 HA SER A 22 -12.468 -2.078 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.044 -3.629 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.512 -2.804 -5.158 1.00 0.00 H new ATOM 0 HG SER A 22 -12.267 -5.012 -6.522 1.00 0.00 H new ATOM 388 N TYR A 23 -10.507 -1.239 -4.640 1.00 0.00 N ATOM 389 CA TYR A 23 -10.130 0.011 -3.944 1.00 0.00 C ATOM 390 C TYR A 23 -8.909 0.678 -4.564 1.00 0.00 C ATOM 391 O TYR A 23 -8.358 1.669 -4.044 1.00 0.00 O ATOM 392 CB TYR A 23 -10.128 -0.033 -2.355 1.00 0.00 C ATOM 393 CG TYR A 23 -8.840 -0.270 -1.547 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.584 -0.544 -2.094 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.923 -0.176 -0.191 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.476 -0.718 -1.272 1.00 0.00 C ATOM 397 CE2 TYR A 23 -7.847 -0.343 0.620 1.00 0.00 C ATOM 398 CZ TYR A 23 -6.632 -0.609 0.093 1.00 0.00 C ATOM 399 OH TYR A 23 -5.577 -0.785 0.933 1.00 0.00 O ATOM 0 H TYR A 23 -10.100 -2.101 -4.276 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.971 0.678 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.543 0.915 -2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.831 -0.812 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.473 -0.621 -3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.882 0.040 0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.507 -0.935 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.963 -0.263 1.691 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.609 -1.688 1.313 1.00 0.00 H new ATOM 409 N MET A 24 -8.527 0.177 -5.720 1.00 0.00 N ATOM 410 CA MET A 24 -7.487 0.779 -6.533 1.00 0.00 C ATOM 411 C MET A 24 -7.848 2.257 -6.823 1.00 0.00 C ATOM 412 O MET A 24 -7.026 3.028 -7.245 1.00 0.00 O ATOM 413 CB MET A 24 -7.239 -0.024 -7.813 1.00 0.00 C ATOM 414 CG MET A 24 -5.911 0.283 -8.497 1.00 0.00 C ATOM 415 SD MET A 24 -4.492 0.027 -7.407 1.00 0.00 S ATOM 416 CE MET A 24 -3.131 0.272 -8.553 1.00 0.00 C ATOM 0 H MET A 24 -8.932 -0.666 -6.127 1.00 0.00 H new ATOM 0 HA MET A 24 -6.547 0.761 -5.981 1.00 0.00 H new ATOM 0 HB2 MET A 24 -7.274 -1.087 -7.574 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.050 0.172 -8.514 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.806 -0.349 -9.379 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.916 1.316 -8.844 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.322 0.801 -8.049 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.770 -0.696 -8.902 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.474 0.860 -9.404 1.00 0.00 H new ATOM 426 N ASP A 25 -9.133 2.597 -6.680 1.00 0.00 N ATOM 427 CA ASP A 25 -9.600 3.996 -6.736 1.00 0.00 C ATOM 428 C ASP A 25 -8.920 4.873 -5.721 1.00 0.00 C ATOM 429 O ASP A 25 -8.430 5.925 -6.041 1.00 0.00 O ATOM 430 CB ASP A 25 -11.067 4.095 -6.485 1.00 0.00 C ATOM 431 CG ASP A 25 -11.520 5.530 -6.272 1.00 0.00 C ATOM 432 OD1 ASP A 25 -11.302 6.387 -7.148 1.00 0.00 O ATOM 433 OD2 ASP A 25 -12.047 5.824 -5.202 1.00 0.00 O ATOM 0 H ASP A 25 -9.879 1.919 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.355 4.337 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.608 3.667 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.324 3.501 -5.608 1.00 0.00 H new ATOM 438 N CYS A 26 -8.916 4.465 -4.514 1.00 0.00 N ATOM 439 CA CYS A 26 -8.330 5.272 -3.513 1.00 0.00 C ATOM 440 C CYS A 26 -6.819 5.245 -3.569 1.00 0.00 C ATOM 441 O CYS A 26 -6.162 6.210 -3.176 1.00 0.00 O ATOM 442 CB CYS A 26 -8.950 5.028 -2.138 1.00 0.00 C ATOM 443 SG CYS A 26 -9.491 3.312 -1.843 1.00 0.00 S ATOM 0 H CYS A 26 -9.309 3.581 -4.192 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.578 6.311 -3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -8.224 5.303 -1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -9.807 5.691 -2.017 1.00 0.00 H new ATOM 448 N VAL A 27 -6.251 4.154 -4.068 1.00 0.00 N ATOM 449 CA VAL A 27 -4.815 4.134 -4.242 1.00 0.00 C ATOM 450 C VAL A 27 -4.373 4.866 -5.551 1.00 0.00 C ATOM 451 O VAL A 27 -3.598 5.801 -5.493 1.00 0.00 O ATOM 452 CB VAL A 27 -4.263 2.679 -4.239 1.00 0.00 C ATOM 453 CG1 VAL A 27 -2.744 2.657 -4.405 1.00 0.00 C ATOM 454 CG2 VAL A 27 -4.662 1.963 -2.958 1.00 0.00 C ATOM 0 H VAL A 27 -6.744 3.306 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.393 4.672 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.701 2.156 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.392 1.625 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.475 3.126 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.280 3.204 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.268 0.947 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.255 2.498 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.749 1.930 -2.883 1.00 0.00 H new ATOM 464 N LEU A 28 -4.886 4.448 -6.713 1.00 0.00 N ATOM 465 CA LEU A 28 -4.493 5.066 -7.989 1.00 0.00 C ATOM 466 C LEU A 28 -5.591 5.984 -8.577 1.00 0.00 C ATOM 467 O LEU A 28 -5.300 7.017 -9.197 1.00 0.00 O ATOM 468 CB LEU A 28 -4.125 3.979 -8.998 1.00 0.00 C ATOM 469 CG LEU A 28 -3.458 4.451 -10.289 1.00 0.00 C ATOM 470 CD1 LEU A 28 -2.062 5.001 -10.003 1.00 0.00 C ATOM 471 CD2 LEU A 28 -3.397 3.323 -11.297 1.00 0.00 C ATOM 0 H LEU A 28 -5.567 3.693 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.629 5.698 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.458 3.269 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.032 3.435 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.058 5.256 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.603 5.332 -10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.137 5.844 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.448 4.220 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.919 3.677 -12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.821 2.496 -10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.407 2.983 -11.524 1.00 0.00 H new ATOM 483 N GLY A 29 -6.844 5.593 -8.377 1.00 0.00 N ATOM 484 CA GLY A 29 -7.979 6.352 -8.916 1.00 0.00 C ATOM 485 C GLY A 29 -8.844 5.558 -9.899 1.00 0.00 C ATOM 486 O GLY A 29 -9.454 6.138 -10.798 1.00 0.00 O ATOM 0 H GLY A 29 -7.105 4.760 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.603 6.690 -8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.602 7.244 -9.417 1.00 0.00 H new ATOM 490 N LYS A 30 -8.917 4.238 -9.726 1.00 0.00 N ATOM 491 CA LYS A 30 -9.668 3.388 -10.658 1.00 0.00 C ATOM 492 C LYS A 30 -11.183 3.213 -10.337 1.00 0.00 C ATOM 493 O LYS A 30 -12.032 3.704 -11.080 1.00 0.00 O ATOM 494 CB LYS A 30 -8.995 2.030 -10.825 1.00 0.00 C ATOM 495 CG LYS A 30 -7.580 2.108 -11.370 1.00 0.00 C ATOM 496 CD LYS A 30 -7.042 0.732 -11.767 1.00 0.00 C ATOM 497 CE LYS A 30 -7.799 0.120 -12.952 1.00 0.00 C ATOM 498 NZ LYS A 30 -7.680 0.931 -14.189 1.00 0.00 N ATOM 0 H LYS A 30 -8.471 3.736 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.643 3.934 -11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.975 1.524 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.598 1.416 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.561 2.768 -12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.926 2.550 -10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.986 0.819 -12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.109 0.060 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.418 -0.883 -13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.852 0.016 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.062 0.395 -14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.215 1.816 -14.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.679 1.152 -14.364 1.00 0.00 H new ATOM 512 N GLY A 31 -11.505 2.492 -9.258 1.00 0.00 N ATOM 513 CA GLY A 31 -12.923 2.185 -8.928 1.00 0.00 C ATOM 514 C GLY A 31 -13.629 3.322 -8.195 1.00 0.00 C ATOM 515 O GLY A 31 -13.750 4.426 -8.737 1.00 0.00 O ATOM 0 H GLY A 31 -10.825 2.110 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.464 1.963 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.960 1.286 -8.312 1.00 0.00 H new ATOM 519 N LYS A 32 -14.081 3.067 -6.950 1.00 0.00 N ATOM 520 CA LYS A 32 -14.690 4.114 -6.122 1.00 0.00 C ATOM 521 C LYS A 32 -14.749 3.773 -4.619 1.00 0.00 C ATOM 522 O LYS A 32 -15.574 2.995 -4.171 1.00 0.00 O ATOM 523 CB LYS A 32 -16.073 4.553 -6.635 1.00 0.00 C ATOM 524 CG LYS A 32 -17.108 3.443 -6.750 1.00 0.00 C ATOM 525 CD LYS A 32 -18.448 3.991 -7.183 1.00 0.00 C ATOM 526 CE LYS A 32 -19.078 4.890 -6.121 1.00 0.00 C ATOM 527 NZ LYS A 32 -20.357 5.463 -6.578 1.00 0.00 N ATOM 0 H LYS A 32 -14.034 2.151 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 32 -14.010 4.960 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.462 5.322 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.949 5.014 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.767 2.697 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.212 2.937 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.326 4.556 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.123 3.163 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.242 4.316 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.388 5.695 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -20.754 6.067 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -20.197 6.032 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.024 4.695 -6.793 1.00 0.00 H new ATOM 541 N CYS A 33 -13.834 4.322 -3.882 1.00 0.00 N ATOM 542 CA CYS A 33 -13.842 4.258 -2.421 1.00 0.00 C ATOM 543 C CYS A 33 -14.488 5.571 -1.927 1.00 0.00 C ATOM 544 O CYS A 33 -14.764 6.459 -2.747 1.00 0.00 O ATOM 545 CB CYS A 33 -12.401 4.197 -1.883 1.00 0.00 C ATOM 546 SG CYS A 33 -11.267 3.135 -2.832 1.00 0.00 S ATOM 0 H CYS A 33 -13.042 4.838 -4.266 1.00 0.00 H new ATOM 0 HA CYS A 33 -14.383 3.375 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.995 5.208 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.429 3.843 -0.853 1.00 0.00 H new ATOM 551 N THR A 34 -14.706 5.722 -0.633 1.00 0.00 N ATOM 552 CA THR A 34 -15.261 6.955 -0.114 1.00 0.00 C ATOM 553 C THR A 34 -14.120 7.976 0.120 1.00 0.00 C ATOM 554 O THR A 34 -12.946 7.573 0.166 1.00 0.00 O ATOM 555 CB THR A 34 -16.036 6.684 1.202 1.00 0.00 C ATOM 556 OG1 THR A 34 -15.180 6.048 2.172 1.00 0.00 O ATOM 557 CG2 THR A 34 -17.247 5.794 0.941 1.00 0.00 C ATOM 0 H THR A 34 -14.508 5.011 0.071 1.00 0.00 H new ATOM 0 HA THR A 34 -15.962 7.370 -0.839 1.00 0.00 H new ATOM 0 HB THR A 34 -16.374 7.643 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 34 -14.918 5.162 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.776 5.616 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.915 6.286 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.916 4.842 0.525 1.00 0.00 H new ATOM 565 N PRO A 35 -14.426 9.303 0.227 1.00 0.00 N ATOM 566 CA PRO A 35 -13.413 10.359 0.484 1.00 0.00 C ATOM 567 C PRO A 35 -12.526 10.080 1.709 1.00 0.00 C ATOM 568 O PRO A 35 -11.303 10.308 1.675 1.00 0.00 O ATOM 569 CB PRO A 35 -14.246 11.631 0.713 1.00 0.00 C ATOM 570 CG PRO A 35 -15.659 11.172 0.814 1.00 0.00 C ATOM 571 CD PRO A 35 -15.755 9.893 0.043 1.00 0.00 C ATOM 0 HA PRO A 35 -12.715 10.429 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.935 12.145 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.120 12.335 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -15.942 11.018 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.339 11.921 0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.542 9.246 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.977 10.071 -1.009 1.00 0.00 H new ATOM 579 N GLU A 36 -13.122 9.583 2.779 1.00 0.00 N ATOM 580 CA GLU A 36 -12.359 9.250 3.970 1.00 0.00 C ATOM 581 C GLU A 36 -11.418 8.095 3.649 1.00 0.00 C ATOM 582 O GLU A 36 -10.249 8.092 4.046 1.00 0.00 O ATOM 583 CB GLU A 36 -13.291 8.903 5.125 1.00 0.00 C ATOM 584 CG GLU A 36 -12.586 8.588 6.428 1.00 0.00 C ATOM 585 CD GLU A 36 -13.559 8.313 7.532 1.00 0.00 C ATOM 586 OE1 GLU A 36 -14.150 7.238 7.555 1.00 0.00 O ATOM 587 OE2 GLU A 36 -13.750 9.166 8.404 1.00 0.00 O ATOM 0 H GLU A 36 -14.123 9.402 2.848 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.768 10.112 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.973 9.737 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.899 8.045 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.937 7.723 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.946 9.425 6.707 1.00 0.00 H new ATOM 594 N GLY A 37 -11.925 7.156 2.854 1.00 0.00 N ATOM 595 CA GLY A 37 -11.132 6.046 2.396 1.00 0.00 C ATOM 596 C GLY A 37 -9.983 6.529 1.533 1.00 0.00 C ATOM 597 O GLY A 37 -8.880 6.029 1.645 1.00 0.00 O ATOM 0 H GLY A 37 -12.888 7.153 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.744 5.493 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.756 5.357 1.827 1.00 0.00 H new ATOM 601 N LYS A 38 -10.268 7.517 0.684 1.00 0.00 N ATOM 602 CA LYS A 38 -9.266 8.176 -0.173 1.00 0.00 C ATOM 603 C LYS A 38 -8.078 8.657 0.636 1.00 0.00 C ATOM 604 O LYS A 38 -6.961 8.414 0.270 1.00 0.00 O ATOM 605 CB LYS A 38 -9.883 9.390 -0.906 1.00 0.00 C ATOM 606 CG LYS A 38 -10.733 9.081 -2.130 1.00 0.00 C ATOM 607 CD LYS A 38 -9.859 8.819 -3.350 1.00 0.00 C ATOM 608 CE LYS A 38 -10.699 8.525 -4.583 1.00 0.00 C ATOM 609 NZ LYS A 38 -9.884 8.352 -5.809 1.00 0.00 N ATOM 0 H LYS A 38 -11.210 7.891 0.566 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.932 7.434 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.497 9.943 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.073 10.053 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.358 8.210 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.404 9.916 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.225 9.686 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.196 7.977 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.284 7.621 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.408 9.339 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.448 7.865 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.591 9.284 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.040 7.785 -5.588 1.00 0.00 H new ATOM 623 N GLU A 39 -8.348 9.251 1.775 1.00 0.00 N ATOM 624 CA GLU A 39 -7.319 9.888 2.565 1.00 0.00 C ATOM 625 C GLU A 39 -6.531 8.817 3.299 1.00 0.00 C ATOM 626 O GLU A 39 -5.293 8.743 3.210 1.00 0.00 O ATOM 627 CB GLU A 39 -7.989 10.807 3.575 1.00 0.00 C ATOM 628 CG GLU A 39 -7.046 11.685 4.363 1.00 0.00 C ATOM 629 CD GLU A 39 -6.372 12.722 3.508 1.00 0.00 C ATOM 630 OE1 GLU A 39 -5.382 12.413 2.841 1.00 0.00 O ATOM 631 OE2 GLU A 39 -6.820 13.887 3.499 1.00 0.00 O ATOM 0 H GLU A 39 -9.283 9.307 2.179 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.647 10.463 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.700 11.444 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.563 10.198 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.598 12.181 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.288 11.063 4.839 1.00 0.00 H new ATOM 638 N LEU A 40 -7.284 7.971 3.982 1.00 0.00 N ATOM 639 CA LEU A 40 -6.769 6.874 4.768 1.00 0.00 C ATOM 640 C LEU A 40 -5.818 5.982 3.958 1.00 0.00 C ATOM 641 O LEU A 40 -4.646 5.823 4.300 1.00 0.00 O ATOM 642 CB LEU A 40 -7.977 6.039 5.241 1.00 0.00 C ATOM 643 CG LEU A 40 -7.677 4.614 5.665 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.889 4.545 6.969 1.00 0.00 C ATOM 645 CD2 LEU A 40 -8.929 3.749 5.698 1.00 0.00 C ATOM 0 H LEU A 40 -8.302 8.035 4.002 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.199 7.272 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.444 6.556 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.711 6.010 4.436 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.028 4.194 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.702 3.502 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.939 5.065 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.463 5.018 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.665 2.738 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.643 4.170 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.377 3.719 4.705 1.00 0.00 H new ATOM 657 N LYS A 41 -6.311 5.483 2.857 1.00 0.00 N ATOM 658 CA LYS A 41 -5.603 4.499 2.064 1.00 0.00 C ATOM 659 C LYS A 41 -4.479 5.097 1.277 1.00 0.00 C ATOM 660 O LYS A 41 -3.451 4.449 1.074 1.00 0.00 O ATOM 661 CB LYS A 41 -6.591 3.796 1.184 1.00 0.00 C ATOM 662 CG LYS A 41 -7.619 3.065 2.003 1.00 0.00 C ATOM 663 CD LYS A 41 -8.895 2.900 1.252 1.00 0.00 C ATOM 664 CE LYS A 41 -9.949 2.225 2.073 1.00 0.00 C ATOM 665 NZ LYS A 41 -11.215 2.120 1.324 1.00 0.00 N ATOM 0 H LYS A 41 -7.221 5.746 2.477 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.133 3.778 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.085 4.520 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.069 3.092 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.232 2.086 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.807 3.612 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.256 3.878 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.711 2.317 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.609 1.230 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.112 2.785 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.764 1.312 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.765 2.994 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.010 1.979 0.314 1.00 0.00 H new ATOM 679 N ASP A 42 -4.653 6.341 0.862 1.00 0.00 N ATOM 680 CA ASP A 42 -3.619 7.038 0.122 1.00 0.00 C ATOM 681 C ASP A 42 -2.374 7.145 0.951 1.00 0.00 C ATOM 682 O ASP A 42 -1.298 6.837 0.486 1.00 0.00 O ATOM 683 CB ASP A 42 -4.077 8.433 -0.301 1.00 0.00 C ATOM 684 CG ASP A 42 -2.976 9.233 -0.963 1.00 0.00 C ATOM 685 OD1 ASP A 42 -2.705 9.022 -2.167 1.00 0.00 O ATOM 686 OD2 ASP A 42 -2.374 10.098 -0.304 1.00 0.00 O ATOM 0 H ASP A 42 -5.499 6.886 1.025 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.410 6.461 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.918 8.342 -0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.438 8.974 0.574 1.00 0.00 H new ATOM 691 N HIS A 43 -2.551 7.518 2.208 1.00 0.00 N ATOM 692 CA HIS A 43 -1.433 7.709 3.128 1.00 0.00 C ATOM 693 C HIS A 43 -0.915 6.380 3.661 1.00 0.00 C ATOM 694 O HIS A 43 0.262 6.254 3.982 1.00 0.00 O ATOM 695 CB HIS A 43 -1.823 8.613 4.306 1.00 0.00 C ATOM 696 CG HIS A 43 -2.104 10.043 3.955 1.00 0.00 C ATOM 697 ND1 HIS A 43 -1.722 11.094 4.749 1.00 0.00 N ATOM 698 CD2 HIS A 43 -2.787 10.587 2.928 1.00 0.00 C ATOM 699 CE1 HIS A 43 -2.158 12.214 4.223 1.00 0.00 C ATOM 700 NE2 HIS A 43 -2.812 11.933 3.119 1.00 0.00 N ATOM 0 H HIS A 43 -3.466 7.697 2.621 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.640 8.193 2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.707 8.194 4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.019 8.589 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.233 10.051 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.005 13.203 4.630 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.264 12.612 2.506 1.00 0.00 H new ATOM 709 N LEU A 44 -1.791 5.404 3.748 1.00 0.00 N ATOM 710 CA LEU A 44 -1.446 4.087 4.268 1.00 0.00 C ATOM 711 C LEU A 44 -0.578 3.315 3.257 1.00 0.00 C ATOM 712 O LEU A 44 0.547 2.879 3.580 1.00 0.00 O ATOM 713 CB LEU A 44 -2.747 3.351 4.653 1.00 0.00 C ATOM 714 CG LEU A 44 -2.647 2.020 5.402 1.00 0.00 C ATOM 715 CD1 LEU A 44 -3.953 1.774 6.126 1.00 0.00 C ATOM 716 CD2 LEU A 44 -2.393 0.867 4.444 1.00 0.00 C ATOM 0 H LEU A 44 -2.766 5.495 3.461 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.838 4.175 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.342 4.030 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.309 3.172 3.736 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.814 2.076 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.898 0.828 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.136 2.584 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.768 1.732 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.327 -0.065 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.212 0.802 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.458 1.036 3.911 1.00 0.00 H new ATOM 728 N GLN A 45 -1.052 3.169 2.031 1.00 0.00 N ATOM 729 CA GLN A 45 -0.225 2.540 1.024 1.00 0.00 C ATOM 730 C GLN A 45 0.993 3.423 0.661 1.00 0.00 C ATOM 731 O GLN A 45 2.030 2.915 0.253 1.00 0.00 O ATOM 732 CB GLN A 45 -1.002 2.028 -0.212 1.00 0.00 C ATOM 733 CG GLN A 45 -1.551 0.571 -0.098 1.00 0.00 C ATOM 734 CD GLN A 45 -2.731 0.352 0.870 1.00 0.00 C ATOM 735 OE1 GLN A 45 -3.549 1.237 1.087 1.00 0.00 O ATOM 736 NE2 GLN A 45 -2.840 -0.871 1.431 1.00 0.00 N ATOM 0 H GLN A 45 -1.976 3.468 1.718 1.00 0.00 H new ATOM 0 HA GLN A 45 0.162 1.629 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.839 2.701 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.347 2.085 -1.082 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.860 0.245 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.732 -0.079 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.143 -1.588 1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.620 -1.078 2.055 1.00 0.00 H new ATOM 745 N GLU A 46 0.862 4.750 0.854 1.00 0.00 N ATOM 746 CA GLU A 46 2.001 5.685 0.703 1.00 0.00 C ATOM 747 C GLU A 46 3.081 5.303 1.715 1.00 0.00 C ATOM 748 O GLU A 46 4.272 5.277 1.403 1.00 0.00 O ATOM 749 CB GLU A 46 1.563 7.117 1.032 1.00 0.00 C ATOM 750 CG GLU A 46 2.610 8.193 0.803 1.00 0.00 C ATOM 751 CD GLU A 46 2.814 8.501 -0.654 1.00 0.00 C ATOM 752 OE1 GLU A 46 2.087 9.380 -1.193 1.00 0.00 O ATOM 753 OE2 GLU A 46 3.678 7.885 -1.289 1.00 0.00 O ATOM 0 H GLU A 46 -0.016 5.200 1.114 1.00 0.00 H new ATOM 0 HA GLU A 46 2.366 5.630 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.685 7.356 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.254 7.152 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.311 9.102 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.556 7.872 1.239 1.00 0.00 H new ATOM 760 N ALA A 47 2.627 4.999 2.939 1.00 0.00 N ATOM 761 CA ALA A 47 3.482 4.626 4.061 1.00 0.00 C ATOM 762 C ALA A 47 4.315 3.426 3.724 1.00 0.00 C ATOM 763 O ALA A 47 5.472 3.343 4.125 1.00 0.00 O ATOM 764 CB ALA A 47 2.651 4.334 5.286 1.00 0.00 C ATOM 0 H ALA A 47 1.635 5.007 3.175 1.00 0.00 H new ATOM 0 HA ALA A 47 4.144 5.467 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.306 4.058 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.079 5.221 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.967 3.512 5.074 1.00 0.00 H new ATOM 770 N LEU A 48 3.717 2.503 2.984 1.00 0.00 N ATOM 771 CA LEU A 48 4.417 1.307 2.507 1.00 0.00 C ATOM 772 C LEU A 48 5.663 1.722 1.694 1.00 0.00 C ATOM 773 O LEU A 48 6.722 1.095 1.787 1.00 0.00 O ATOM 774 CB LEU A 48 3.435 0.452 1.661 1.00 0.00 C ATOM 775 CG LEU A 48 3.868 -0.960 1.182 1.00 0.00 C ATOM 776 CD1 LEU A 48 2.669 -1.677 0.652 1.00 0.00 C ATOM 777 CD2 LEU A 48 4.921 -0.919 0.082 1.00 0.00 C ATOM 0 H LEU A 48 2.740 2.556 2.696 1.00 0.00 H new ATOM 0 HA LEU A 48 4.759 0.704 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.521 0.333 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.176 1.032 0.775 1.00 0.00 H new ATOM 0 HG LEU A 48 4.304 -1.470 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.960 -2.671 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.921 -1.768 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.250 -1.116 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.182 -1.936 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.525 -0.384 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.811 -0.407 0.449 1.00 0.00 H new ATOM 789 N GLU A 49 5.543 2.788 0.935 1.00 0.00 N ATOM 790 CA GLU A 49 6.644 3.250 0.145 1.00 0.00 C ATOM 791 C GLU A 49 7.498 4.267 0.920 1.00 0.00 C ATOM 792 O GLU A 49 8.378 3.881 1.683 1.00 0.00 O ATOM 793 CB GLU A 49 6.182 3.760 -1.256 1.00 0.00 C ATOM 794 CG GLU A 49 7.269 4.427 -2.119 1.00 0.00 C ATOM 795 CD GLU A 49 8.513 3.586 -2.331 1.00 0.00 C ATOM 796 OE1 GLU A 49 9.294 3.415 -1.376 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.755 3.130 -3.458 1.00 0.00 O ATOM 0 H GLU A 49 4.693 3.345 0.853 1.00 0.00 H new ATOM 0 HA GLU A 49 7.295 2.400 -0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.771 2.917 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.370 4.473 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.842 4.672 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.558 5.368 -1.652 1.00 0.00 H new ATOM 804 N THR A 50 7.217 5.536 0.786 1.00 0.00 N ATOM 805 CA THR A 50 8.060 6.545 1.414 1.00 0.00 C ATOM 806 C THR A 50 7.187 7.590 2.139 1.00 0.00 C ATOM 807 O THR A 50 7.612 8.724 2.406 1.00 0.00 O ATOM 808 CB THR A 50 8.979 7.227 0.345 1.00 0.00 C ATOM 809 OG1 THR A 50 9.544 6.218 -0.526 1.00 0.00 O ATOM 810 CG2 THR A 50 10.146 7.961 1.014 1.00 0.00 C ATOM 0 H THR A 50 6.425 5.902 0.258 1.00 0.00 H new ATOM 0 HA THR A 50 8.700 6.062 2.153 1.00 0.00 H new ATOM 0 HB THR A 50 8.367 7.934 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.117 6.647 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.769 8.426 0.250 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.757 8.729 1.682 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.743 7.250 1.586 1.00 0.00 H new ATOM 818 N GLY A 51 5.983 7.192 2.472 1.00 0.00 N ATOM 819 CA GLY A 51 5.097 8.064 3.186 1.00 0.00 C ATOM 820 C GLY A 51 5.398 8.094 4.655 1.00 0.00 C ATOM 821 O GLY A 51 6.527 8.388 5.077 1.00 0.00 O ATOM 0 H GLY A 51 5.600 6.271 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.176 9.072 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.068 7.738 3.034 1.00 0.00 H new ATOM 825 N CYS A 52 4.430 7.753 5.440 1.00 0.00 N ATOM 826 CA CYS A 52 4.604 7.815 6.856 1.00 0.00 C ATOM 827 C CYS A 52 3.985 6.617 7.543 1.00 0.00 C ATOM 828 O CYS A 52 2.773 6.577 7.798 1.00 0.00 O ATOM 829 CB CYS A 52 4.059 9.125 7.426 1.00 0.00 C ATOM 830 SG CYS A 52 4.248 9.298 9.230 1.00 0.00 S ATOM 0 H CYS A 52 3.514 7.430 5.129 1.00 0.00 H new ATOM 0 HA CYS A 52 5.675 7.789 7.055 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.566 9.958 6.938 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.001 9.204 7.175 1.00 0.00 H new ATOM 835 N GLU A 53 4.812 5.617 7.776 1.00 0.00 N ATOM 836 CA GLU A 53 4.416 4.401 8.461 1.00 0.00 C ATOM 837 C GLU A 53 4.111 4.723 9.901 1.00 0.00 C ATOM 838 O GLU A 53 3.016 4.530 10.378 1.00 0.00 O ATOM 839 CB GLU A 53 5.569 3.399 8.415 1.00 0.00 C ATOM 840 CG GLU A 53 5.278 2.090 9.114 1.00 0.00 C ATOM 841 CD GLU A 53 6.502 1.253 9.286 1.00 0.00 C ATOM 842 OE1 GLU A 53 6.996 0.686 8.304 1.00 0.00 O ATOM 843 OE2 GLU A 53 6.985 1.110 10.437 1.00 0.00 O ATOM 0 H GLU A 53 5.791 5.626 7.491 1.00 0.00 H new ATOM 0 HA GLU A 53 3.536 3.978 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.817 3.195 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.449 3.853 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.839 2.293 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.537 1.532 8.541 1.00 0.00 H new ATOM 850 N LYS A 54 5.085 5.315 10.537 1.00 0.00 N ATOM 851 CA LYS A 54 5.085 5.625 11.965 1.00 0.00 C ATOM 852 C LYS A 54 4.122 6.765 12.381 1.00 0.00 C ATOM 853 O LYS A 54 4.285 7.357 13.442 1.00 0.00 O ATOM 854 CB LYS A 54 6.544 5.877 12.423 1.00 0.00 C ATOM 855 CG LYS A 54 7.354 6.872 11.561 1.00 0.00 C ATOM 856 CD LYS A 54 6.879 8.318 11.699 1.00 0.00 C ATOM 857 CE LYS A 54 7.178 8.876 13.082 1.00 0.00 C ATOM 858 NZ LYS A 54 8.628 8.968 13.317 1.00 0.00 N ATOM 0 H LYS A 54 5.940 5.612 10.067 1.00 0.00 H new ATOM 0 HA LYS A 54 4.681 4.758 12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.525 6.245 13.449 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.071 4.923 12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.405 6.814 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.287 6.573 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.366 8.935 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.807 8.369 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.727 9.863 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.724 8.238 13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.810 9.602 14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.006 8.023 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.094 9.345 12.467 1.00 0.00 H new ATOM 872 N CYS A 55 3.147 7.053 11.557 1.00 0.00 N ATOM 873 CA CYS A 55 2.192 8.104 11.829 1.00 0.00 C ATOM 874 C CYS A 55 1.131 7.709 12.870 1.00 0.00 C ATOM 875 O CYS A 55 1.446 7.561 14.045 1.00 0.00 O ATOM 876 CB CYS A 55 1.572 8.640 10.542 1.00 0.00 C ATOM 877 SG CYS A 55 2.463 10.054 9.805 1.00 0.00 S ATOM 0 H CYS A 55 2.990 6.565 10.675 1.00 0.00 H new ATOM 0 HA CYS A 55 2.753 8.919 12.286 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.529 7.833 9.811 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.544 8.941 10.746 1.00 0.00 H new ATOM 882 N THR A 56 -0.102 7.530 12.448 1.00 0.00 N ATOM 883 CA THR A 56 -1.151 7.161 13.354 1.00 0.00 C ATOM 884 C THR A 56 -1.317 5.654 13.270 1.00 0.00 C ATOM 885 O THR A 56 -1.049 5.085 12.216 1.00 0.00 O ATOM 886 CB THR A 56 -2.465 7.890 12.976 1.00 0.00 C ATOM 887 OG1 THR A 56 -2.229 9.314 12.937 1.00 0.00 O ATOM 888 CG2 THR A 56 -3.579 7.604 13.982 1.00 0.00 C ATOM 0 H THR A 56 -0.397 7.636 11.477 1.00 0.00 H new ATOM 0 HA THR A 56 -0.903 7.451 14.375 1.00 0.00 H new ATOM 0 HB THR A 56 -2.780 7.523 11.999 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.059 9.777 12.696 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.484 8.133 13.683 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.777 6.533 14.011 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.271 7.943 14.971 1.00 0.00 H new ATOM 896 N GLU A 57 -1.739 5.031 14.362 1.00 0.00 N ATOM 897 CA GLU A 57 -1.886 3.576 14.484 1.00 0.00 C ATOM 898 C GLU A 57 -2.565 2.893 13.277 1.00 0.00 C ATOM 899 O GLU A 57 -2.100 1.843 12.844 1.00 0.00 O ATOM 900 CB GLU A 57 -2.610 3.222 15.774 1.00 0.00 C ATOM 901 CG GLU A 57 -3.986 3.835 15.881 1.00 0.00 C ATOM 902 CD GLU A 57 -4.698 3.429 17.121 1.00 0.00 C ATOM 903 OE1 GLU A 57 -5.029 2.251 17.268 1.00 0.00 O ATOM 904 OE2 GLU A 57 -4.920 4.284 17.989 1.00 0.00 O ATOM 0 H GLU A 57 -1.997 5.531 15.213 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.870 3.182 14.505 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.697 2.138 15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.008 3.551 16.621 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.899 4.921 15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.578 3.543 15.014 1.00 0.00 H new ATOM 911 N ALA A 58 -3.626 3.499 12.721 1.00 0.00 N ATOM 912 CA ALA A 58 -4.320 2.904 11.578 1.00 0.00 C ATOM 913 C ALA A 58 -3.393 2.796 10.382 1.00 0.00 C ATOM 914 O ALA A 58 -3.405 1.796 9.668 1.00 0.00 O ATOM 915 CB ALA A 58 -5.577 3.673 11.216 1.00 0.00 C ATOM 0 H ALA A 58 -4.014 4.386 13.041 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.626 1.900 11.871 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.061 3.198 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.260 3.675 12.066 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.314 4.699 10.959 1.00 0.00 H new ATOM 921 N GLN A 59 -2.569 3.808 10.194 1.00 0.00 N ATOM 922 CA GLN A 59 -1.591 3.802 9.134 1.00 0.00 C ATOM 923 C GLN A 59 -0.390 2.964 9.502 1.00 0.00 C ATOM 924 O GLN A 59 0.136 2.284 8.663 1.00 0.00 O ATOM 925 CB GLN A 59 -1.170 5.207 8.730 1.00 0.00 C ATOM 926 CG GLN A 59 -2.246 5.971 7.984 1.00 0.00 C ATOM 927 CD GLN A 59 -1.830 7.377 7.618 1.00 0.00 C ATOM 928 OE1 GLN A 59 -2.663 8.275 7.525 1.00 0.00 O ATOM 929 NE2 GLN A 59 -0.547 7.591 7.389 1.00 0.00 N ATOM 0 H GLN A 59 -2.561 4.650 10.769 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.070 3.349 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.893 5.766 9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.280 5.145 8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.506 5.427 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.145 6.013 8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.121 6.825 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.224 8.522 7.127 1.00 0.00 H new ATOM 938 N GLU A 60 0.039 3.032 10.762 1.00 0.00 N ATOM 939 CA GLU A 60 1.159 2.191 11.255 1.00 0.00 C ATOM 940 C GLU A 60 0.907 0.717 11.004 1.00 0.00 C ATOM 941 O GLU A 60 1.667 0.026 10.311 1.00 0.00 O ATOM 942 CB GLU A 60 1.323 2.337 12.757 1.00 0.00 C ATOM 943 CG GLU A 60 1.707 3.692 13.206 1.00 0.00 C ATOM 944 CD GLU A 60 2.059 3.716 14.665 1.00 0.00 C ATOM 945 OE1 GLU A 60 2.738 2.778 15.136 1.00 0.00 O ATOM 946 OE2 GLU A 60 1.661 4.642 15.380 1.00 0.00 O ATOM 0 H GLU A 60 -0.361 3.653 11.465 1.00 0.00 H new ATOM 0 HA GLU A 60 2.046 2.529 10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.386 2.061 13.240 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.078 1.628 13.097 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.558 4.041 12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.886 4.384 13.019 1.00 0.00 H new ATOM 953 N LYS A 61 -0.185 0.262 11.548 1.00 0.00 N ATOM 954 CA LYS A 61 -0.582 -1.136 11.441 1.00 0.00 C ATOM 955 C LYS A 61 -0.998 -1.453 10.019 1.00 0.00 C ATOM 956 O LYS A 61 -0.771 -2.556 9.511 1.00 0.00 O ATOM 957 CB LYS A 61 -1.710 -1.480 12.430 1.00 0.00 C ATOM 958 CG LYS A 61 -1.376 -1.196 13.901 1.00 0.00 C ATOM 959 CD LYS A 61 -0.112 -1.922 14.374 1.00 0.00 C ATOM 960 CE LYS A 61 -0.253 -3.441 14.334 1.00 0.00 C ATOM 961 NZ LYS A 61 1.003 -4.114 14.732 1.00 0.00 N ATOM 0 H LYS A 61 -0.834 0.840 12.081 1.00 0.00 H new ATOM 0 HA LYS A 61 0.278 -1.752 11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.600 -0.914 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.959 -2.536 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.246 -0.123 14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.218 -1.498 14.525 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.729 -1.623 13.748 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.121 -1.610 15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.059 -3.750 15.000 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.532 -3.755 13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.942 -5.126 14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.802 -3.690 14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.149 -4.000 15.755 1.00 0.00 H new ATOM 975 N GLY A 62 -1.565 -0.462 9.369 1.00 0.00 N ATOM 976 CA GLY A 62 -1.973 -0.596 8.003 1.00 0.00 C ATOM 977 C GLY A 62 -0.787 -0.787 7.085 1.00 0.00 C ATOM 978 O GLY A 62 -0.826 -1.605 6.164 1.00 0.00 O ATOM 0 H GLY A 62 -1.753 0.454 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.649 -1.445 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.529 0.291 7.700 1.00 0.00 H new ATOM 982 N ALA A 63 0.261 -0.043 7.342 1.00 0.00 N ATOM 983 CA ALA A 63 1.470 -0.118 6.573 1.00 0.00 C ATOM 984 C ALA A 63 2.072 -1.490 6.678 1.00 0.00 C ATOM 985 O ALA A 63 2.307 -2.114 5.677 1.00 0.00 O ATOM 986 CB ALA A 63 2.466 0.932 7.019 1.00 0.00 C ATOM 0 H ALA A 63 0.294 0.638 8.101 1.00 0.00 H new ATOM 0 HA ALA A 63 1.220 0.076 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.373 0.852 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.032 1.923 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.711 0.778 8.070 1.00 0.00 H new ATOM 992 N GLU A 64 2.245 -1.993 7.894 1.00 0.00 N ATOM 993 CA GLU A 64 2.873 -3.302 8.081 1.00 0.00 C ATOM 994 C GLU A 64 2.059 -4.454 7.457 1.00 0.00 C ATOM 995 O GLU A 64 2.634 -5.420 6.956 1.00 0.00 O ATOM 996 CB GLU A 64 3.213 -3.590 9.547 1.00 0.00 C ATOM 997 CG GLU A 64 2.039 -3.584 10.489 1.00 0.00 C ATOM 998 CD GLU A 64 2.412 -4.012 11.877 1.00 0.00 C ATOM 999 OE1 GLU A 64 2.441 -5.225 12.142 1.00 0.00 O ATOM 1000 OE2 GLU A 64 2.674 -3.157 12.739 1.00 0.00 O ATOM 0 H GLU A 64 1.965 -1.525 8.756 1.00 0.00 H new ATOM 0 HA GLU A 64 3.816 -3.250 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.701 -4.563 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.936 -2.849 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.611 -2.582 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.265 -4.248 10.104 1.00 0.00 H new ATOM 1007 N THR A 65 0.741 -4.346 7.473 1.00 0.00 N ATOM 1008 CA THR A 65 -0.094 -5.367 6.863 1.00 0.00 C ATOM 1009 C THR A 65 -0.043 -5.237 5.342 1.00 0.00 C ATOM 1010 O THR A 65 0.037 -6.250 4.615 1.00 0.00 O ATOM 1011 CB THR A 65 -1.564 -5.362 7.448 1.00 0.00 C ATOM 1012 OG1 THR A 65 -2.294 -6.501 7.017 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.350 -4.127 7.056 1.00 0.00 C ATOM 0 H THR A 65 0.231 -3.571 7.897 1.00 0.00 H new ATOM 0 HA THR A 65 0.305 -6.349 7.119 1.00 0.00 H new ATOM 0 HB THR A 65 -1.444 -5.373 8.531 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.198 -6.472 7.394 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.350 -4.180 7.486 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.841 -3.238 7.429 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.425 -4.073 5.970 1.00 0.00 H new ATOM 1021 N SER A 66 -0.020 -4.010 4.850 1.00 0.00 N ATOM 1022 CA SER A 66 0.075 -3.801 3.446 1.00 0.00 C ATOM 1023 C SER A 66 1.451 -4.248 2.936 1.00 0.00 C ATOM 1024 O SER A 66 1.546 -4.823 1.875 1.00 0.00 O ATOM 1025 CB SER A 66 -0.228 -2.348 3.063 1.00 0.00 C ATOM 1026 OG SER A 66 -0.379 -2.214 1.651 1.00 0.00 O ATOM 0 H SER A 66 -0.066 -3.159 5.411 1.00 0.00 H new ATOM 0 HA SER A 66 -0.685 -4.413 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.139 -2.018 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.578 -1.701 3.410 1.00 0.00 H new ATOM 0 HG SER A 66 -0.084 -3.038 1.211 1.00 0.00 H new ATOM 1032 N ILE A 67 2.488 -4.007 3.718 1.00 0.00 N ATOM 1033 CA ILE A 67 3.842 -4.422 3.362 1.00 0.00 C ATOM 1034 C ILE A 67 3.907 -5.935 3.238 1.00 0.00 C ATOM 1035 O ILE A 67 4.413 -6.452 2.249 1.00 0.00 O ATOM 1036 CB ILE A 67 4.908 -3.914 4.397 1.00 0.00 C ATOM 1037 CG1 ILE A 67 5.028 -2.380 4.334 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.268 -4.566 4.153 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.891 -1.763 5.416 1.00 0.00 C ATOM 0 H ILE A 67 2.421 -3.522 4.613 1.00 0.00 H new ATOM 0 HA ILE A 67 4.083 -3.968 2.401 1.00 0.00 H new ATOM 0 HB ILE A 67 4.573 -4.199 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.435 -2.102 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.029 -1.949 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.986 -4.195 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.176 -5.648 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.614 -4.321 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.915 -0.681 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.476 -2.005 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.904 -2.159 5.344 1.00 0.00 H new ATOM 1051 N ASP A 68 3.334 -6.624 4.218 1.00 0.00 N ATOM 1052 CA ASP A 68 3.325 -8.084 4.245 1.00 0.00 C ATOM 1053 C ASP A 68 2.759 -8.682 2.969 1.00 0.00 C ATOM 1054 O ASP A 68 3.482 -9.353 2.210 1.00 0.00 O ATOM 1055 CB ASP A 68 2.504 -8.581 5.469 1.00 0.00 C ATOM 1056 CG ASP A 68 2.082 -10.061 5.407 1.00 0.00 C ATOM 1057 OD1 ASP A 68 2.855 -10.964 5.804 1.00 0.00 O ATOM 1058 OD2 ASP A 68 0.935 -10.346 4.996 1.00 0.00 O ATOM 0 H ASP A 68 2.865 -6.190 5.013 1.00 0.00 H new ATOM 0 HA ASP A 68 4.360 -8.416 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.094 -8.424 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.609 -7.966 5.562 1.00 0.00 H new ATOM 1063 N TYR A 69 1.531 -8.351 2.650 1.00 0.00 N ATOM 1064 CA TYR A 69 0.915 -9.023 1.544 1.00 0.00 C ATOM 1065 C TYR A 69 1.333 -8.469 0.200 1.00 0.00 C ATOM 1066 O TYR A 69 1.493 -9.221 -0.747 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.588 -9.105 1.672 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.133 -10.350 1.025 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.089 -11.548 1.707 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.662 -10.345 -0.253 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -1.548 -12.711 1.147 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -2.132 -11.515 -0.821 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.070 -12.692 -0.115 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.523 -13.858 -0.683 1.00 0.00 O ATOM 0 H TYR A 69 0.961 -7.649 3.122 1.00 0.00 H new ATOM 0 HA TYR A 69 1.293 -10.045 1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.865 -9.091 2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.041 -8.227 1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.683 -11.570 2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.708 -9.421 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.497 -13.637 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.547 -11.504 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.864 -13.673 -1.583 1.00 0.00 H new ATOM 1084 N LEU A 70 1.526 -7.171 0.109 1.00 0.00 N ATOM 1085 CA LEU A 70 1.887 -6.567 -1.148 1.00 0.00 C ATOM 1086 C LEU A 70 3.268 -7.024 -1.584 1.00 0.00 C ATOM 1087 O LEU A 70 3.438 -7.438 -2.709 1.00 0.00 O ATOM 1088 CB LEU A 70 1.756 -5.037 -1.066 1.00 0.00 C ATOM 1089 CG LEU A 70 1.844 -4.267 -2.370 1.00 0.00 C ATOM 1090 CD1 LEU A 70 1.056 -2.973 -2.270 1.00 0.00 C ATOM 1091 CD2 LEU A 70 3.276 -3.945 -2.702 1.00 0.00 C ATOM 0 H LEU A 70 1.439 -6.519 0.889 1.00 0.00 H new ATOM 0 HA LEU A 70 1.193 -6.899 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.799 -4.804 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.535 -4.666 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 70 1.425 -4.892 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.127 -2.430 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.011 -3.199 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.464 -2.360 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.316 -3.393 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.707 -3.338 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.844 -4.870 -2.801 1.00 0.00 H new ATOM 1103 N ILE A 71 4.222 -7.026 -0.680 1.00 0.00 N ATOM 1104 CA ILE A 71 5.569 -7.433 -1.038 1.00 0.00 C ATOM 1105 C ILE A 71 5.620 -8.930 -1.414 1.00 0.00 C ATOM 1106 O ILE A 71 6.300 -9.313 -2.376 1.00 0.00 O ATOM 1107 CB ILE A 71 6.611 -7.090 0.080 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.715 -5.557 0.292 1.00 0.00 C ATOM 1109 CG2 ILE A 71 7.984 -7.680 -0.222 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.185 -4.770 -0.925 1.00 0.00 C ATOM 0 H ILE A 71 4.097 -6.755 0.295 1.00 0.00 H new ATOM 0 HA ILE A 71 5.851 -6.856 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 71 6.251 -7.545 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.738 -5.180 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.401 -5.365 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.676 -7.418 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.906 -8.765 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.353 -7.279 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.226 -3.709 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.177 -5.113 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.489 -4.925 -1.749 1.00 0.00 H new ATOM 1122 N LYS A 72 4.865 -9.772 -0.713 1.00 0.00 N ATOM 1123 CA LYS A 72 4.942 -11.196 -1.014 1.00 0.00 C ATOM 1124 C LYS A 72 3.921 -11.661 -2.078 1.00 0.00 C ATOM 1125 O LYS A 72 3.946 -12.825 -2.480 1.00 0.00 O ATOM 1126 CB LYS A 72 4.852 -12.048 0.261 1.00 0.00 C ATOM 1127 CG LYS A 72 3.494 -12.071 0.925 1.00 0.00 C ATOM 1128 CD LYS A 72 3.585 -12.679 2.309 1.00 0.00 C ATOM 1129 CE LYS A 72 2.220 -12.787 2.953 1.00 0.00 C ATOM 1130 NZ LYS A 72 2.308 -13.191 4.367 1.00 0.00 N ATOM 0 H LYS A 72 4.221 -9.509 0.034 1.00 0.00 H new ATOM 0 HA LYS A 72 5.925 -11.351 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.136 -13.071 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.584 -11.677 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.100 -11.057 0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.795 -12.644 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.038 -13.668 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.237 -12.069 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.708 -11.827 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.617 -13.512 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.350 -13.319 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.833 -14.086 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.803 -12.454 4.909 1.00 0.00 H new ATOM 1144 N ASN A 73 3.037 -10.774 -2.539 1.00 0.00 N ATOM 1145 CA ASN A 73 2.038 -11.172 -3.561 1.00 0.00 C ATOM 1146 C ASN A 73 2.019 -10.217 -4.753 1.00 0.00 C ATOM 1147 O ASN A 73 2.286 -10.624 -5.880 1.00 0.00 O ATOM 1148 CB ASN A 73 0.608 -11.220 -2.972 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.461 -11.615 -4.008 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -0.226 -12.454 -4.879 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -1.631 -10.993 -3.942 1.00 0.00 N ATOM 0 H ASN A 73 2.983 -9.801 -2.239 1.00 0.00 H new ATOM 0 HA ASN A 73 2.341 -12.165 -3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.586 -11.932 -2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.360 -10.243 -2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.361 -11.206 -4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.801 -10.302 -3.211 1.00 0.00 H new ATOM 1158 N GLU A 74 1.778 -8.952 -4.496 1.00 0.00 N ATOM 1159 CA GLU A 74 1.597 -7.967 -5.555 1.00 0.00 C ATOM 1160 C GLU A 74 2.742 -6.968 -5.581 1.00 0.00 C ATOM 1161 O GLU A 74 2.594 -5.811 -5.184 1.00 0.00 O ATOM 1162 CB GLU A 74 0.257 -7.237 -5.397 1.00 0.00 C ATOM 1163 CG GLU A 74 -0.975 -8.102 -5.614 1.00 0.00 C ATOM 1164 CD GLU A 74 -1.053 -8.666 -7.016 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -1.005 -7.886 -7.990 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -1.190 -9.890 -7.175 1.00 0.00 O ATOM 0 H GLU A 74 1.701 -8.571 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 74 1.592 -8.502 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.210 -6.808 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.228 -6.406 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.969 -8.923 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.869 -7.511 -5.414 1.00 0.00 H new ATOM 1173 N LEU A 75 3.869 -7.414 -6.048 1.00 0.00 N ATOM 1174 CA LEU A 75 5.083 -6.619 -6.029 1.00 0.00 C ATOM 1175 C LEU A 75 5.066 -5.525 -7.110 1.00 0.00 C ATOM 1176 O LEU A 75 5.740 -4.492 -6.983 1.00 0.00 O ATOM 1177 CB LEU A 75 6.310 -7.529 -6.185 1.00 0.00 C ATOM 1178 CG LEU A 75 7.673 -6.865 -6.000 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.797 -6.292 -4.595 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.794 -7.856 -6.273 1.00 0.00 C ATOM 0 H LEU A 75 3.984 -8.341 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 75 5.140 -6.113 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.226 -8.343 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.280 -7.977 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 75 7.758 -6.048 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.774 -5.822 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.016 -5.549 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.691 -7.094 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.757 -7.363 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.714 -8.695 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.716 -8.221 -7.297 1.00 0.00 H new ATOM 1192 N GLU A 76 4.262 -5.720 -8.140 1.00 0.00 N ATOM 1193 CA GLU A 76 4.178 -4.751 -9.227 1.00 0.00 C ATOM 1194 C GLU A 76 3.512 -3.476 -8.744 1.00 0.00 C ATOM 1195 O GLU A 76 3.828 -2.373 -9.213 1.00 0.00 O ATOM 1196 CB GLU A 76 3.414 -5.315 -10.411 1.00 0.00 C ATOM 1197 CG GLU A 76 4.041 -6.535 -11.042 1.00 0.00 C ATOM 1198 CD GLU A 76 5.384 -6.227 -11.633 1.00 0.00 C ATOM 1199 OE1 GLU A 76 5.459 -5.354 -12.512 1.00 0.00 O ATOM 1200 OE2 GLU A 76 6.391 -6.838 -11.216 1.00 0.00 O ATOM 0 H GLU A 76 3.659 -6.535 -8.250 1.00 0.00 H new ATOM 0 HA GLU A 76 5.194 -4.526 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.404 -5.568 -10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.320 -4.538 -11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.145 -7.319 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.382 -6.922 -11.819 1.00 0.00 H new ATOM 1207 N ILE A 77 2.623 -3.631 -7.776 1.00 0.00 N ATOM 1208 CA ILE A 77 1.926 -2.506 -7.186 1.00 0.00 C ATOM 1209 C ILE A 77 2.918 -1.653 -6.398 1.00 0.00 C ATOM 1210 O ILE A 77 2.826 -0.430 -6.388 1.00 0.00 O ATOM 1211 CB ILE A 77 0.760 -2.969 -6.265 1.00 0.00 C ATOM 1212 CG1 ILE A 77 -0.215 -3.870 -7.045 1.00 0.00 C ATOM 1213 CG2 ILE A 77 0.013 -1.773 -5.665 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -0.860 -3.214 -8.256 1.00 0.00 C ATOM 0 H ILE A 77 2.367 -4.536 -7.381 1.00 0.00 H new ATOM 0 HA ILE A 77 1.488 -1.914 -7.990 1.00 0.00 H new ATOM 0 HB ILE A 77 1.192 -3.541 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.320 -4.761 -7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.002 -4.202 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.795 -2.131 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.704 -1.172 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.402 -1.163 -6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.530 -3.924 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.428 -2.340 -7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.086 -2.907 -8.959 1.00 0.00 H new ATOM 1226 N TRP A 78 3.903 -2.310 -5.787 1.00 0.00 N ATOM 1227 CA TRP A 78 4.954 -1.606 -5.064 1.00 0.00 C ATOM 1228 C TRP A 78 5.743 -0.742 -6.020 1.00 0.00 C ATOM 1229 O TRP A 78 6.027 0.406 -5.726 1.00 0.00 O ATOM 1230 CB TRP A 78 5.886 -2.576 -4.328 1.00 0.00 C ATOM 1231 CG TRP A 78 7.066 -1.898 -3.730 1.00 0.00 C ATOM 1232 CD1 TRP A 78 7.063 -0.938 -2.760 1.00 0.00 C ATOM 1233 CD2 TRP A 78 8.425 -2.121 -4.071 1.00 0.00 C ATOM 1234 NE1 TRP A 78 8.343 -0.541 -2.497 1.00 0.00 N ATOM 1235 CE2 TRP A 78 9.196 -1.259 -3.287 1.00 0.00 C ATOM 1236 CE3 TRP A 78 9.063 -2.969 -4.973 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 10.567 -1.219 -3.376 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 10.430 -2.927 -5.056 1.00 0.00 C ATOM 1239 CH2 TRP A 78 11.172 -2.056 -4.262 1.00 0.00 C ATOM 0 H TRP A 78 3.993 -3.326 -5.780 1.00 0.00 H new ATOM 0 HA TRP A 78 4.480 -0.975 -4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.327 -3.084 -3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 78 6.227 -3.343 -5.023 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.180 -0.550 -2.273 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.617 0.173 -1.822 1.00 0.00 H new ATOM 0 HE3 TRP A 78 8.493 -3.645 -5.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 11.146 -0.545 -2.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 10.940 -3.580 -5.748 1.00 0.00 H new ATOM 0 HH2 TRP A 78 12.248 -2.045 -4.351 1.00 0.00 H new ATOM 1250 N LYS A 79 6.045 -1.295 -7.187 1.00 0.00 N ATOM 1251 CA LYS A 79 6.762 -0.567 -8.239 1.00 0.00 C ATOM 1252 C LYS A 79 5.981 0.684 -8.646 1.00 0.00 C ATOM 1253 O LYS A 79 6.557 1.721 -8.988 1.00 0.00 O ATOM 1254 CB LYS A 79 6.961 -1.453 -9.460 1.00 0.00 C ATOM 1255 CG LYS A 79 7.819 -2.676 -9.222 1.00 0.00 C ATOM 1256 CD LYS A 79 7.884 -3.524 -10.474 1.00 0.00 C ATOM 1257 CE LYS A 79 8.772 -4.730 -10.284 1.00 0.00 C ATOM 1258 NZ LYS A 79 8.760 -5.594 -11.470 1.00 0.00 N ATOM 0 H LYS A 79 5.804 -2.254 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 79 7.736 -0.275 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.984 -1.776 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.413 -0.858 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.824 -2.372 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.409 -3.261 -8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.880 -3.850 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.259 -2.923 -11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.792 -4.404 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.438 -5.297 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.655 -6.120 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.968 -6.265 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.648 -5.010 -12.324 1.00 0.00 H new ATOM 1272 N GLU A 80 4.672 0.590 -8.581 1.00 0.00 N ATOM 1273 CA GLU A 80 3.827 1.708 -8.905 1.00 0.00 C ATOM 1274 C GLU A 80 3.789 2.739 -7.782 1.00 0.00 C ATOM 1275 O GLU A 80 3.659 3.932 -8.044 1.00 0.00 O ATOM 1276 CB GLU A 80 2.444 1.260 -9.319 1.00 0.00 C ATOM 1277 CG GLU A 80 2.479 0.395 -10.557 1.00 0.00 C ATOM 1278 CD GLU A 80 1.130 0.140 -11.142 1.00 0.00 C ATOM 1279 OE1 GLU A 80 0.627 1.016 -11.877 1.00 0.00 O ATOM 1280 OE2 GLU A 80 0.583 -0.944 -10.948 1.00 0.00 O ATOM 0 H GLU A 80 4.171 -0.255 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 80 4.269 2.207 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.982 0.706 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.820 2.134 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.107 0.874 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.946 -0.559 -10.311 1.00 0.00 H new ATOM 1287 N LEU A 81 3.931 2.294 -6.544 1.00 0.00 N ATOM 1288 CA LEU A 81 4.022 3.227 -5.412 1.00 0.00 C ATOM 1289 C LEU A 81 5.388 3.901 -5.470 1.00 0.00 C ATOM 1290 O LEU A 81 5.560 5.079 -5.100 1.00 0.00 O ATOM 1291 CB LEU A 81 3.819 2.508 -4.071 1.00 0.00 C ATOM 1292 CG LEU A 81 2.524 1.688 -3.949 1.00 0.00 C ATOM 1293 CD1 LEU A 81 2.450 0.992 -2.603 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.290 2.568 -4.172 1.00 0.00 C ATOM 0 H LEU A 81 3.986 1.308 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 81 3.230 3.973 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.666 1.843 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.834 3.251 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 81 2.538 0.925 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.525 0.418 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.302 0.321 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.470 1.736 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.389 1.961 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.270 3.363 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.331 3.007 -5.169 1.00 0.00 H new ATOM 1306 N THR A 82 6.348 3.146 -5.968 1.00 0.00 N ATOM 1307 CA THR A 82 7.647 3.637 -6.279 1.00 0.00 C ATOM 1308 C THR A 82 7.518 4.744 -7.336 1.00 0.00 C ATOM 1309 O THR A 82 7.948 5.855 -7.106 1.00 0.00 O ATOM 1310 CB THR A 82 8.564 2.456 -6.739 1.00 0.00 C ATOM 1311 OG1 THR A 82 8.867 1.607 -5.627 1.00 0.00 O ATOM 1312 CG2 THR A 82 9.853 2.911 -7.394 1.00 0.00 C ATOM 0 H THR A 82 6.228 2.153 -6.167 1.00 0.00 H new ATOM 0 HA THR A 82 8.120 4.074 -5.399 1.00 0.00 H new ATOM 0 HB THR A 82 8.001 1.909 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.776 2.115 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.439 2.040 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.622 3.507 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.426 3.513 -6.689 1.00 0.00 H new ATOM 1320 N ALA A 83 6.818 4.456 -8.431 1.00 0.00 N ATOM 1321 CA ALA A 83 6.580 5.436 -9.501 1.00 0.00 C ATOM 1322 C ALA A 83 5.806 6.663 -8.982 1.00 0.00 C ATOM 1323 O ALA A 83 5.945 7.765 -9.505 1.00 0.00 O ATOM 1324 CB ALA A 83 5.831 4.786 -10.659 1.00 0.00 C ATOM 0 H ALA A 83 6.399 3.543 -8.606 1.00 0.00 H new ATOM 0 HA ALA A 83 7.550 5.782 -9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.662 5.524 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.422 3.962 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.872 4.407 -10.305 1.00 0.00 H new ATOM 1330 N HIS A 84 5.001 6.452 -7.958 1.00 0.00 N ATOM 1331 CA HIS A 84 4.220 7.509 -7.324 1.00 0.00 C ATOM 1332 C HIS A 84 5.122 8.541 -6.639 1.00 0.00 C ATOM 1333 O HIS A 84 4.997 9.740 -6.892 1.00 0.00 O ATOM 1334 CB HIS A 84 3.211 6.884 -6.307 1.00 0.00 C ATOM 1335 CG HIS A 84 2.442 7.849 -5.395 1.00 0.00 C ATOM 1336 ND1 HIS A 84 1.086 8.013 -5.439 1.00 0.00 N ATOM 1337 CD2 HIS A 84 2.858 8.606 -4.353 1.00 0.00 C ATOM 1338 CE1 HIS A 84 0.706 8.820 -4.467 1.00 0.00 C ATOM 1339 NE2 HIS A 84 1.766 9.190 -3.795 1.00 0.00 N ATOM 0 H HIS A 84 4.866 5.534 -7.535 1.00 0.00 H new ATOM 0 HA HIS A 84 3.662 8.035 -8.098 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.483 6.300 -6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.759 6.186 -5.674 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.879 8.725 -4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.310 9.124 -4.261 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.771 9.813 -2.987 1.00 0.00 H new ATOM 1348 N PHE A 85 6.022 8.081 -5.792 1.00 0.00 N ATOM 1349 CA PHE A 85 6.794 9.000 -4.965 1.00 0.00 C ATOM 1350 C PHE A 85 8.263 9.072 -5.384 1.00 0.00 C ATOM 1351 O PHE A 85 8.790 10.149 -5.666 1.00 0.00 O ATOM 1352 CB PHE A 85 6.689 8.581 -3.482 1.00 0.00 C ATOM 1353 CG PHE A 85 7.200 9.610 -2.499 1.00 0.00 C ATOM 1354 CD1 PHE A 85 8.539 9.666 -2.152 1.00 0.00 C ATOM 1355 CD2 PHE A 85 6.327 10.517 -1.924 1.00 0.00 C ATOM 1356 CE1 PHE A 85 8.998 10.607 -1.254 1.00 0.00 C ATOM 1357 CE2 PHE A 85 6.781 11.461 -1.022 1.00 0.00 C ATOM 1358 CZ PHE A 85 8.118 11.504 -0.686 1.00 0.00 C ATOM 0 H PHE A 85 6.238 7.093 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 85 6.371 9.995 -5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.646 8.365 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.245 7.654 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.233 8.964 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.279 10.487 -2.183 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.046 10.641 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.090 12.164 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.475 12.239 0.021 1.00 0.00 H new ATOM 1368 N ASP A 86 8.905 7.940 -5.451 1.00 0.00 N ATOM 1369 CA ASP A 86 10.347 7.885 -5.670 1.00 0.00 C ATOM 1370 C ASP A 86 10.709 6.761 -6.641 1.00 0.00 C ATOM 1371 O ASP A 86 11.037 5.642 -6.226 1.00 0.00 O ATOM 1372 CB ASP A 86 11.055 7.730 -4.308 1.00 0.00 C ATOM 1373 CG ASP A 86 12.536 7.473 -4.382 1.00 0.00 C ATOM 1374 OD1 ASP A 86 13.291 8.333 -4.878 1.00 0.00 O ATOM 1375 OD2 ASP A 86 12.972 6.410 -3.899 1.00 0.00 O ATOM 0 H ASP A 86 8.459 7.027 -5.358 1.00 0.00 H new ATOM 0 HA ASP A 86 10.687 8.812 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.888 8.635 -3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.587 6.910 -3.764 1.00 0.00 H new ATOM 1380 N PRO A 87 10.563 7.023 -7.958 1.00 0.00 N ATOM 1381 CA PRO A 87 10.766 6.016 -9.009 1.00 0.00 C ATOM 1382 C PRO A 87 12.217 5.584 -9.165 1.00 0.00 C ATOM 1383 O PRO A 87 12.520 4.395 -9.306 1.00 0.00 O ATOM 1384 CB PRO A 87 10.292 6.723 -10.292 1.00 0.00 C ATOM 1385 CG PRO A 87 9.530 7.916 -9.828 1.00 0.00 C ATOM 1386 CD PRO A 87 10.148 8.313 -8.530 1.00 0.00 C ATOM 0 HA PRO A 87 10.225 5.099 -8.774 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.137 7.015 -10.915 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.664 6.066 -10.894 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.592 8.726 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.473 7.680 -9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.996 8.983 -8.674 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.438 8.831 -7.886 1.00 0.00 H new ATOM 1394 N ASP A 88 13.106 6.526 -9.051 1.00 0.00 N ATOM 1395 CA ASP A 88 14.515 6.282 -9.284 1.00 0.00 C ATOM 1396 C ASP A 88 15.271 6.102 -8.008 1.00 0.00 C ATOM 1397 O ASP A 88 16.474 6.390 -7.923 1.00 0.00 O ATOM 1398 CB ASP A 88 15.133 7.358 -10.172 1.00 0.00 C ATOM 1399 CG ASP A 88 14.788 7.151 -11.624 1.00 0.00 C ATOM 1400 OD1 ASP A 88 13.748 7.652 -12.089 1.00 0.00 O ATOM 1401 OD2 ASP A 88 15.557 6.445 -12.332 1.00 0.00 O ATOM 0 H ASP A 88 12.884 7.488 -8.794 1.00 0.00 H new ATOM 0 HA ASP A 88 14.592 5.339 -9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.783 8.339 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.216 7.351 -10.051 1.00 0.00 H new ATOM 1406 N GLY A 89 14.572 5.596 -7.015 1.00 0.00 N ATOM 1407 CA GLY A 89 15.164 5.312 -5.735 1.00 0.00 C ATOM 1408 C GLY A 89 16.156 4.165 -5.783 1.00 0.00 C ATOM 1409 O GLY A 89 16.415 3.593 -6.849 1.00 0.00 O ATOM 0 H GLY A 89 13.579 5.372 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.668 6.206 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.376 5.074 -5.021 1.00 0.00 H new ATOM 1413 N LYS A 90 16.673 3.798 -4.624 1.00 0.00 N ATOM 1414 CA LYS A 90 17.690 2.759 -4.513 1.00 0.00 C ATOM 1415 C LYS A 90 17.090 1.390 -4.876 1.00 0.00 C ATOM 1416 O LYS A 90 17.809 0.466 -5.260 1.00 0.00 O ATOM 1417 CB LYS A 90 18.268 2.760 -3.085 1.00 0.00 C ATOM 1418 CG LYS A 90 19.509 1.901 -2.876 1.00 0.00 C ATOM 1419 CD LYS A 90 20.659 2.372 -3.743 1.00 0.00 C ATOM 1420 CE LYS A 90 21.928 1.601 -3.441 1.00 0.00 C ATOM 1421 NZ LYS A 90 23.025 1.977 -4.349 1.00 0.00 N ATOM 0 H LYS A 90 16.402 4.210 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 90 18.501 2.960 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.509 3.787 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.493 2.420 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.804 1.935 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.278 0.862 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.398 2.250 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 90 20.829 3.436 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 90 22.230 1.787 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.734 0.532 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 23.876 1.428 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 22.747 1.777 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 23.228 2.992 -4.247 1.00 0.00 H new ATOM 1435 N TRP A 91 15.764 1.293 -4.713 1.00 0.00 N ATOM 1436 CA TRP A 91 14.925 0.130 -5.089 1.00 0.00 C ATOM 1437 C TRP A 91 15.197 -1.076 -4.201 1.00 0.00 C ATOM 1438 O TRP A 91 14.360 -1.455 -3.388 1.00 0.00 O ATOM 1439 CB TRP A 91 15.096 -0.233 -6.583 1.00 0.00 C ATOM 1440 CG TRP A 91 13.964 -1.048 -7.175 1.00 0.00 C ATOM 1441 CD1 TRP A 91 12.944 -0.555 -7.933 1.00 0.00 C ATOM 1442 CD2 TRP A 91 13.722 -2.475 -7.071 1.00 0.00 C ATOM 1443 NE1 TRP A 91 12.107 -1.563 -8.318 1.00 0.00 N ATOM 1444 CE2 TRP A 91 12.555 -2.746 -7.808 1.00 0.00 C ATOM 1445 CE3 TRP A 91 14.372 -3.542 -6.439 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 12.030 -4.033 -7.931 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 13.848 -4.812 -6.561 1.00 0.00 C ATOM 1448 CH2 TRP A 91 12.689 -5.049 -7.302 1.00 0.00 C ATOM 0 H TRP A 91 15.217 2.049 -4.300 1.00 0.00 H new ATOM 0 HA TRP A 91 13.887 0.424 -4.933 1.00 0.00 H new ATOM 0 HB2 TRP A 91 15.199 0.688 -7.156 1.00 0.00 H new ATOM 0 HB3 TRP A 91 16.026 -0.789 -6.703 1.00 0.00 H new ATOM 0 HD1 TRP A 91 12.816 0.486 -8.192 1.00 0.00 H new ATOM 0 HE1 TRP A 91 11.275 -1.449 -8.897 1.00 0.00 H new ATOM 0 HE3 TRP A 91 15.271 -3.373 -5.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 11.133 -4.219 -8.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 14.344 -5.639 -6.074 1.00 0.00 H new ATOM 0 HH2 TRP A 91 12.306 -6.056 -7.379 1.00 0.00 H new ATOM 1459 N ARG A 92 16.384 -1.630 -4.333 1.00 0.00 N ATOM 1460 CA ARG A 92 16.804 -2.817 -3.597 1.00 0.00 C ATOM 1461 C ARG A 92 16.759 -2.569 -2.104 1.00 0.00 C ATOM 1462 O ARG A 92 16.224 -3.377 -1.352 1.00 0.00 O ATOM 1463 CB ARG A 92 18.218 -3.270 -4.020 1.00 0.00 C ATOM 1464 CG ARG A 92 18.319 -3.986 -5.375 1.00 0.00 C ATOM 1465 CD ARG A 92 17.940 -3.122 -6.581 1.00 0.00 C ATOM 1466 NE ARG A 92 18.794 -1.944 -6.752 1.00 0.00 N ATOM 1467 CZ ARG A 92 19.013 -1.329 -7.926 1.00 0.00 C ATOM 1468 NH1 ARG A 92 18.415 -1.763 -9.035 1.00 0.00 N ATOM 1469 NH2 ARG A 92 19.824 -0.284 -7.988 1.00 0.00 N ATOM 0 H ARG A 92 17.099 -1.267 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 92 16.105 -3.617 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.866 -2.394 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.610 -3.935 -3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.340 -4.344 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.674 -4.864 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.991 -3.731 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.905 -2.797 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 92 19.253 -1.565 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.787 -2.566 -8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 92 18.585 -1.292 -9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.284 0.055 -7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.989 0.181 -8.881 1.00 0.00 H new ATOM 1483 N LYS A 93 17.276 -1.419 -1.700 1.00 0.00 N ATOM 1484 CA LYS A 93 17.299 -1.023 -0.302 1.00 0.00 C ATOM 1485 C LYS A 93 15.898 -0.934 0.250 1.00 0.00 C ATOM 1486 O LYS A 93 15.654 -1.363 1.347 1.00 0.00 O ATOM 1487 CB LYS A 93 18.019 0.308 -0.130 1.00 0.00 C ATOM 1488 CG LYS A 93 18.132 0.786 1.309 1.00 0.00 C ATOM 1489 CD LYS A 93 18.907 2.077 1.384 1.00 0.00 C ATOM 1490 CE LYS A 93 19.120 2.528 2.814 1.00 0.00 C ATOM 1491 NZ LYS A 93 19.928 3.756 2.878 1.00 0.00 N ATOM 0 H LYS A 93 17.691 -0.735 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 93 17.843 -1.785 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.021 0.221 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.495 1.067 -0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.136 0.929 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.626 0.024 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.873 1.949 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.373 2.853 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.155 2.701 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.615 1.736 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.055 4.037 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.858 3.583 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.443 4.518 2.362 1.00 0.00 H new ATOM 1505 N LYS A 94 14.978 -0.405 -0.547 1.00 0.00 N ATOM 1506 CA LYS A 94 13.579 -0.286 -0.146 1.00 0.00 C ATOM 1507 C LYS A 94 13.003 -1.660 0.099 1.00 0.00 C ATOM 1508 O LYS A 94 12.368 -1.915 1.116 1.00 0.00 O ATOM 1509 CB LYS A 94 12.749 0.297 -1.256 1.00 0.00 C ATOM 1510 CG LYS A 94 13.060 1.679 -1.725 1.00 0.00 C ATOM 1511 CD LYS A 94 12.068 2.028 -2.809 1.00 0.00 C ATOM 1512 CE LYS A 94 12.220 3.427 -3.311 1.00 0.00 C ATOM 1513 NZ LYS A 94 11.184 3.728 -4.307 1.00 0.00 N ATOM 0 H LYS A 94 15.176 -0.049 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 94 13.553 0.345 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.827 -0.370 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.708 0.282 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.991 2.388 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.079 1.733 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.188 1.334 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.057 1.893 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.149 4.128 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.208 3.556 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.451 4.580 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.089 2.926 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.277 3.891 -3.826 1.00 0.00 H new ATOM 1527 N TYR A 95 13.231 -2.524 -0.866 1.00 0.00 N ATOM 1528 CA TYR A 95 12.724 -3.873 -0.875 1.00 0.00 C ATOM 1529 C TYR A 95 13.176 -4.602 0.389 1.00 0.00 C ATOM 1530 O TYR A 95 12.355 -5.199 1.098 1.00 0.00 O ATOM 1531 CB TYR A 95 13.215 -4.553 -2.162 1.00 0.00 C ATOM 1532 CG TYR A 95 12.620 -5.899 -2.472 1.00 0.00 C ATOM 1533 CD1 TYR A 95 11.247 -6.072 -2.548 1.00 0.00 C ATOM 1534 CD2 TYR A 95 13.431 -6.986 -2.740 1.00 0.00 C ATOM 1535 CE1 TYR A 95 10.704 -7.294 -2.874 1.00 0.00 C ATOM 1536 CE2 TYR A 95 12.894 -8.210 -3.064 1.00 0.00 C ATOM 1537 CZ TYR A 95 11.529 -8.356 -3.130 1.00 0.00 C ATOM 1538 OH TYR A 95 10.987 -9.577 -3.452 1.00 0.00 O ATOM 0 H TYR A 95 13.791 -2.298 -1.688 1.00 0.00 H new ATOM 0 HA TYR A 95 11.634 -3.891 -0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 95 13.011 -3.887 -3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 95 14.298 -4.664 -2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.594 -5.236 -2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.504 -6.872 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.632 -7.414 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.541 -9.051 -3.265 1.00 0.00 H new ATOM 0 HH TYR A 95 11.416 -9.921 -4.263 1.00 0.00 H new ATOM 1548 N GLU A 96 14.460 -4.478 0.701 1.00 0.00 N ATOM 1549 CA GLU A 96 15.016 -5.050 1.915 1.00 0.00 C ATOM 1550 C GLU A 96 14.393 -4.376 3.147 1.00 0.00 C ATOM 1551 O GLU A 96 13.836 -5.037 4.003 1.00 0.00 O ATOM 1552 CB GLU A 96 16.539 -4.870 1.948 1.00 0.00 C ATOM 1553 CG GLU A 96 17.293 -5.588 0.841 1.00 0.00 C ATOM 1554 CD GLU A 96 18.788 -5.403 0.955 1.00 0.00 C ATOM 1555 OE1 GLU A 96 19.413 -6.066 1.804 1.00 0.00 O ATOM 1556 OE2 GLU A 96 19.374 -4.577 0.207 1.00 0.00 O ATOM 0 H GLU A 96 15.138 -3.982 0.123 1.00 0.00 H new ATOM 0 HA GLU A 96 14.787 -6.115 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.766 -3.805 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.911 -5.224 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 96 17.057 -6.652 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.955 -5.216 -0.126 1.00 0.00 H new ATOM 1563 N ASP A 97 14.454 -3.059 3.170 1.00 0.00 N ATOM 1564 CA ASP A 97 13.983 -2.209 4.285 1.00 0.00 C ATOM 1565 C ASP A 97 12.546 -2.515 4.713 1.00 0.00 C ATOM 1566 O ASP A 97 12.302 -2.863 5.868 1.00 0.00 O ATOM 1567 CB ASP A 97 14.094 -0.737 3.854 1.00 0.00 C ATOM 1568 CG ASP A 97 13.520 0.258 4.823 1.00 0.00 C ATOM 1569 OD1 ASP A 97 14.204 0.621 5.785 1.00 0.00 O ATOM 1570 OD2 ASP A 97 12.402 0.756 4.580 1.00 0.00 O ATOM 0 H ASP A 97 14.842 -2.519 2.397 1.00 0.00 H new ATOM 0 HA ASP A 97 14.612 -2.418 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.146 -0.500 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.591 -0.617 2.894 1.00 0.00 H new ATOM 1575 N ARG A 98 11.624 -2.468 3.768 1.00 0.00 N ATOM 1576 CA ARG A 98 10.205 -2.674 4.072 1.00 0.00 C ATOM 1577 C ARG A 98 9.940 -4.111 4.488 1.00 0.00 C ATOM 1578 O ARG A 98 9.314 -4.367 5.523 1.00 0.00 O ATOM 1579 CB ARG A 98 9.284 -2.309 2.876 1.00 0.00 C ATOM 1580 CG ARG A 98 9.054 -0.809 2.578 1.00 0.00 C ATOM 1581 CD ARG A 98 10.337 -0.053 2.312 1.00 0.00 C ATOM 1582 NE ARG A 98 10.138 1.246 1.644 1.00 0.00 N ATOM 1583 CZ ARG A 98 11.117 2.152 1.487 1.00 0.00 C ATOM 1584 NH1 ARG A 98 12.183 2.115 2.270 1.00 0.00 N ATOM 1585 NH2 ARG A 98 11.000 3.131 0.597 1.00 0.00 N ATOM 0 H ARG A 98 11.824 -2.290 2.784 1.00 0.00 H new ATOM 0 HA ARG A 98 9.969 -2.004 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.700 -2.769 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.311 -2.770 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.397 -0.713 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.538 -0.352 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.853 0.111 3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.990 -0.671 1.696 1.00 0.00 H new ATOM 0 HE ARG A 98 9.210 1.468 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.261 1.399 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.927 2.803 2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.160 3.201 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.751 3.813 0.487 1.00 0.00 H new ATOM 1599 N ALA A 99 10.453 -5.043 3.707 1.00 0.00 N ATOM 1600 CA ALA A 99 10.183 -6.443 3.928 1.00 0.00 C ATOM 1601 C ALA A 99 10.828 -6.961 5.207 1.00 0.00 C ATOM 1602 O ALA A 99 10.158 -7.532 6.061 1.00 0.00 O ATOM 1603 CB ALA A 99 10.638 -7.249 2.737 1.00 0.00 C ATOM 0 H ALA A 99 11.061 -4.850 2.911 1.00 0.00 H new ATOM 0 HA ALA A 99 9.106 -6.556 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.431 -8.305 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.104 -6.917 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.709 -7.109 2.591 1.00 0.00 H new ATOM 1609 N LYS A 100 12.099 -6.710 5.370 1.00 0.00 N ATOM 1610 CA LYS A 100 12.842 -7.264 6.484 1.00 0.00 C ATOM 1611 C LYS A 100 12.450 -6.657 7.817 1.00 0.00 C ATOM 1612 O LYS A 100 12.489 -7.347 8.835 1.00 0.00 O ATOM 1613 CB LYS A 100 14.340 -7.157 6.262 1.00 0.00 C ATOM 1614 CG LYS A 100 14.849 -7.881 5.013 1.00 0.00 C ATOM 1615 CD LYS A 100 14.593 -9.388 5.055 1.00 0.00 C ATOM 1616 CE LYS A 100 15.335 -10.070 6.196 1.00 0.00 C ATOM 1617 NZ LYS A 100 16.772 -9.740 6.187 1.00 0.00 N ATOM 0 H LYS A 100 12.650 -6.122 4.744 1.00 0.00 H new ATOM 0 HA LYS A 100 12.575 -8.320 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.610 -6.103 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.854 -7.560 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.365 -7.459 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.919 -7.702 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.523 -9.569 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.900 -9.833 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.898 -9.766 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.209 -11.150 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.323 -10.580 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.052 -9.433 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.957 -8.974 6.866 1.00 0.00 H new ATOM 1631 N ALA A 101 12.037 -5.395 7.820 1.00 0.00 N ATOM 1632 CA ALA A 101 11.624 -4.747 9.062 1.00 0.00 C ATOM 1633 C ALA A 101 10.326 -5.354 9.588 1.00 0.00 C ATOM 1634 O ALA A 101 10.095 -5.419 10.799 1.00 0.00 O ATOM 1635 CB ALA A 101 11.466 -3.247 8.876 1.00 0.00 C ATOM 0 H ALA A 101 11.979 -4.806 6.990 1.00 0.00 H new ATOM 0 HA ALA A 101 12.410 -4.918 9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.158 -2.794 9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.417 -2.817 8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.710 -3.052 8.116 1.00 0.00 H new ATOM 1641 N LYS A 102 9.481 -5.812 8.683 1.00 0.00 N ATOM 1642 CA LYS A 102 8.207 -6.391 9.082 1.00 0.00 C ATOM 1643 C LYS A 102 8.283 -7.903 9.160 1.00 0.00 C ATOM 1644 O LYS A 102 7.394 -8.554 9.696 1.00 0.00 O ATOM 1645 CB LYS A 102 7.104 -5.937 8.149 1.00 0.00 C ATOM 1646 CG LYS A 102 7.003 -4.425 8.055 1.00 0.00 C ATOM 1647 CD LYS A 102 6.789 -3.776 9.426 1.00 0.00 C ATOM 1648 CE LYS A 102 6.740 -2.262 9.323 1.00 0.00 C ATOM 1649 NZ LYS A 102 6.641 -1.602 10.653 1.00 0.00 N ATOM 0 H LYS A 102 9.649 -5.796 7.677 1.00 0.00 H new ATOM 0 HA LYS A 102 7.971 -6.033 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.282 -6.348 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.152 -6.340 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.913 -4.029 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.178 -4.157 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.860 -4.142 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.595 -4.070 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.634 -1.907 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.886 -1.970 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.086 -0.663 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.640 -1.499 10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.128 -2.182 11.366 1.00 0.00 H new ATOM 1663 N GLY A 103 9.329 -8.436 8.612 1.00 0.00 N ATOM 1664 CA GLY A 103 9.579 -9.856 8.703 1.00 0.00 C ATOM 1665 C GLY A 103 9.052 -10.616 7.513 1.00 0.00 C ATOM 1666 O GLY A 103 8.356 -11.613 7.662 1.00 0.00 O ATOM 0 H GLY A 103 10.033 -7.913 8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.652 -10.027 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.118 -10.245 9.611 1.00 0.00 H new ATOM 1670 N ILE A 104 9.354 -10.128 6.344 1.00 0.00 N ATOM 1671 CA ILE A 104 8.955 -10.761 5.109 1.00 0.00 C ATOM 1672 C ILE A 104 10.204 -11.268 4.405 1.00 0.00 C ATOM 1673 O ILE A 104 11.189 -10.532 4.286 1.00 0.00 O ATOM 1674 CB ILE A 104 8.203 -9.753 4.182 1.00 0.00 C ATOM 1675 CG1 ILE A 104 6.997 -9.129 4.907 1.00 0.00 C ATOM 1676 CG2 ILE A 104 7.766 -10.403 2.867 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.988 -10.137 5.421 1.00 0.00 C ATOM 0 H ILE A 104 9.890 -9.270 6.215 1.00 0.00 H new ATOM 0 HA ILE A 104 8.277 -11.586 5.330 1.00 0.00 H new ATOM 0 HB ILE A 104 8.907 -8.958 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.360 -8.535 5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.493 -8.443 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.247 -9.667 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.643 -10.768 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.096 -11.237 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.171 -9.613 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.593 -10.715 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.473 -10.808 6.130 1.00 0.00 H new ATOM 1689 N VAL A 105 10.187 -12.517 3.985 1.00 0.00 N ATOM 1690 CA VAL A 105 11.328 -13.102 3.292 1.00 0.00 C ATOM 1691 C VAL A 105 11.304 -12.785 1.798 1.00 0.00 C ATOM 1692 O VAL A 105 10.299 -13.027 1.092 1.00 0.00 O ATOM 1693 CB VAL A 105 11.464 -14.633 3.526 1.00 0.00 C ATOM 1694 CG1 VAL A 105 11.848 -14.913 4.967 1.00 0.00 C ATOM 1695 CG2 VAL A 105 10.173 -15.365 3.174 1.00 0.00 C ATOM 0 H VAL A 105 9.397 -13.151 4.109 1.00 0.00 H new ATOM 0 HA VAL A 105 12.211 -12.635 3.729 1.00 0.00 H new ATOM 0 HB VAL A 105 12.251 -15.003 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 105 11.940 -15.989 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 105 12.801 -14.433 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 105 11.079 -14.519 5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 105 10.301 -16.433 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.361 -14.990 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 105 9.933 -15.195 2.124 1.00 0.00 H new ATOM 1705 N ILE A 106 12.387 -12.226 1.321 1.00 0.00 N ATOM 1706 CA ILE A 106 12.518 -11.823 -0.066 1.00 0.00 C ATOM 1707 C ILE A 106 13.922 -12.151 -0.556 1.00 0.00 C ATOM 1708 O ILE A 106 14.821 -12.337 0.264 1.00 0.00 O ATOM 1709 CB ILE A 106 12.262 -10.278 -0.291 1.00 0.00 C ATOM 1710 CG1 ILE A 106 13.345 -9.362 0.371 1.00 0.00 C ATOM 1711 CG2 ILE A 106 10.861 -9.870 0.144 1.00 0.00 C ATOM 1712 CD1 ILE A 106 13.399 -9.381 1.875 1.00 0.00 C ATOM 0 H ILE A 106 13.214 -12.034 1.886 1.00 0.00 H new ATOM 0 HA ILE A 106 11.759 -12.371 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 106 12.346 -10.122 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.323 -9.656 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.171 -8.336 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.724 -8.802 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.124 -10.427 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.731 -10.088 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.186 -8.710 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.440 -9.054 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.610 -10.394 2.219 1.00 0.00 H new ATOM 1724 N PRO A 107 14.134 -12.280 -1.879 1.00 0.00 N ATOM 1725 CA PRO A 107 15.478 -12.418 -2.429 1.00 0.00 C ATOM 1726 C PRO A 107 16.291 -11.141 -2.170 1.00 0.00 C ATOM 1727 O PRO A 107 16.014 -10.078 -2.749 1.00 0.00 O ATOM 1728 CB PRO A 107 15.245 -12.605 -3.936 1.00 0.00 C ATOM 1729 CG PRO A 107 13.828 -13.046 -4.046 1.00 0.00 C ATOM 1730 CD PRO A 107 13.105 -12.367 -2.927 1.00 0.00 C ATOM 0 HA PRO A 107 16.035 -13.242 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.414 -11.677 -4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.925 -13.348 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 107 13.405 -12.768 -5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.748 -14.130 -3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 107 12.741 -11.382 -3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.239 -12.942 -2.597 1.00 0.00 H new ATOM 1738 N GLU A 108 17.226 -11.234 -1.266 1.00 0.00 N ATOM 1739 CA GLU A 108 18.051 -10.117 -0.900 1.00 0.00 C ATOM 1740 C GLU A 108 19.334 -10.215 -1.693 1.00 0.00 C ATOM 1741 O GLU A 108 19.313 -9.897 -2.901 1.00 0.00 O ATOM 1742 CB GLU A 108 18.330 -10.174 0.606 1.00 0.00 C ATOM 1743 CG GLU A 108 17.070 -10.233 1.449 1.00 0.00 C ATOM 1744 CD GLU A 108 17.353 -10.531 2.890 1.00 0.00 C ATOM 1745 OE1 GLU A 108 17.582 -9.603 3.675 1.00 0.00 O ATOM 1746 OE2 GLU A 108 17.337 -11.722 3.273 1.00 0.00 O ATOM 1747 OXT GLU A 108 20.358 -10.682 -1.158 1.00 0.00 O ATOM 0 H GLU A 108 17.438 -12.093 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 108 17.559 -9.169 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.944 -11.048 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.911 -9.298 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.543 -9.281 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 108 16.405 -10.997 1.048 1.00 0.00 H new TER 1754 GLU A 108