USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1000 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot -16:sc= 0.551 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 41 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-5.8!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 9 SER OG : rot 180:sc= -0.0115 USER MOD Set 4.2: A 37 TYR OH : rot -155:sc= -0.382 USER MOD Set 5.1: A 0 MET N :NH3+ -165:sc= -0.015 (180deg=-0.256) USER MOD Set 5.2: A 25 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 0 MET CE :methyl -158:sc= -0.172 (180deg=-0.824) USER MOD Single : A 1 ASN :FLIP amide:sc= -1.81 F(o=-7.9!,f=-1.8) USER MOD Single : A 7 THR OG1 : rot -60:sc= 0.553 USER MOD Single : A 14 MET CE :methyl -144:sc= -1.13 (180deg=-2.6!) USER MOD Single : A 17 THR OG1 : rot 55:sc= -0.0844 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -134:sc= -2.06! (180deg=-4.88!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 150:sc= 0.229 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 44 GLN :FLIP amide:sc= -4.87! C(o=-7.8!,f=-4.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -13.5! C(o=-14!,f=-20!) USER MOD Single : A 50 SER OG : rot -58:sc= 0.275 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0175 USER MOD Single : A 57 ASN :FLIP amide:sc= -6.18! C(o=-7.5!,f=-6.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.72 (180deg=-1.16) USER MOD Single : A 67 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.1) USER MOD Single : A 73 ASN :FLIP amide:sc= -2.12! C(o=-4.4!,f=-2.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 79 LYS NZ :NH3+ -112:sc= 0.612 (180deg=-2.2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -106:sc= 0.932 USER MOD Single : A 86 SER OG : rot 180:sc= 0.174 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.32 F(o=-3.4!,f=-1.3) USER MOD Single : A 91 SER OG : rot -18:sc= 0.526 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -87:sc= 1.32 USER MOD Single : A 104 SER OG : rot -118:sc= -3.13! USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 116 SER OG : rot 97:sc= 0.00549 USER MOD Single : A 117 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.38) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.091) USER MOD Single : A 128 HIS :FLIP no HD1:sc=-0.00649 F(o=-0.72,f=-0.0065) USER MOD Single : A 129 HIS : no HD1:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.00085) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 32.597 -3.768 1.626 1.00 0.00 N ATOM 2 CA MET A 0 32.197 -3.726 0.196 1.00 0.00 C ATOM 3 C MET A 0 31.088 -2.704 -0.031 1.00 0.00 C ATOM 4 O MET A 0 30.060 -2.730 0.643 1.00 0.00 O ATOM 5 CB MET A 0 31.728 -5.110 -0.264 1.00 0.00 C ATOM 6 CG MET A 0 32.820 -6.168 -0.229 1.00 0.00 C ATOM 7 SD MET A 0 34.113 -5.876 -1.453 1.00 0.00 S ATOM 8 CE MET A 0 33.177 -6.016 -2.973 1.00 0.00 C ATOM 0 H1 MET A 0 33.504 -4.268 1.718 1.00 0.00 H new ATOM 0 H2 MET A 0 32.698 -2.798 1.987 1.00 0.00 H new ATOM 0 H3 MET A 0 31.869 -4.268 2.176 1.00 0.00 H new ATOM 0 HA MET A 0 33.067 -3.428 -0.389 1.00 0.00 H new ATOM 0 HB2 MET A 0 30.901 -5.433 0.369 1.00 0.00 H new ATOM 0 HB3 MET A 0 31.341 -5.034 -1.280 1.00 0.00 H new ATOM 0 HG2 MET A 0 33.266 -6.191 0.765 1.00 0.00 H new ATOM 0 HG3 MET A 0 32.376 -7.148 -0.402 1.00 0.00 H new ATOM 0 HE1 MET A 0 33.852 -6.251 -3.796 1.00 0.00 H new ATOM 0 HE2 MET A 0 32.437 -6.810 -2.873 1.00 0.00 H new ATOM 0 HE3 MET A 0 32.671 -5.072 -3.177 1.00 0.00 H new ATOM 20 N ASN A 1 31.307 -1.803 -0.985 1.00 0.00 N ATOM 21 CA ASN A 1 30.327 -0.770 -1.306 1.00 0.00 C ATOM 22 C ASN A 1 29.405 -1.226 -2.433 1.00 0.00 C ATOM 23 O ASN A 1 29.831 -1.933 -3.346 1.00 0.00 O ATOM 24 CB ASN A 1 31.039 0.527 -1.698 1.00 0.00 C ATOM 25 CG ASN A 1 31.487 1.322 -0.488 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.665 2.281 -0.080 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.560 1.083 0.066 1.00 0.00 N flip ATOM 0 H ASN A 1 32.156 -1.768 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 1 29.718 -0.588 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.905 0.291 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.370 1.138 -2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.159 0.335 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 1 32.850 1.633 0.875 1.00 0.00 H new ATOM 34 N CYS A 2 28.139 -0.817 -2.363 1.00 0.00 N ATOM 35 CA CYS A 2 27.159 -1.189 -3.376 1.00 0.00 C ATOM 36 C CYS A 2 26.982 -0.080 -4.406 1.00 0.00 C ATOM 37 O CYS A 2 27.625 0.967 -4.322 1.00 0.00 O ATOM 38 CB CYS A 2 25.812 -1.510 -2.726 1.00 0.00 C ATOM 39 SG CYS A 2 25.746 -3.136 -1.908 1.00 0.00 S ATOM 0 H CYS A 2 27.771 -0.229 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 2 27.532 -2.077 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.582 -0.737 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.034 -1.468 -3.488 1.00 0.00 H new ATOM 44 N GLY A 3 26.105 -0.315 -5.373 1.00 0.00 N ATOM 45 CA GLY A 3 25.834 0.691 -6.382 1.00 0.00 C ATOM 46 C GLY A 3 24.847 1.731 -5.883 1.00 0.00 C ATOM 47 O GLY A 3 24.135 1.484 -4.909 1.00 0.00 O ATOM 0 H GLY A 3 25.577 -1.182 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 3 26.765 1.180 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 3 25.437 0.212 -7.277 1.00 0.00 H new ATOM 51 N PRO A 4 24.786 2.912 -6.526 1.00 0.00 N ATOM 52 CA PRO A 4 23.870 3.987 -6.134 1.00 0.00 C ATOM 53 C PRO A 4 22.488 3.469 -5.743 1.00 0.00 C ATOM 54 O PRO A 4 21.963 2.547 -6.368 1.00 0.00 O ATOM 55 CB PRO A 4 23.797 4.836 -7.399 1.00 0.00 C ATOM 56 CG PRO A 4 25.153 4.700 -8.004 1.00 0.00 C ATOM 57 CD PRO A 4 25.611 3.297 -7.690 1.00 0.00 C ATOM 0 HA PRO A 4 24.214 4.528 -5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.021 4.478 -8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.565 5.876 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.118 4.867 -9.081 1.00 0.00 H new ATOM 0 HG3 PRO A 4 25.841 5.437 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 4 25.452 2.625 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 4 26.675 3.266 -7.455 1.00 0.00 H new ATOM 65 N PRO A 5 21.882 4.060 -4.697 1.00 0.00 N ATOM 66 CA PRO A 5 20.563 3.650 -4.210 1.00 0.00 C ATOM 67 C PRO A 5 19.465 3.856 -5.246 1.00 0.00 C ATOM 68 O PRO A 5 19.111 4.989 -5.571 1.00 0.00 O ATOM 69 CB PRO A 5 20.319 4.554 -2.995 1.00 0.00 C ATOM 70 CG PRO A 5 21.662 5.082 -2.626 1.00 0.00 C ATOM 71 CD PRO A 5 22.432 5.173 -3.909 1.00 0.00 C ATOM 0 HA PRO A 5 20.541 2.586 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.631 5.363 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.875 3.995 -2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.581 6.059 -2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.161 4.421 -1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.282 6.132 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.504 5.063 -3.746 1.00 0.00 H new ATOM 79 N PRO A 6 18.917 2.753 -5.781 1.00 0.00 N ATOM 80 CA PRO A 6 17.844 2.805 -6.777 1.00 0.00 C ATOM 81 C PRO A 6 16.626 3.564 -6.265 1.00 0.00 C ATOM 82 O PRO A 6 16.618 4.151 -5.183 1.00 0.00 O ATOM 83 CB PRO A 6 17.481 1.330 -7.009 1.00 0.00 C ATOM 84 CG PRO A 6 18.110 0.576 -5.887 1.00 0.00 C ATOM 85 CD PRO A 6 19.307 1.371 -5.465 1.00 0.00 C ATOM 0 HA PRO A 6 18.161 3.325 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.400 1.190 -7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.855 0.982 -7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.411 0.456 -5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.401 -0.425 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.521 1.245 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.203 1.070 -6.009 1.00 0.00 H new ATOM 93 N THR A 7 15.596 3.513 -7.100 1.00 0.00 N ATOM 94 CA THR A 7 14.321 4.154 -6.835 1.00 0.00 C ATOM 95 C THR A 7 13.319 3.115 -6.344 1.00 0.00 C ATOM 96 O THR A 7 12.293 2.892 -6.990 1.00 0.00 O ATOM 97 CB THR A 7 13.786 4.820 -8.115 1.00 0.00 C ATOM 98 OG1 THR A 7 12.501 5.402 -7.873 1.00 0.00 O ATOM 99 CG2 THR A 7 13.691 3.816 -9.256 1.00 0.00 C ATOM 0 H THR A 7 15.626 3.018 -7.991 1.00 0.00 H new ATOM 0 HA THR A 7 14.461 4.917 -6.070 1.00 0.00 H new ATOM 0 HB THR A 7 14.487 5.604 -8.403 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.872 4.703 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.310 4.314 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.680 3.406 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.015 3.008 -8.975 1.00 0.00 H new ATOM 107 N LEU A 8 13.606 2.467 -5.216 1.00 0.00 N ATOM 108 CA LEU A 8 12.713 1.426 -4.716 1.00 0.00 C ATOM 109 C LEU A 8 11.271 1.901 -4.792 1.00 0.00 C ATOM 110 O LEU A 8 10.918 2.909 -4.201 1.00 0.00 O ATOM 111 CB LEU A 8 13.056 1.074 -3.271 1.00 0.00 C ATOM 112 CG LEU A 8 14.393 0.364 -3.072 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.553 1.308 -3.348 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.481 -0.190 -1.661 1.00 0.00 C ATOM 0 H LEU A 8 14.432 2.640 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 8 12.838 0.538 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.059 1.991 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.264 0.441 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 8 14.456 -0.462 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.495 0.780 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.495 1.665 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.502 2.157 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.438 -0.695 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.398 0.627 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.670 -0.900 -1.498 1.00 0.00 H new ATOM 126 N SER A 9 10.444 1.182 -5.525 1.00 0.00 N ATOM 127 CA SER A 9 9.050 1.571 -5.673 1.00 0.00 C ATOM 128 C SER A 9 8.339 1.653 -4.323 1.00 0.00 C ATOM 129 O SER A 9 7.625 2.618 -4.049 1.00 0.00 O ATOM 130 CB SER A 9 8.321 0.585 -6.589 1.00 0.00 C ATOM 131 OG SER A 9 8.319 -0.719 -6.035 1.00 0.00 O ATOM 0 H SER A 9 10.707 0.332 -6.024 1.00 0.00 H new ATOM 0 HA SER A 9 9.031 2.565 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.295 0.919 -6.745 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.803 0.568 -7.567 1.00 0.00 H new ATOM 0 HG SER A 9 7.846 -1.330 -6.638 1.00 0.00 H new ATOM 137 N PHE A 10 8.552 0.651 -3.475 1.00 0.00 N ATOM 138 CA PHE A 10 7.901 0.602 -2.166 1.00 0.00 C ATOM 139 C PHE A 10 8.392 1.704 -1.227 1.00 0.00 C ATOM 140 O PHE A 10 7.914 1.814 -0.098 1.00 0.00 O ATOM 141 CB PHE A 10 8.122 -0.759 -1.500 1.00 0.00 C ATOM 142 CG PHE A 10 8.437 -1.877 -2.453 1.00 0.00 C ATOM 143 CD1 PHE A 10 7.457 -2.402 -3.281 1.00 0.00 C ATOM 144 CD2 PHE A 10 9.714 -2.411 -2.510 1.00 0.00 C ATOM 145 CE1 PHE A 10 7.747 -3.437 -4.149 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.010 -3.446 -3.375 1.00 0.00 C ATOM 147 CZ PHE A 10 9.026 -3.961 -4.196 1.00 0.00 C ATOM 0 H PHE A 10 9.169 -0.138 -3.669 1.00 0.00 H new ATOM 0 HA PHE A 10 6.838 0.759 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.938 -0.670 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.228 -1.022 -0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.456 -1.998 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.488 -2.013 -1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.975 -3.837 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.010 -3.852 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.255 -4.771 -4.873 1.00 0.00 H new ATOM 157 N ALA A 11 9.338 2.519 -1.682 1.00 0.00 N ATOM 158 CA ALA A 11 9.875 3.583 -0.838 1.00 0.00 C ATOM 159 C ALA A 11 10.460 4.737 -1.642 1.00 0.00 C ATOM 160 O ALA A 11 10.728 4.643 -2.832 1.00 0.00 O ATOM 161 CB ALA A 11 10.958 3.004 0.053 1.00 0.00 C ATOM 0 H ALA A 11 9.744 2.466 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 11 9.048 3.982 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.366 3.791 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.534 2.218 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.753 2.587 -0.565 1.00 0.00 H new ATOM 167 N ALA A 12 10.626 5.845 -0.935 1.00 0.00 N ATOM 168 CA ALA A 12 11.254 7.025 -1.502 1.00 0.00 C ATOM 169 C ALA A 12 12.306 7.555 -0.529 1.00 0.00 C ATOM 170 O ALA A 12 12.348 7.127 0.624 1.00 0.00 O ATOM 171 CB ALA A 12 10.219 8.095 -1.813 1.00 0.00 C ATOM 0 H ALA A 12 10.333 5.950 0.036 1.00 0.00 H new ATOM 0 HA ALA A 12 11.738 6.754 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.715 8.968 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.496 7.705 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.703 8.380 -0.896 1.00 0.00 H new ATOM 177 N PRO A 13 13.166 8.494 -0.958 1.00 0.00 N ATOM 178 CA PRO A 13 14.211 9.044 -0.088 1.00 0.00 C ATOM 179 C PRO A 13 13.620 9.861 1.057 1.00 0.00 C ATOM 180 O PRO A 13 12.571 10.487 0.913 1.00 0.00 O ATOM 181 CB PRO A 13 15.036 9.932 -1.024 1.00 0.00 C ATOM 182 CG PRO A 13 14.124 10.265 -2.157 1.00 0.00 C ATOM 183 CD PRO A 13 13.173 9.107 -2.299 1.00 0.00 C ATOM 0 HA PRO A 13 14.803 8.263 0.390 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.374 10.834 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.927 9.412 -1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.582 11.190 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.689 10.418 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.177 9.440 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.510 8.403 -3.059 1.00 0.00 H new ATOM 191 N MET A 14 14.310 9.845 2.200 1.00 0.00 N ATOM 192 CA MET A 14 13.839 10.577 3.369 1.00 0.00 C ATOM 193 C MET A 14 14.941 11.432 3.979 1.00 0.00 C ATOM 194 O MET A 14 14.730 12.606 4.285 1.00 0.00 O ATOM 195 CB MET A 14 13.299 9.601 4.416 1.00 0.00 C ATOM 196 CG MET A 14 12.568 10.272 5.569 1.00 0.00 C ATOM 197 SD MET A 14 11.040 11.082 5.054 1.00 0.00 S ATOM 198 CE MET A 14 11.630 12.736 4.697 1.00 0.00 C ATOM 0 H MET A 14 15.185 9.339 2.337 1.00 0.00 H new ATOM 0 HA MET A 14 13.040 11.243 3.043 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.621 8.900 3.929 1.00 0.00 H new ATOM 0 HB3 MET A 14 14.128 9.017 4.816 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.339 9.527 6.331 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.226 11.008 6.031 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.872 13.463 4.987 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.546 12.924 5.257 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.831 12.828 3.630 1.00 0.00 H new ATOM 208 N ASP A 15 16.115 10.845 4.151 1.00 0.00 N ATOM 209 CA ASP A 15 17.237 11.561 4.748 1.00 0.00 C ATOM 210 C ASP A 15 18.558 10.831 4.524 1.00 0.00 C ATOM 211 O ASP A 15 19.493 10.968 5.313 1.00 0.00 O ATOM 212 CB ASP A 15 16.986 11.732 6.244 1.00 0.00 C ATOM 213 CG ASP A 15 17.917 12.743 6.885 1.00 0.00 C ATOM 214 OD1 ASP A 15 17.694 13.958 6.697 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.870 12.320 7.574 1.00 0.00 O ATOM 0 H ASP A 15 16.318 9.880 3.888 1.00 0.00 H new ATOM 0 HA ASP A 15 17.314 12.536 4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.954 12.045 6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.106 10.769 6.740 1.00 0.00 H new ATOM 220 N ILE A 16 18.637 10.063 3.445 1.00 0.00 N ATOM 221 CA ILE A 16 19.845 9.321 3.128 1.00 0.00 C ATOM 222 C ILE A 16 20.913 10.240 2.554 1.00 0.00 C ATOM 223 O ILE A 16 21.970 9.787 2.113 1.00 0.00 O ATOM 224 CB ILE A 16 19.542 8.192 2.127 1.00 0.00 C ATOM 225 CG1 ILE A 16 19.654 8.692 0.682 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.155 7.631 2.384 1.00 0.00 C ATOM 227 CD1 ILE A 16 19.297 7.649 -0.357 1.00 0.00 C ATOM 0 H ILE A 16 17.877 9.939 2.776 1.00 0.00 H new ATOM 0 HA ILE A 16 20.219 8.885 4.054 1.00 0.00 H new ATOM 0 HB ILE A 16 20.279 7.402 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 16 19.001 9.556 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 16 20.674 9.034 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 17.948 6.832 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.105 7.235 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 16 17.415 8.423 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 16 19.400 8.078 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 16 19.966 6.794 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 16 18.268 7.324 -0.207 1.00 0.00 H new ATOM 239 N THR A 17 20.624 11.534 2.588 1.00 0.00 N ATOM 240 CA THR A 17 21.524 12.551 2.061 1.00 0.00 C ATOM 241 C THR A 17 22.228 12.084 0.803 1.00 0.00 C ATOM 242 O THR A 17 23.384 11.664 0.843 1.00 0.00 O ATOM 243 CB THR A 17 22.595 12.969 3.071 1.00 0.00 C ATOM 244 OG1 THR A 17 22.977 11.851 3.880 1.00 0.00 O ATOM 245 CG2 THR A 17 22.106 14.108 3.951 1.00 0.00 C ATOM 0 H THR A 17 19.760 11.908 2.981 1.00 0.00 H new ATOM 0 HA THR A 17 20.886 13.406 1.837 1.00 0.00 H new ATOM 0 HB THR A 17 23.464 13.320 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.260 11.111 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.888 14.383 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.860 14.969 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.218 13.790 4.498 1.00 0.00 H new ATOM 253 N LEU A 18 21.523 12.149 -0.307 1.00 0.00 N ATOM 254 CA LEU A 18 22.075 11.752 -1.577 1.00 0.00 C ATOM 255 C LEU A 18 23.140 12.739 -2.019 1.00 0.00 C ATOM 256 O LEU A 18 22.876 13.660 -2.793 1.00 0.00 O ATOM 257 CB LEU A 18 20.964 11.677 -2.595 1.00 0.00 C ATOM 258 CG LEU A 18 19.924 10.607 -2.308 1.00 0.00 C ATOM 259 CD1 LEU A 18 18.736 11.235 -1.614 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.505 9.913 -3.590 1.00 0.00 C ATOM 0 H LEU A 18 20.558 12.477 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 18 22.542 10.772 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.467 12.646 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.399 11.490 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 18 20.355 9.851 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.989 10.469 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.060 11.688 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.302 12.001 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.760 9.150 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.079 10.644 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.375 9.445 -4.051 1.00 0.00 H new ATOM 272 N THR A 19 24.344 12.542 -1.510 1.00 0.00 N ATOM 273 CA THR A 19 25.460 13.417 -1.822 1.00 0.00 C ATOM 274 C THR A 19 26.688 12.600 -2.193 1.00 0.00 C ATOM 275 O THR A 19 27.685 13.134 -2.681 1.00 0.00 O ATOM 276 CB THR A 19 25.791 14.325 -0.624 1.00 0.00 C ATOM 277 OG1 THR A 19 26.401 13.558 0.420 1.00 0.00 O ATOM 278 CG2 THR A 19 24.529 14.993 -0.095 1.00 0.00 C ATOM 0 H THR A 19 24.574 11.778 -0.874 1.00 0.00 H new ATOM 0 HA THR A 19 25.173 14.039 -2.670 1.00 0.00 H new ATOM 0 HB THR A 19 26.485 15.096 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.610 14.144 1.177 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.783 15.631 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.080 15.597 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.820 14.229 0.226 1.00 0.00 H new ATOM 286 N GLU A 20 26.602 11.297 -1.954 1.00 0.00 N ATOM 287 CA GLU A 20 27.693 10.385 -2.261 1.00 0.00 C ATOM 288 C GLU A 20 27.345 9.522 -3.469 1.00 0.00 C ATOM 289 O GLU A 20 26.397 9.816 -4.199 1.00 0.00 O ATOM 290 CB GLU A 20 27.996 9.514 -1.042 1.00 0.00 C ATOM 291 CG GLU A 20 26.849 8.609 -0.640 1.00 0.00 C ATOM 292 CD GLU A 20 27.017 8.043 0.755 1.00 0.00 C ATOM 293 OE1 GLU A 20 27.918 7.201 0.951 1.00 0.00 O ATOM 294 OE2 GLU A 20 26.247 8.444 1.654 1.00 0.00 O ATOM 0 H GLU A 20 25.782 10.848 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 20 28.582 10.965 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 20 28.873 8.902 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.251 10.158 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.915 9.168 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 20 26.770 7.789 -1.354 1.00 0.00 H new ATOM 301 N THR A 21 28.113 8.460 -3.682 1.00 0.00 N ATOM 302 CA THR A 21 27.881 7.571 -4.817 1.00 0.00 C ATOM 303 C THR A 21 27.840 6.105 -4.405 1.00 0.00 C ATOM 304 O THR A 21 27.089 5.312 -4.972 1.00 0.00 O ATOM 305 CB THR A 21 28.969 7.744 -5.884 1.00 0.00 C ATOM 306 OG1 THR A 21 30.253 7.865 -5.262 1.00 0.00 O ATOM 307 CG2 THR A 21 28.696 8.965 -6.747 1.00 0.00 C ATOM 0 H THR A 21 28.898 8.193 -3.088 1.00 0.00 H new ATOM 0 HA THR A 21 26.909 7.849 -5.224 1.00 0.00 H new ATOM 0 HB THR A 21 28.960 6.862 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.941 7.973 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.482 9.065 -7.495 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.733 8.851 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.677 9.857 -6.120 1.00 0.00 H new ATOM 315 N ARG A 22 28.654 5.751 -3.422 1.00 0.00 N ATOM 316 CA ARG A 22 28.720 4.374 -2.939 1.00 0.00 C ATOM 317 C ARG A 22 28.349 4.300 -1.465 1.00 0.00 C ATOM 318 O ARG A 22 28.338 5.315 -0.769 1.00 0.00 O ATOM 319 CB ARG A 22 30.116 3.799 -3.151 1.00 0.00 C ATOM 320 CG ARG A 22 30.571 3.811 -4.601 1.00 0.00 C ATOM 321 CD ARG A 22 31.984 3.269 -4.746 1.00 0.00 C ATOM 322 NE ARG A 22 32.072 1.859 -4.376 1.00 0.00 N ATOM 323 CZ ARG A 22 33.175 1.128 -4.512 1.00 0.00 C ATOM 324 NH1 ARG A 22 34.279 1.673 -5.006 1.00 0.00 N ATOM 325 NH2 ARG A 22 33.177 -0.149 -4.154 1.00 0.00 N ATOM 0 H ARG A 22 29.280 6.397 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 22 28.003 3.783 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.828 4.367 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.136 2.774 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 22 29.887 3.213 -5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.529 4.829 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.316 3.394 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.661 3.851 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 22 31.241 1.409 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.283 2.655 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 22 35.123 1.110 -5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.331 -0.573 -3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.024 -0.707 -4.260 1.00 0.00 H new ATOM 339 N PHE A 23 28.050 3.092 -0.990 1.00 0.00 N ATOM 340 CA PHE A 23 27.649 2.859 0.395 1.00 0.00 C ATOM 341 C PHE A 23 28.131 1.474 0.834 1.00 0.00 C ATOM 342 O PHE A 23 27.685 0.460 0.298 1.00 0.00 O ATOM 343 CB PHE A 23 26.122 2.934 0.535 1.00 0.00 C ATOM 344 CG PHE A 23 25.489 4.199 0.019 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.493 4.493 -1.333 1.00 0.00 C ATOM 346 CD2 PHE A 23 24.877 5.089 0.890 1.00 0.00 C ATOM 347 CE1 PHE A 23 24.911 5.646 -1.810 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.288 6.246 0.417 1.00 0.00 C ATOM 349 CZ PHE A 23 24.305 6.525 -0.935 1.00 0.00 C ATOM 0 H PHE A 23 28.079 2.245 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 23 28.096 3.628 1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 23 25.683 2.087 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 23 25.864 2.822 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.960 3.808 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.861 4.875 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.929 5.863 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 23 23.815 6.932 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 23 23.845 7.429 -1.307 1.00 0.00 H new ATOM 359 N LYS A 24 29.041 1.433 1.803 1.00 0.00 N ATOM 360 CA LYS A 24 29.597 0.164 2.282 1.00 0.00 C ATOM 361 C LYS A 24 28.518 -0.806 2.749 1.00 0.00 C ATOM 362 O LYS A 24 27.353 -0.439 2.882 1.00 0.00 O ATOM 363 CB LYS A 24 30.585 0.401 3.421 1.00 0.00 C ATOM 364 CG LYS A 24 30.107 1.430 4.435 1.00 0.00 C ATOM 365 CD LYS A 24 31.164 1.725 5.490 1.00 0.00 C ATOM 366 CE LYS A 24 32.344 2.492 4.910 1.00 0.00 C ATOM 367 NZ LYS A 24 33.260 1.612 4.133 1.00 0.00 N ATOM 0 H LYS A 24 29.410 2.259 2.273 1.00 0.00 H new ATOM 0 HA LYS A 24 30.112 -0.286 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.770 -0.543 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.537 0.729 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.843 2.353 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.201 1.067 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.718 2.303 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.517 0.789 5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.975 3.289 4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.899 2.967 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.245 1.812 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.041 0.616 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.135 1.792 3.116 1.00 0.00 H new ATOM 381 N THR A 25 28.924 -2.046 3.004 1.00 0.00 N ATOM 382 CA THR A 25 27.999 -3.078 3.446 1.00 0.00 C ATOM 383 C THR A 25 27.564 -2.863 4.888 1.00 0.00 C ATOM 384 O THR A 25 26.766 -3.629 5.428 1.00 0.00 O ATOM 385 CB THR A 25 28.611 -4.476 3.322 1.00 0.00 C ATOM 386 OG1 THR A 25 30.004 -4.437 3.656 1.00 0.00 O ATOM 387 CG2 THR A 25 28.426 -5.048 1.916 1.00 0.00 C ATOM 0 H THR A 25 29.890 -2.359 2.911 1.00 0.00 H new ATOM 0 HA THR A 25 27.129 -3.006 2.793 1.00 0.00 H new ATOM 0 HB THR A 25 28.090 -5.130 4.021 1.00 0.00 H new ATOM 0 HG1 THR A 25 30.385 -5.336 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 25 28.873 -6.041 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 25 27.362 -5.117 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 25 28.911 -4.395 1.191 1.00 0.00 H new ATOM 395 N GLY A 26 28.091 -1.818 5.505 1.00 0.00 N ATOM 396 CA GLY A 26 27.737 -1.517 6.879 1.00 0.00 C ATOM 397 C GLY A 26 26.771 -0.357 6.957 1.00 0.00 C ATOM 398 O GLY A 26 26.179 -0.091 8.003 1.00 0.00 O ATOM 0 H GLY A 26 28.757 -1.172 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.290 -2.397 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.638 -1.281 7.445 1.00 0.00 H new ATOM 402 N THR A 27 26.621 0.330 5.833 1.00 0.00 N ATOM 403 CA THR A 27 25.732 1.483 5.733 1.00 0.00 C ATOM 404 C THR A 27 24.270 1.069 5.862 1.00 0.00 C ATOM 405 O THR A 27 23.955 -0.120 5.913 1.00 0.00 O ATOM 406 CB THR A 27 25.919 2.215 4.393 1.00 0.00 C ATOM 407 OG1 THR A 27 25.387 3.543 4.480 1.00 0.00 O ATOM 408 CG2 THR A 27 25.226 1.459 3.270 1.00 0.00 C ATOM 0 H THR A 27 27.110 0.106 4.966 1.00 0.00 H new ATOM 0 HA THR A 27 25.992 2.152 6.553 1.00 0.00 H new ATOM 0 HB THR A 27 26.986 2.267 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.512 4.002 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.369 1.992 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.651 0.459 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.160 1.384 3.486 1.00 0.00 H new ATOM 416 N THR A 28 23.381 2.061 5.905 1.00 0.00 N ATOM 417 CA THR A 28 21.947 1.805 6.016 1.00 0.00 C ATOM 418 C THR A 28 21.130 3.053 5.678 1.00 0.00 C ATOM 419 O THR A 28 21.359 4.126 6.235 1.00 0.00 O ATOM 420 CB THR A 28 21.556 1.327 7.430 1.00 0.00 C ATOM 421 OG1 THR A 28 22.285 0.143 7.772 1.00 0.00 O ATOM 422 CG2 THR A 28 20.064 1.040 7.511 1.00 0.00 C ATOM 0 H THR A 28 23.630 3.049 5.865 1.00 0.00 H new ATOM 0 HA THR A 28 21.722 1.016 5.299 1.00 0.00 H new ATOM 0 HB THR A 28 21.802 2.122 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.672 -0.248 6.961 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.812 0.705 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.506 1.948 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.804 0.262 6.793 1.00 0.00 H new ATOM 430 N LEU A 29 20.179 2.899 4.760 1.00 0.00 N ATOM 431 CA LEU A 29 19.337 4.012 4.328 1.00 0.00 C ATOM 432 C LEU A 29 18.139 4.195 5.260 1.00 0.00 C ATOM 433 O LEU A 29 18.108 3.655 6.366 1.00 0.00 O ATOM 434 CB LEU A 29 18.833 3.778 2.896 1.00 0.00 C ATOM 435 CG LEU A 29 19.903 3.761 1.794 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.676 5.071 1.762 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.849 2.588 1.981 1.00 0.00 C ATOM 0 H LEU A 29 19.972 2.013 4.300 1.00 0.00 H new ATOM 0 HA LEU A 29 19.946 4.916 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.301 2.827 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.107 4.556 2.657 1.00 0.00 H new ATOM 0 HG LEU A 29 19.395 3.645 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.427 5.031 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.989 5.894 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.167 5.227 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.599 2.595 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.343 2.670 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.286 1.656 1.938 1.00 0.00 H new ATOM 449 N LYS A 30 17.157 4.964 4.795 1.00 0.00 N ATOM 450 CA LYS A 30 15.942 5.224 5.562 1.00 0.00 C ATOM 451 C LYS A 30 14.716 4.849 4.740 1.00 0.00 C ATOM 452 O LYS A 30 14.105 3.801 4.956 1.00 0.00 O ATOM 453 CB LYS A 30 15.859 6.697 5.971 1.00 0.00 C ATOM 454 CG LYS A 30 14.925 6.948 7.145 1.00 0.00 C ATOM 455 CD LYS A 30 15.382 6.203 8.391 1.00 0.00 C ATOM 456 CE LYS A 30 14.352 6.289 9.506 1.00 0.00 C ATOM 457 NZ LYS A 30 14.789 5.547 10.720 1.00 0.00 N ATOM 0 H LYS A 30 17.180 5.421 3.883 1.00 0.00 H new ATOM 0 HA LYS A 30 15.973 4.615 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.857 7.051 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.523 7.285 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.881 8.017 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.915 6.633 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.564 5.157 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.329 6.618 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.179 7.334 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.402 5.885 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.061 5.629 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.930 4.544 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.682 5.949 11.069 1.00 0.00 H new ATOM 471 N TYR A 31 14.371 5.716 3.794 1.00 0.00 N ATOM 472 CA TYR A 31 13.231 5.493 2.913 1.00 0.00 C ATOM 473 C TYR A 31 11.911 5.449 3.679 1.00 0.00 C ATOM 474 O TYR A 31 11.818 4.872 4.762 1.00 0.00 O ATOM 475 CB TYR A 31 13.421 4.199 2.119 1.00 0.00 C ATOM 476 CG TYR A 31 14.381 4.337 0.959 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.749 4.193 1.145 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.918 4.609 -0.322 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.630 4.317 0.087 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.790 4.735 -1.385 1.00 0.00 C ATOM 481 CZ TYR A 31 16.145 4.589 -1.176 1.00 0.00 C ATOM 482 OH TYR A 31 17.018 4.713 -2.232 1.00 0.00 O ATOM 0 H TYR A 31 14.870 6.588 3.617 1.00 0.00 H new ATOM 0 HA TYR A 31 13.182 6.338 2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.784 3.421 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.453 3.868 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.131 3.981 2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.857 4.724 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.692 4.202 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.413 4.947 -2.375 1.00 0.00 H new ATOM 0 HH TYR A 31 16.574 4.431 -3.059 1.00 0.00 H new ATOM 492 N THR A 32 10.889 6.072 3.097 1.00 0.00 N ATOM 493 CA THR A 32 9.562 6.108 3.702 1.00 0.00 C ATOM 494 C THR A 32 8.552 5.371 2.825 1.00 0.00 C ATOM 495 O THR A 32 8.725 5.282 1.609 1.00 0.00 O ATOM 496 CB THR A 32 9.089 7.555 3.934 1.00 0.00 C ATOM 497 OG1 THR A 32 7.658 7.608 3.969 1.00 0.00 O ATOM 498 CG2 THR A 32 9.616 8.478 2.846 1.00 0.00 C ATOM 0 H THR A 32 10.956 6.560 2.204 1.00 0.00 H new ATOM 0 HA THR A 32 9.630 5.609 4.669 1.00 0.00 H new ATOM 0 HB THR A 32 9.483 7.892 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.368 8.532 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.269 9.494 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.706 8.460 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.252 8.141 1.875 1.00 0.00 H new ATOM 506 N CYS A 33 7.497 4.844 3.441 1.00 0.00 N ATOM 507 CA CYS A 33 6.483 4.093 2.707 1.00 0.00 C ATOM 508 C CYS A 33 5.211 4.904 2.471 1.00 0.00 C ATOM 509 O CYS A 33 4.545 5.358 3.401 1.00 0.00 O ATOM 510 CB CYS A 33 6.137 2.810 3.459 1.00 0.00 C ATOM 511 SG CYS A 33 6.850 1.306 2.721 1.00 0.00 S ATOM 0 H CYS A 33 7.322 4.923 4.443 1.00 0.00 H new ATOM 0 HA CYS A 33 6.907 3.855 1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.486 2.898 4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.053 2.705 3.498 1.00 0.00 H new ATOM 516 N LEU A 34 4.917 5.066 1.181 1.00 0.00 N ATOM 517 CA LEU A 34 3.757 5.820 0.730 1.00 0.00 C ATOM 518 C LEU A 34 2.498 5.394 1.489 1.00 0.00 C ATOM 519 O LEU A 34 2.405 4.266 1.972 1.00 0.00 O ATOM 520 CB LEU A 34 3.575 5.670 -0.783 1.00 0.00 C ATOM 521 CG LEU A 34 4.864 5.834 -1.602 1.00 0.00 C ATOM 522 CD1 LEU A 34 4.561 5.824 -3.093 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.589 7.116 -1.217 1.00 0.00 C ATOM 0 H LEU A 34 5.478 4.677 0.423 1.00 0.00 H new ATOM 0 HA LEU A 34 3.927 6.875 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.152 4.687 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.848 6.407 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 34 5.515 4.989 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.488 5.942 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.091 4.878 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.886 6.645 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.499 7.211 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.941 7.972 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.847 7.084 -0.158 1.00 0.00 H new ATOM 535 N PRO A 35 1.521 6.312 1.595 1.00 0.00 N ATOM 536 CA PRO A 35 0.263 6.111 2.313 1.00 0.00 C ATOM 537 C PRO A 35 -0.232 4.667 2.421 1.00 0.00 C ATOM 538 O PRO A 35 -0.009 3.999 3.431 1.00 0.00 O ATOM 539 CB PRO A 35 -0.707 6.945 1.485 1.00 0.00 C ATOM 540 CG PRO A 35 0.107 8.098 0.991 1.00 0.00 C ATOM 541 CD PRO A 35 1.556 7.660 0.997 1.00 0.00 C ATOM 0 HA PRO A 35 0.371 6.392 3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.118 6.368 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.550 7.285 2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.204 8.385 -0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.034 8.970 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.970 7.638 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.176 8.340 1.582 1.00 0.00 H new ATOM 549 N GLY A 36 -0.904 4.200 1.379 1.00 0.00 N ATOM 550 CA GLY A 36 -1.495 2.867 1.402 1.00 0.00 C ATOM 551 C GLY A 36 -0.563 1.728 1.041 1.00 0.00 C ATOM 552 O GLY A 36 -0.915 0.569 1.256 1.00 0.00 O ATOM 0 H GLY A 36 -1.054 4.718 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.893 2.684 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.340 2.852 0.714 1.00 0.00 H new ATOM 556 N TYR A 37 0.604 2.043 0.489 1.00 0.00 N ATOM 557 CA TYR A 37 1.566 1.025 0.087 1.00 0.00 C ATOM 558 C TYR A 37 1.427 -0.273 0.861 1.00 0.00 C ATOM 559 O TYR A 37 1.928 -0.424 1.976 1.00 0.00 O ATOM 560 CB TYR A 37 3.002 1.542 0.184 1.00 0.00 C ATOM 561 CG TYR A 37 3.726 1.461 -1.137 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.018 0.234 -1.716 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.085 2.608 -1.820 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.653 0.154 -2.938 1.00 0.00 C ATOM 565 CE2 TYR A 37 4.717 2.539 -3.048 1.00 0.00 C ATOM 566 CZ TYR A 37 4.997 1.310 -3.602 1.00 0.00 C ATOM 567 OH TYR A 37 5.618 1.234 -4.828 1.00 0.00 O ATOM 0 H TYR A 37 0.907 3.000 0.309 1.00 0.00 H new ATOM 0 HA TYR A 37 1.336 0.802 -0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.992 2.576 0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.545 0.963 0.931 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.743 -0.674 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.868 3.574 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.879 -0.809 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.990 3.444 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 37 6.139 2.050 -4.982 1.00 0.00 H new ATOM 577 N VAL A 38 0.708 -1.191 0.231 1.00 0.00 N ATOM 578 CA VAL A 38 0.532 -2.520 0.792 1.00 0.00 C ATOM 579 C VAL A 38 1.859 -3.073 1.300 1.00 0.00 C ATOM 580 O VAL A 38 2.912 -2.559 0.944 1.00 0.00 O ATOM 581 CB VAL A 38 -0.087 -3.456 -0.253 1.00 0.00 C ATOM 582 CG1 VAL A 38 -0.204 -4.867 0.281 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.446 -2.919 -0.668 1.00 0.00 C ATOM 0 H VAL A 38 0.240 -1.040 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.148 -2.452 1.641 1.00 0.00 H new ATOM 0 HB VAL A 38 0.565 -3.492 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.646 -5.509 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.786 -5.241 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.837 -4.869 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.888 -3.583 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.098 -2.865 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.329 -1.923 -1.095 1.00 0.00 H new ATOM 593 N ARG A 39 1.824 -4.103 2.135 1.00 0.00 N ATOM 594 CA ARG A 39 3.068 -4.656 2.654 1.00 0.00 C ATOM 595 C ARG A 39 2.988 -6.153 2.927 1.00 0.00 C ATOM 596 O ARG A 39 1.915 -6.706 3.170 1.00 0.00 O ATOM 597 CB ARG A 39 3.487 -3.917 3.929 1.00 0.00 C ATOM 598 CG ARG A 39 2.324 -3.507 4.822 1.00 0.00 C ATOM 599 CD ARG A 39 1.574 -4.709 5.374 1.00 0.00 C ATOM 600 NE ARG A 39 2.438 -5.584 6.163 1.00 0.00 N ATOM 601 CZ ARG A 39 1.989 -6.406 7.109 1.00 0.00 C ATOM 602 NH1 ARG A 39 0.694 -6.448 7.397 1.00 0.00 N ATOM 603 NH2 ARG A 39 2.836 -7.183 7.769 1.00 0.00 N ATOM 0 H ARG A 39 0.973 -4.562 2.461 1.00 0.00 H new ATOM 0 HA ARG A 39 3.819 -4.513 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.162 -4.554 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.049 -3.026 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.698 -2.903 5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.636 -2.880 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.745 -4.365 5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.142 -5.276 4.549 1.00 0.00 H new ATOM 0 HE ARG A 39 3.441 -5.564 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.040 -5.849 6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.353 -7.079 8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.832 -7.151 7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.492 -7.813 8.494 1.00 0.00 H new ATOM 617 N SER A 40 4.151 -6.793 2.870 1.00 0.00 N ATOM 618 CA SER A 40 4.272 -8.220 3.129 1.00 0.00 C ATOM 619 C SER A 40 5.121 -8.444 4.378 1.00 0.00 C ATOM 620 O SER A 40 5.085 -9.512 4.988 1.00 0.00 O ATOM 621 CB SER A 40 4.905 -8.928 1.928 1.00 0.00 C ATOM 622 OG SER A 40 5.032 -10.321 2.162 1.00 0.00 O ATOM 0 H SER A 40 5.034 -6.336 2.643 1.00 0.00 H new ATOM 0 HA SER A 40 3.278 -8.637 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.295 -8.760 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.887 -8.500 1.726 1.00 0.00 H new ATOM 0 HG SER A 40 5.437 -10.749 1.379 1.00 0.00 H new ATOM 628 N HIS A 41 5.884 -7.415 4.748 1.00 0.00 N ATOM 629 CA HIS A 41 6.744 -7.470 5.925 1.00 0.00 C ATOM 630 C HIS A 41 6.512 -6.249 6.821 1.00 0.00 C ATOM 631 O HIS A 41 5.494 -6.171 7.507 1.00 0.00 O ATOM 632 CB HIS A 41 8.216 -7.563 5.514 1.00 0.00 C ATOM 633 CG HIS A 41 8.594 -8.887 4.926 1.00 0.00 C ATOM 634 ND1 HIS A 41 8.251 -9.270 3.646 1.00 0.00 N ATOM 635 CD2 HIS A 41 9.294 -9.922 5.450 1.00 0.00 C ATOM 636 CE1 HIS A 41 8.724 -10.481 3.409 1.00 0.00 C ATOM 637 NE2 HIS A 41 9.361 -10.897 4.488 1.00 0.00 N ATOM 0 H HIS A 41 5.922 -6.529 4.244 1.00 0.00 H new ATOM 0 HA HIS A 41 6.489 -8.365 6.492 1.00 0.00 H new ATOM 0 HB2 HIS A 41 8.432 -6.778 4.789 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.841 -7.371 6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 41 9.720 -9.970 6.441 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.609 -11.036 2.490 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.828 -11.798 4.590 1.00 0.00 H new ATOM 646 N SER A 42 7.449 -5.294 6.806 1.00 0.00 N ATOM 647 CA SER A 42 7.322 -4.083 7.624 1.00 0.00 C ATOM 648 C SER A 42 8.568 -3.208 7.542 1.00 0.00 C ATOM 649 O SER A 42 8.582 -2.195 6.841 1.00 0.00 O ATOM 650 CB SER A 42 7.052 -4.448 9.084 1.00 0.00 C ATOM 651 OG SER A 42 6.946 -3.286 9.888 1.00 0.00 O ATOM 0 H SER A 42 8.297 -5.335 6.241 1.00 0.00 H new ATOM 0 HA SER A 42 6.481 -3.516 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.131 -5.027 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.856 -5.081 9.459 1.00 0.00 H new ATOM 0 HG SER A 42 6.772 -3.546 10.817 1.00 0.00 H new ATOM 657 N THR A 43 9.600 -3.608 8.278 1.00 0.00 N ATOM 658 CA THR A 43 10.869 -2.881 8.322 1.00 0.00 C ATOM 659 C THR A 43 11.211 -2.259 6.974 1.00 0.00 C ATOM 660 O THR A 43 11.020 -2.878 5.929 1.00 0.00 O ATOM 661 CB THR A 43 12.023 -3.805 8.734 1.00 0.00 C ATOM 662 OG1 THR A 43 11.690 -4.502 9.941 1.00 0.00 O ATOM 663 CG2 THR A 43 13.304 -3.012 8.937 1.00 0.00 C ATOM 0 H THR A 43 9.583 -4.445 8.861 1.00 0.00 H new ATOM 0 HA THR A 43 10.744 -2.090 9.062 1.00 0.00 H new ATOM 0 HB THR A 43 12.183 -4.527 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.432 -5.090 10.194 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.108 -3.688 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.572 -2.509 8.008 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.152 -2.270 9.721 1.00 0.00 H new ATOM 671 N GLN A 44 11.737 -1.040 7.012 1.00 0.00 N ATOM 672 CA GLN A 44 12.100 -0.326 5.794 1.00 0.00 C ATOM 673 C GLN A 44 13.510 0.257 5.896 1.00 0.00 C ATOM 674 O GLN A 44 13.686 1.406 6.300 1.00 0.00 O ATOM 675 CB GLN A 44 11.083 0.787 5.535 1.00 0.00 C ATOM 676 CG GLN A 44 11.231 1.457 4.181 1.00 0.00 C ATOM 677 CD GLN A 44 10.131 2.467 3.920 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.708 2.566 2.668 1.00 0.00 O flip ATOM 679 NE2 GLN A 44 9.659 3.140 4.836 1.00 0.00 N flip ATOM 0 H GLN A 44 11.922 -0.526 7.873 1.00 0.00 H new ATOM 0 HA GLN A 44 12.091 -1.029 4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.078 0.373 5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.180 1.542 6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.199 1.955 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.219 0.698 3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.016 3.031 5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.911 3.807 4.646 1.00 0.00 H new ATOM 688 N THR A 45 14.512 -0.544 5.525 1.00 0.00 N ATOM 689 CA THR A 45 15.907 -0.109 5.580 1.00 0.00 C ATOM 690 C THR A 45 16.756 -0.829 4.536 1.00 0.00 C ATOM 691 O THR A 45 16.635 -2.041 4.350 1.00 0.00 O ATOM 692 CB THR A 45 16.526 -0.347 6.970 1.00 0.00 C ATOM 693 OG1 THR A 45 16.347 -1.714 7.361 1.00 0.00 O ATOM 694 CG2 THR A 45 15.897 0.570 8.006 1.00 0.00 C ATOM 0 H THR A 45 14.382 -1.496 5.184 1.00 0.00 H new ATOM 0 HA THR A 45 15.902 0.961 5.371 1.00 0.00 H new ATOM 0 HB THR A 45 17.592 -0.125 6.911 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.745 -1.856 8.245 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.350 0.384 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.063 1.609 7.721 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.826 0.376 8.061 1.00 0.00 H new ATOM 702 N LEU A 46 17.618 -0.074 3.862 1.00 0.00 N ATOM 703 CA LEU A 46 18.488 -0.629 2.830 1.00 0.00 C ATOM 704 C LEU A 46 19.921 -0.752 3.345 1.00 0.00 C ATOM 705 O LEU A 46 20.478 0.201 3.888 1.00 0.00 O ATOM 706 CB LEU A 46 18.466 0.251 1.577 1.00 0.00 C ATOM 707 CG LEU A 46 17.302 0.000 0.617 1.00 0.00 C ATOM 708 CD1 LEU A 46 15.972 0.147 1.338 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.380 0.955 -0.567 1.00 0.00 C ATOM 0 H LEU A 46 17.733 0.928 4.013 1.00 0.00 H new ATOM 0 HA LEU A 46 18.116 -1.621 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.439 1.295 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.400 0.104 1.034 1.00 0.00 H new ATOM 0 HG LEU A 46 17.374 -1.021 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.157 -0.035 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.918 -0.574 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.886 1.156 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.546 0.766 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.331 1.983 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.319 0.800 -1.098 1.00 0.00 H new ATOM 721 N THR A 47 20.510 -1.930 3.171 1.00 0.00 N ATOM 722 CA THR A 47 21.882 -2.178 3.600 1.00 0.00 C ATOM 723 C THR A 47 22.653 -2.848 2.476 1.00 0.00 C ATOM 724 O THR A 47 22.122 -3.730 1.802 1.00 0.00 O ATOM 725 CB THR A 47 21.933 -3.074 4.850 1.00 0.00 C ATOM 726 OG1 THR A 47 21.226 -2.453 5.930 1.00 0.00 O ATOM 727 CG2 THR A 47 23.373 -3.336 5.267 1.00 0.00 C ATOM 0 H THR A 47 20.056 -2.732 2.734 1.00 0.00 H new ATOM 0 HA THR A 47 22.332 -1.217 3.850 1.00 0.00 H new ATOM 0 HB THR A 47 21.460 -4.025 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.263 -3.031 6.720 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.385 -3.971 6.153 1.00 0.00 H new ATOM 0 HG22 THR A 47 23.902 -3.835 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.864 -2.390 5.493 1.00 0.00 H new ATOM 735 N CYS A 48 23.903 -2.441 2.262 1.00 0.00 N ATOM 736 CA CYS A 48 24.682 -3.035 1.191 1.00 0.00 C ATOM 737 C CYS A 48 24.900 -4.506 1.510 1.00 0.00 C ATOM 738 O CYS A 48 25.589 -4.848 2.469 1.00 0.00 O ATOM 739 CB CYS A 48 26.007 -2.299 0.995 1.00 0.00 C ATOM 740 SG CYS A 48 27.039 -2.951 -0.356 1.00 0.00 S ATOM 0 H CYS A 48 24.383 -1.722 2.803 1.00 0.00 H new ATOM 0 HA CYS A 48 24.138 -2.947 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.799 -1.247 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.575 -2.345 1.924 1.00 0.00 H new ATOM 745 N ASN A 49 24.292 -5.366 0.712 1.00 0.00 N ATOM 746 CA ASN A 49 24.415 -6.800 0.906 1.00 0.00 C ATOM 747 C ASN A 49 25.644 -7.340 0.193 1.00 0.00 C ATOM 748 O ASN A 49 26.217 -6.676 -0.671 1.00 0.00 O ATOM 749 CB ASN A 49 23.169 -7.509 0.379 1.00 0.00 C ATOM 750 CG ASN A 49 22.970 -7.295 -1.112 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.924 -7.314 -1.889 1.00 0.00 O ATOM 752 ND2 ASN A 49 21.728 -7.065 -1.517 1.00 0.00 N ATOM 0 H ASN A 49 23.707 -5.095 -0.078 1.00 0.00 H new ATOM 0 HA ASN A 49 24.519 -6.989 1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 49 23.248 -8.577 0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 49 22.293 -7.146 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 49 21.537 -6.896 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 49 20.964 -7.058 -0.841 1.00 0.00 H new ATOM 759 N SER A 50 26.046 -8.545 0.566 1.00 0.00 N ATOM 760 CA SER A 50 27.186 -9.190 -0.059 1.00 0.00 C ATOM 761 C SER A 50 26.698 -9.993 -1.269 1.00 0.00 C ATOM 762 O SER A 50 27.031 -11.166 -1.438 1.00 0.00 O ATOM 763 CB SER A 50 27.890 -10.105 0.943 1.00 0.00 C ATOM 764 OG SER A 50 29.080 -10.647 0.398 1.00 0.00 O ATOM 0 H SER A 50 25.598 -9.095 1.299 1.00 0.00 H new ATOM 0 HA SER A 50 27.901 -8.436 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 50 28.124 -9.545 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 50 27.219 -10.914 1.234 1.00 0.00 H new ATOM 0 HG SER A 50 28.869 -11.143 -0.421 1.00 0.00 H new ATOM 770 N ASP A 51 25.907 -9.319 -2.105 1.00 0.00 N ATOM 771 CA ASP A 51 25.330 -9.902 -3.317 1.00 0.00 C ATOM 772 C ASP A 51 25.676 -9.037 -4.525 1.00 0.00 C ATOM 773 O ASP A 51 25.957 -9.545 -5.609 1.00 0.00 O ATOM 774 CB ASP A 51 23.809 -9.994 -3.178 1.00 0.00 C ATOM 775 CG ASP A 51 23.389 -10.928 -2.061 1.00 0.00 C ATOM 776 OD1 ASP A 51 23.278 -12.146 -2.315 1.00 0.00 O ATOM 777 OD2 ASP A 51 23.171 -10.442 -0.931 1.00 0.00 O ATOM 0 H ASP A 51 25.646 -8.344 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 51 25.742 -10.901 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 51 23.403 -9.000 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 51 23.381 -10.340 -4.119 1.00 0.00 H new ATOM 782 N GLY A 52 25.649 -7.723 -4.322 1.00 0.00 N ATOM 783 CA GLY A 52 25.960 -6.797 -5.396 1.00 0.00 C ATOM 784 C GLY A 52 25.001 -5.622 -5.412 1.00 0.00 C ATOM 785 O GLY A 52 25.087 -4.736 -6.263 1.00 0.00 O ATOM 0 H GLY A 52 25.417 -7.283 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 52 26.981 -6.433 -5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 52 25.914 -7.318 -6.352 1.00 0.00 H new ATOM 789 N GLU A 53 24.085 -5.636 -4.447 1.00 0.00 N ATOM 790 CA GLU A 53 23.082 -4.580 -4.342 1.00 0.00 C ATOM 791 C GLU A 53 22.545 -4.426 -2.924 1.00 0.00 C ATOM 792 O GLU A 53 23.236 -4.694 -1.943 1.00 0.00 O ATOM 793 CB GLU A 53 21.930 -4.871 -5.305 1.00 0.00 C ATOM 794 CG GLU A 53 21.091 -6.073 -4.902 1.00 0.00 C ATOM 795 CD GLU A 53 20.063 -6.447 -5.950 1.00 0.00 C ATOM 796 OE1 GLU A 53 18.937 -5.912 -5.894 1.00 0.00 O ATOM 797 OE2 GLU A 53 20.384 -7.278 -6.826 1.00 0.00 O ATOM 0 H GLU A 53 24.016 -6.360 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 53 23.566 -3.640 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 53 21.287 -3.993 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 53 22.335 -5.039 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 53 21.747 -6.925 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.583 -5.858 -3.962 1.00 0.00 H new ATOM 804 N TRP A 54 21.301 -3.971 -2.841 1.00 0.00 N ATOM 805 CA TRP A 54 20.632 -3.739 -1.575 1.00 0.00 C ATOM 806 C TRP A 54 19.623 -4.835 -1.244 1.00 0.00 C ATOM 807 O TRP A 54 18.660 -5.061 -1.977 1.00 0.00 O ATOM 808 CB TRP A 54 19.925 -2.391 -1.646 1.00 0.00 C ATOM 809 CG TRP A 54 20.851 -1.264 -1.972 1.00 0.00 C ATOM 810 CD1 TRP A 54 21.071 -0.697 -3.195 1.00 0.00 C ATOM 811 CD2 TRP A 54 21.696 -0.577 -1.054 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.002 0.309 -3.085 1.00 0.00 N ATOM 813 CE2 TRP A 54 22.400 0.401 -1.777 1.00 0.00 C ATOM 814 CE3 TRP A 54 21.919 -0.698 0.314 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.316 1.254 -1.171 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.826 0.147 0.917 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.515 1.113 0.176 1.00 0.00 C ATOM 0 H TRP A 54 20.728 -3.753 -3.656 1.00 0.00 H new ATOM 0 HA TRP A 54 21.381 -3.746 -0.783 1.00 0.00 H new ATOM 0 HB2 TRP A 54 19.139 -2.438 -2.400 1.00 0.00 H new ATOM 0 HB3 TRP A 54 19.439 -2.191 -0.691 1.00 0.00 H new ATOM 0 HD1 TRP A 54 20.586 -0.995 -4.113 1.00 0.00 H new ATOM 0 HE1 TRP A 54 22.341 0.891 -3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.391 -1.441 0.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 23.850 1.999 -1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.008 0.062 1.978 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.219 1.761 0.677 1.00 0.00 H new ATOM 828 N VAL A 55 19.865 -5.505 -0.122 1.00 0.00 N ATOM 829 CA VAL A 55 18.999 -6.567 0.369 1.00 0.00 C ATOM 830 C VAL A 55 18.105 -6.000 1.462 1.00 0.00 C ATOM 831 O VAL A 55 18.490 -5.037 2.125 1.00 0.00 O ATOM 832 CB VAL A 55 19.813 -7.763 0.910 1.00 0.00 C ATOM 833 CG1 VAL A 55 19.256 -8.262 2.231 1.00 0.00 C ATOM 834 CG2 VAL A 55 19.845 -8.888 -0.112 1.00 0.00 C ATOM 0 H VAL A 55 20.672 -5.324 0.474 1.00 0.00 H new ATOM 0 HA VAL A 55 18.394 -6.938 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 55 20.832 -7.419 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.853 -9.104 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.292 -7.459 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.223 -8.582 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 55 20.422 -9.723 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.828 -9.218 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 55 20.308 -8.531 -1.032 1.00 0.00 H new ATOM 844 N TYR A 56 16.932 -6.598 1.669 1.00 0.00 N ATOM 845 CA TYR A 56 16.032 -6.120 2.715 1.00 0.00 C ATOM 846 C TYR A 56 14.676 -6.813 2.661 1.00 0.00 C ATOM 847 O TYR A 56 14.394 -7.565 1.728 1.00 0.00 O ATOM 848 CB TYR A 56 15.823 -4.608 2.582 1.00 0.00 C ATOM 849 CG TYR A 56 15.465 -4.184 1.173 1.00 0.00 C ATOM 850 CD1 TYR A 56 14.195 -4.409 0.660 1.00 0.00 C ATOM 851 CD2 TYR A 56 16.403 -3.571 0.350 1.00 0.00 C ATOM 852 CE1 TYR A 56 13.867 -4.037 -0.628 1.00 0.00 C ATOM 853 CE2 TYR A 56 16.084 -3.197 -0.941 1.00 0.00 C ATOM 854 CZ TYR A 56 14.814 -3.432 -1.425 1.00 0.00 C ATOM 855 OH TYR A 56 14.493 -3.062 -2.711 1.00 0.00 O ATOM 0 H TYR A 56 16.589 -7.398 1.138 1.00 0.00 H new ATOM 0 HA TYR A 56 16.500 -6.354 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.031 -4.295 3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 56 16.732 -4.092 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.449 -4.884 1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.398 -3.384 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.873 -4.219 -1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.825 -2.723 -1.568 1.00 0.00 H new ATOM 0 HH TYR A 56 15.273 -2.648 -3.137 1.00 0.00 H new ATOM 865 N ASN A 57 13.837 -6.556 3.657 1.00 0.00 N ATOM 866 CA ASN A 57 12.513 -7.159 3.700 1.00 0.00 C ATOM 867 C ASN A 57 11.538 -6.357 2.851 1.00 0.00 C ATOM 868 O ASN A 57 11.867 -5.275 2.367 1.00 0.00 O ATOM 869 CB ASN A 57 12.008 -7.242 5.141 1.00 0.00 C ATOM 870 CG ASN A 57 11.828 -5.876 5.770 1.00 0.00 C ATOM 871 OD1 ASN A 57 10.824 -5.752 6.627 1.00 0.00 O flip ATOM 872 ND2 ASN A 57 12.580 -4.942 5.485 1.00 0.00 N flip ATOM 0 H ASN A 57 14.049 -5.938 4.440 1.00 0.00 H new ATOM 0 HA ASN A 57 12.583 -8.169 3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.058 -7.776 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.712 -7.823 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.340 -5.084 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.442 -4.027 5.915 1.00 0.00 H new ATOM 879 N THR A 58 10.336 -6.888 2.676 1.00 0.00 N ATOM 880 CA THR A 58 9.319 -6.217 1.881 1.00 0.00 C ATOM 881 C THR A 58 8.521 -5.240 2.737 1.00 0.00 C ATOM 882 O THR A 58 7.445 -5.571 3.235 1.00 0.00 O ATOM 883 CB THR A 58 8.354 -7.229 1.237 1.00 0.00 C ATOM 884 OG1 THR A 58 9.097 -8.271 0.591 1.00 0.00 O ATOM 885 CG2 THR A 58 7.457 -6.542 0.222 1.00 0.00 C ATOM 0 H THR A 58 10.042 -7.780 3.073 1.00 0.00 H new ATOM 0 HA THR A 58 9.835 -5.670 1.092 1.00 0.00 H new ATOM 0 HB THR A 58 7.732 -7.658 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.477 -8.912 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.782 -7.274 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.874 -5.766 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.070 -6.092 -0.560 1.00 0.00 H new ATOM 893 N PHE A 59 9.059 -4.035 2.912 1.00 0.00 N ATOM 894 CA PHE A 59 8.389 -3.021 3.717 1.00 0.00 C ATOM 895 C PHE A 59 7.037 -2.646 3.112 1.00 0.00 C ATOM 896 O PHE A 59 6.086 -2.360 3.837 1.00 0.00 O ATOM 897 CB PHE A 59 9.261 -1.768 3.878 1.00 0.00 C ATOM 898 CG PHE A 59 10.198 -1.493 2.733 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.463 -2.061 2.706 1.00 0.00 C ATOM 900 CD2 PHE A 59 9.823 -0.655 1.696 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.333 -1.800 1.666 1.00 0.00 C ATOM 902 CE2 PHE A 59 10.690 -0.391 0.653 1.00 0.00 C ATOM 903 CZ PHE A 59 11.946 -0.964 0.638 1.00 0.00 C ATOM 0 H PHE A 59 9.949 -3.740 2.510 1.00 0.00 H new ATOM 0 HA PHE A 59 8.222 -3.450 4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.609 -0.905 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.847 -1.867 4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.771 -2.715 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.842 -0.203 1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.315 -2.249 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.385 0.263 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.625 -0.759 -0.177 1.00 0.00 H new ATOM 913 N CYS A 60 6.955 -2.655 1.779 1.00 0.00 N ATOM 914 CA CYS A 60 5.711 -2.314 1.089 1.00 0.00 C ATOM 915 C CYS A 60 5.621 -3.000 -0.279 1.00 0.00 C ATOM 916 O CYS A 60 6.564 -3.667 -0.704 1.00 0.00 O ATOM 917 CB CYS A 60 5.587 -0.799 0.936 1.00 0.00 C ATOM 918 SG CYS A 60 5.252 0.076 2.498 1.00 0.00 S ATOM 0 H CYS A 60 7.730 -2.893 1.161 1.00 0.00 H new ATOM 0 HA CYS A 60 4.882 -2.677 1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.509 -0.411 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.787 -0.579 0.229 1.00 0.00 H new ATOM 923 N ILE A 61 4.484 -2.819 -0.968 1.00 0.00 N ATOM 924 CA ILE A 61 4.265 -3.443 -2.277 1.00 0.00 C ATOM 925 C ILE A 61 3.163 -2.744 -3.083 1.00 0.00 C ATOM 926 O ILE A 61 3.288 -2.579 -4.297 1.00 0.00 O ATOM 927 CB ILE A 61 3.900 -4.937 -2.130 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.981 -5.144 -0.919 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.156 -5.785 -2.009 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.832 -6.592 -0.495 1.00 0.00 C ATOM 0 H ILE A 61 3.706 -2.247 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 61 5.206 -3.343 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 61 3.364 -5.254 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.370 -4.569 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.995 -4.741 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.878 -6.834 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.768 -5.657 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.723 -5.472 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.167 -6.652 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.413 -7.171 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.809 -6.995 -0.228 1.00 0.00 H new ATOM 942 N TYR A 62 2.089 -2.345 -2.403 1.00 0.00 N ATOM 943 CA TYR A 62 0.956 -1.668 -3.056 1.00 0.00 C ATOM 944 C TYR A 62 0.185 -2.615 -3.975 1.00 0.00 C ATOM 945 O TYR A 62 0.707 -3.113 -4.972 1.00 0.00 O ATOM 946 CB TYR A 62 1.426 -0.441 -3.842 1.00 0.00 C ATOM 947 CG TYR A 62 0.646 0.819 -3.539 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.739 0.865 -3.635 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.312 1.965 -3.147 1.00 0.00 C ATOM 950 CE1 TYR A 62 -1.431 2.027 -3.340 1.00 0.00 C ATOM 951 CE2 TYR A 62 0.638 3.127 -2.851 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.736 3.155 -2.947 1.00 0.00 C ATOM 953 OH TYR A 62 -1.413 4.314 -2.651 1.00 0.00 O ATOM 0 H TYR A 62 1.974 -2.477 -1.398 1.00 0.00 H new ATOM 0 HA TYR A 62 0.282 -1.340 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.480 -0.265 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.351 -0.655 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.282 -0.016 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.389 1.948 -3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.508 2.052 -3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.181 4.009 -2.546 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.773 5.009 -2.391 1.00 0.00 H new ATOM 963 N LYS A 63 -1.070 -2.842 -3.604 1.00 0.00 N ATOM 964 CA LYS A 63 -1.983 -3.714 -4.337 1.00 0.00 C ATOM 965 C LYS A 63 -3.406 -3.425 -3.879 1.00 0.00 C ATOM 966 O LYS A 63 -3.780 -3.736 -2.748 1.00 0.00 O ATOM 967 CB LYS A 63 -1.631 -5.187 -4.108 1.00 0.00 C ATOM 968 CG LYS A 63 -1.737 -5.621 -2.657 1.00 0.00 C ATOM 969 CD LYS A 63 -1.248 -7.044 -2.456 1.00 0.00 C ATOM 970 CE LYS A 63 0.266 -7.123 -2.475 1.00 0.00 C ATOM 971 NZ LYS A 63 0.752 -8.528 -2.381 1.00 0.00 N ATOM 0 H LYS A 63 -1.488 -2.420 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.894 -3.518 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.292 -5.808 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.615 -5.367 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.154 -4.945 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.774 -5.543 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.621 -7.426 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.656 -7.683 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.641 -6.670 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.670 -6.543 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.742 -8.575 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.688 -8.852 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.166 -9.139 -2.985 1.00 0.00 H new ATOM 985 N ARG A 64 -4.199 -2.812 -4.748 1.00 0.00 N ATOM 986 CA ARG A 64 -5.568 -2.450 -4.413 1.00 0.00 C ATOM 987 C ARG A 64 -6.562 -3.466 -4.954 1.00 0.00 C ATOM 988 O ARG A 64 -6.181 -4.512 -5.477 1.00 0.00 O ATOM 989 CB ARG A 64 -5.897 -1.057 -4.961 1.00 0.00 C ATOM 990 CG ARG A 64 -5.641 -0.903 -6.452 1.00 0.00 C ATOM 991 CD ARG A 64 -4.180 -0.596 -6.744 1.00 0.00 C ATOM 992 NE ARG A 64 -3.951 -0.345 -8.165 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.757 -0.078 -8.688 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.683 -0.034 -7.913 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.637 0.148 -9.990 1.00 0.00 N ATOM 0 H ARG A 64 -3.915 -2.555 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.652 -2.441 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.945 -0.836 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.305 -0.317 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.930 -1.819 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.267 -0.103 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.869 0.275 -6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.561 -1.432 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.754 -0.376 -8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.770 -0.205 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.770 0.171 -8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.461 0.117 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.721 0.353 -10.390 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.842 -3.142 -4.830 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.904 -4.013 -5.292 1.00 0.00 C ATOM 1011 C CYS A 65 -9.710 -3.318 -6.372 1.00 0.00 C ATOM 1012 O CYS A 65 -9.692 -2.090 -6.470 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.817 -4.384 -4.126 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.557 -3.379 -2.631 1.00 0.00 S ATOM 0 H CYS A 65 -8.168 -2.272 -4.408 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.463 -4.921 -5.704 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.855 -4.282 -4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.662 -5.434 -3.877 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.416 -4.091 -7.182 1.00 0.00 N ATOM 1020 CA ARG A 66 -11.219 -3.500 -8.235 1.00 0.00 C ATOM 1021 C ARG A 66 -12.303 -2.635 -7.611 1.00 0.00 C ATOM 1022 O ARG A 66 -12.901 -3.003 -6.604 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.834 -4.578 -9.129 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.490 -4.032 -10.379 1.00 0.00 C ATOM 1025 CD ARG A 66 -13.975 -3.859 -10.168 1.00 0.00 C ATOM 1026 NE ARG A 66 -14.663 -3.483 -11.398 1.00 0.00 N ATOM 1027 CZ ARG A 66 -15.980 -3.574 -11.566 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -16.748 -4.027 -10.585 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -16.527 -3.213 -12.718 1.00 0.00 N ATOM 0 H ARG A 66 -10.449 -5.109 -7.132 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.580 -2.881 -8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.056 -5.285 -9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.574 -5.135 -8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.041 -3.075 -10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.312 -4.709 -11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.397 -4.789 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.147 -3.096 -9.409 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.103 -3.130 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.330 -4.307 -9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.757 -4.095 -10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.939 -2.866 -13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.536 -3.283 -12.847 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.556 -1.493 -8.221 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.569 -0.587 -7.715 1.00 0.00 C ATOM 1045 C HIS A 67 -14.942 -1.253 -7.790 1.00 0.00 C ATOM 1046 O HIS A 67 -15.431 -1.540 -8.882 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.555 0.704 -8.529 1.00 0.00 C ATOM 1048 CG HIS A 67 -12.178 1.243 -8.765 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -11.607 1.329 -10.017 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.253 1.722 -7.899 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -10.392 1.836 -9.912 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -10.154 2.084 -8.639 1.00 0.00 N ATOM 0 H HIS A 67 -12.077 -1.172 -9.063 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.355 -0.347 -6.673 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.036 0.524 -9.490 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -14.148 1.458 -8.011 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.360 1.804 -6.827 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.710 2.017 -10.729 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.292 2.481 -8.264 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.588 -1.511 -6.633 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.902 -2.158 -6.599 1.00 0.00 C ATOM 1063 C PRO A 68 -17.886 -1.482 -7.541 1.00 0.00 C ATOM 1064 O PRO A 68 -18.848 -2.101 -7.994 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.350 -2.034 -5.137 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.395 -1.078 -4.498 1.00 0.00 C ATOM 1067 CD PRO A 68 -15.115 -1.170 -5.284 1.00 0.00 C ATOM 0 HA PRO A 68 -16.857 -3.195 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.374 -1.666 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.327 -3.002 -4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.791 -0.062 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.228 -1.336 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.565 -0.229 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.448 -1.934 -4.884 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.624 -0.227 -7.866 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.519 0.508 -8.732 1.00 0.00 C ATOM 1077 C GLY A 69 -19.483 1.372 -7.948 1.00 0.00 C ATOM 1078 O GLY A 69 -19.821 1.069 -6.805 1.00 0.00 O ATOM 0 H GLY A 69 -16.808 0.295 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.937 1.135 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.080 -0.192 -9.351 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.901 2.455 -8.578 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.832 3.412 -7.988 1.00 0.00 C ATOM 1084 C GLU A 70 -21.863 2.751 -7.079 1.00 0.00 C ATOM 1085 O GLU A 70 -22.363 1.661 -7.359 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.541 4.209 -9.085 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.543 5.223 -8.553 1.00 0.00 C ATOM 1088 CD GLU A 70 -23.167 6.059 -9.652 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -24.153 5.596 -10.264 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.670 7.177 -9.902 1.00 0.00 O ATOM 0 H GLU A 70 -19.604 2.701 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.239 4.084 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.794 4.729 -9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.057 3.516 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.329 4.700 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.045 5.880 -7.840 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.170 3.444 -5.990 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.169 2.994 -5.032 1.00 0.00 C ATOM 1099 C LEU A 71 -24.479 3.707 -5.346 1.00 0.00 C ATOM 1100 O LEU A 71 -24.651 4.871 -4.989 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.720 3.310 -3.599 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.213 2.348 -2.508 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -22.725 2.808 -1.143 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -24.730 2.231 -2.516 1.00 0.00 C ATOM 0 H LEU A 71 -21.733 4.333 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.300 1.915 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.630 3.325 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.058 4.315 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 71 -22.802 1.361 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.081 2.118 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -21.635 2.829 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.109 3.807 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.046 1.543 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.171 3.212 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.061 1.855 -3.484 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.397 3.021 -6.019 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.682 3.633 -6.348 1.00 0.00 C ATOM 1118 C ARG A 72 -27.418 3.963 -5.059 1.00 0.00 C ATOM 1119 O ARG A 72 -27.653 3.097 -4.215 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.520 2.738 -7.258 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.852 3.349 -7.657 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.625 2.436 -8.593 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.779 1.095 -8.038 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.452 0.119 -8.637 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -31.039 0.331 -9.808 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -30.539 -1.074 -8.065 1.00 0.00 N ATOM 0 H ARG A 72 -25.281 2.061 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.503 4.553 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.949 2.514 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.702 1.790 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.446 3.544 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.682 4.310 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.608 2.864 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.108 2.376 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.344 0.896 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.975 1.247 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.555 -0.422 -10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -30.089 -1.242 -7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.056 -1.824 -8.525 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.771 5.241 -4.927 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.403 5.740 -3.720 1.00 0.00 C ATOM 1142 C ASN A 73 -27.423 5.502 -2.592 1.00 0.00 C ATOM 1143 O ASN A 73 -27.793 5.065 -1.505 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.739 5.040 -3.447 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.756 5.288 -4.542 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.824 4.377 -5.505 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.477 6.286 -4.521 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.626 5.948 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.637 6.800 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.570 3.968 -3.348 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.141 5.389 -2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.391 6.961 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.160 6.437 -5.263 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.164 5.832 -2.861 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.124 5.621 -1.886 1.00 0.00 C ATOM 1156 C GLY A 74 -23.813 6.272 -2.280 1.00 0.00 C ATOM 1157 O GLY A 74 -23.690 6.834 -3.369 1.00 0.00 O ATOM 0 H GLY A 74 -25.850 6.242 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.448 6.018 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -24.968 4.550 -1.753 1.00 0.00 H new ATOM 1161 N GLN A 75 -22.837 6.195 -1.386 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.531 6.787 -1.636 1.00 0.00 C ATOM 1163 C GLN A 75 -20.413 5.817 -1.266 1.00 0.00 C ATOM 1164 O GLN A 75 -20.450 5.178 -0.215 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.381 8.090 -0.845 1.00 0.00 C ATOM 1166 CG GLN A 75 -20.174 8.918 -1.254 1.00 0.00 C ATOM 1167 CD GLN A 75 -20.123 10.262 -0.554 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.583 10.404 0.581 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -19.566 11.260 -1.230 1.00 0.00 N ATOM 0 H GLN A 75 -22.925 5.729 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.455 7.006 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.282 8.689 -0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.305 7.854 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -19.264 8.361 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -20.195 9.075 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -19.198 11.098 -2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -19.506 12.188 -0.812 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.422 5.717 -2.142 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.289 4.831 -1.908 1.00 0.00 C ATOM 1180 C VAL A 76 -17.086 5.641 -1.448 1.00 0.00 C ATOM 1181 O VAL A 76 -16.483 6.367 -2.238 1.00 0.00 O ATOM 1182 CB VAL A 76 -17.918 4.030 -3.170 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -16.824 3.021 -2.856 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.142 3.335 -3.744 1.00 0.00 C ATOM 0 H VAL A 76 -19.379 6.237 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.580 4.122 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.540 4.725 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.574 2.463 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.939 3.545 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.175 2.331 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.858 2.775 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.554 2.651 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.893 4.080 -4.008 1.00 0.00 H new ATOM 1194 N GLU A 77 -16.742 5.523 -0.169 1.00 0.00 N ATOM 1195 CA GLU A 77 -15.615 6.260 0.388 1.00 0.00 C ATOM 1196 C GLU A 77 -14.294 5.803 -0.225 1.00 0.00 C ATOM 1197 O GLU A 77 -13.586 4.974 0.347 1.00 0.00 O ATOM 1198 CB GLU A 77 -15.574 6.095 1.911 1.00 0.00 C ATOM 1199 CG GLU A 77 -14.399 6.797 2.575 1.00 0.00 C ATOM 1200 CD GLU A 77 -14.446 6.708 4.088 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -13.909 5.726 4.643 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.019 7.621 4.720 1.00 0.00 O ATOM 0 H GLU A 77 -17.227 4.925 0.499 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.752 7.314 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.502 6.481 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.533 5.032 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.468 6.357 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.391 7.845 2.276 1.00 0.00 H new ATOM 1209 N ILE A 78 -13.979 6.339 -1.398 1.00 0.00 N ATOM 1210 CA ILE A 78 -12.736 6.007 -2.079 1.00 0.00 C ATOM 1211 C ILE A 78 -11.746 7.157 -1.923 1.00 0.00 C ATOM 1212 O ILE A 78 -12.070 8.312 -2.209 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.969 5.689 -3.581 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -12.586 4.238 -3.884 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.182 6.630 -4.482 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.500 3.214 -3.248 1.00 0.00 C ATOM 0 H ILE A 78 -14.568 7.006 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.325 5.108 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.030 5.833 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.588 4.091 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.567 4.063 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.370 6.377 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.494 7.658 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.117 6.530 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.162 2.212 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.480 3.332 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.518 3.360 -3.610 1.00 0.00 H new ATOM 1228 N LYS A 79 -10.547 6.842 -1.452 1.00 0.00 N ATOM 1229 CA LYS A 79 -9.524 7.858 -1.245 1.00 0.00 C ATOM 1230 C LYS A 79 -8.136 7.237 -1.220 1.00 0.00 C ATOM 1231 O LYS A 79 -7.217 7.724 -1.880 1.00 0.00 O ATOM 1232 CB LYS A 79 -9.779 8.620 0.064 1.00 0.00 C ATOM 1233 CG LYS A 79 -9.807 7.740 1.308 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.045 6.867 1.365 1.00 0.00 C ATOM 1235 CE LYS A 79 -10.971 5.897 2.529 1.00 0.00 C ATOM 1236 NZ LYS A 79 -11.285 6.558 3.825 1.00 0.00 N ATOM 0 H LYS A 79 -10.259 5.895 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.575 8.558 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.005 9.377 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.730 9.147 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.919 7.109 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.767 8.369 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.932 7.493 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.148 6.314 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.669 5.076 2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.973 5.462 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.428 6.594 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.624 7.525 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.023 6.018 4.320 1.00 0.00 H new ATOM 1250 N THR A 80 -7.987 6.161 -0.460 1.00 0.00 N ATOM 1251 CA THR A 80 -6.711 5.477 -0.348 1.00 0.00 C ATOM 1252 C THR A 80 -6.493 4.544 -1.524 1.00 0.00 C ATOM 1253 O THR A 80 -5.609 3.687 -1.493 1.00 0.00 O ATOM 1254 CB THR A 80 -6.636 4.670 0.958 1.00 0.00 C ATOM 1255 OG1 THR A 80 -7.508 3.536 0.882 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.029 5.540 2.142 1.00 0.00 C ATOM 0 H THR A 80 -8.738 5.743 0.089 1.00 0.00 H new ATOM 0 HA THR A 80 -5.931 6.238 -0.345 1.00 0.00 H new ATOM 0 HB THR A 80 -5.610 4.328 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.454 3.025 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.971 4.954 3.059 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.350 6.390 2.211 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.049 5.901 2.006 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.312 4.713 -2.559 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.207 3.892 -3.757 1.00 0.00 C ATOM 1266 C ASP A 81 -7.528 2.437 -3.467 1.00 0.00 C ATOM 1267 O ASP A 81 -7.355 1.570 -4.325 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.803 3.970 -4.322 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.478 5.332 -4.906 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.124 5.720 -5.903 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.581 6.011 -4.364 1.00 0.00 O ATOM 0 H ASP A 81 -8.055 5.411 -2.590 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.929 4.277 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.086 3.737 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.685 3.211 -5.095 1.00 0.00 H new ATOM 1276 N LEU A 82 -7.986 2.181 -2.251 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.332 0.835 -1.826 1.00 0.00 C ATOM 1278 C LEU A 82 -7.078 -0.016 -1.725 1.00 0.00 C ATOM 1279 O LEU A 82 -6.975 -1.064 -2.355 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.303 0.221 -2.815 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.559 1.043 -3.073 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.468 1.758 -4.412 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.773 0.151 -3.023 1.00 0.00 C ATOM 0 H LEU A 82 -8.127 2.895 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.805 0.879 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.786 0.067 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.598 -0.762 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.650 1.801 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.375 2.339 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.605 2.424 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.358 1.024 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.668 0.744 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.687 -0.624 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.843 -0.314 -2.040 1.00 0.00 H new ATOM 1295 N SER A 83 -6.148 0.423 -0.900 1.00 0.00 N ATOM 1296 CA SER A 83 -4.903 -0.307 -0.701 1.00 0.00 C ATOM 1297 C SER A 83 -5.105 -1.433 0.311 1.00 0.00 C ATOM 1298 O SER A 83 -5.638 -1.209 1.398 1.00 0.00 O ATOM 1299 CB SER A 83 -3.800 0.638 -0.224 1.00 0.00 C ATOM 1300 OG SER A 83 -3.641 1.727 -1.118 1.00 0.00 O ATOM 0 H SER A 83 -6.227 1.281 -0.355 1.00 0.00 H new ATOM 0 HA SER A 83 -4.601 -0.741 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.042 1.012 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.860 0.092 -0.139 1.00 0.00 H new ATOM 0 HG SER A 83 -2.818 1.607 -1.637 1.00 0.00 H new ATOM 1306 N PHE A 84 -4.689 -2.644 -0.060 1.00 0.00 N ATOM 1307 CA PHE A 84 -4.823 -3.813 0.810 1.00 0.00 C ATOM 1308 C PHE A 84 -4.493 -3.463 2.259 1.00 0.00 C ATOM 1309 O PHE A 84 -3.549 -2.719 2.528 1.00 0.00 O ATOM 1310 CB PHE A 84 -3.908 -4.940 0.318 1.00 0.00 C ATOM 1311 CG PHE A 84 -3.807 -6.103 1.262 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -4.714 -7.147 1.192 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -2.804 -6.155 2.217 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.623 -8.221 2.056 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -2.708 -7.227 3.083 1.00 0.00 C ATOM 1316 CZ PHE A 84 -3.619 -8.260 3.003 1.00 0.00 C ATOM 0 H PHE A 84 -4.254 -2.842 -0.961 1.00 0.00 H new ATOM 0 HA PHE A 84 -5.859 -4.148 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.275 -5.297 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.910 -4.536 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.502 -7.121 0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.089 -5.348 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.336 -9.029 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.921 -7.256 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.547 -9.098 3.680 1.00 0.00 H new ATOM 1326 N GLY A 85 -5.275 -4.005 3.189 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.050 -3.741 4.598 1.00 0.00 C ATOM 1328 C GLY A 85 -5.791 -2.510 5.081 1.00 0.00 C ATOM 1329 O GLY A 85 -5.209 -1.645 5.734 1.00 0.00 O ATOM 0 H GLY A 85 -6.062 -4.623 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.367 -4.605 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.982 -3.612 4.775 1.00 0.00 H new ATOM 1333 N SER A 86 -7.083 -2.435 4.765 1.00 0.00 N ATOM 1334 CA SER A 86 -7.902 -1.295 5.166 1.00 0.00 C ATOM 1335 C SER A 86 -9.368 -1.521 4.827 1.00 0.00 C ATOM 1336 O SER A 86 -9.919 -2.590 5.094 1.00 0.00 O ATOM 1337 CB SER A 86 -7.387 -0.020 4.494 1.00 0.00 C ATOM 1338 OG SER A 86 -7.989 1.133 5.058 1.00 0.00 O ATOM 0 H SER A 86 -7.583 -3.148 4.234 1.00 0.00 H new ATOM 0 HA SER A 86 -7.826 -1.184 6.248 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.304 0.041 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.597 -0.058 3.425 1.00 0.00 H new ATOM 0 HG SER A 86 -7.642 1.934 4.613 1.00 0.00 H new ATOM 1344 N GLN A 87 -9.983 -0.511 4.224 1.00 0.00 N ATOM 1345 CA GLN A 87 -11.394 -0.587 3.849 1.00 0.00 C ATOM 1346 C GLN A 87 -11.913 0.734 3.293 1.00 0.00 C ATOM 1347 O GLN A 87 -11.338 1.797 3.530 1.00 0.00 O ATOM 1348 CB GLN A 87 -12.258 -1.001 5.050 1.00 0.00 C ATOM 1349 CG GLN A 87 -11.797 -0.424 6.382 1.00 0.00 C ATOM 1350 CD GLN A 87 -11.857 1.092 6.434 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -12.850 1.674 5.771 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -11.026 1.733 7.076 1.00 0.00 N flip ATOM 0 H GLN A 87 -9.530 0.370 3.983 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.466 -1.342 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.286 -0.688 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.264 -2.089 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.416 -0.833 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.774 -0.747 6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.279 1.247 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.084 2.751 7.113 1.00 0.00 H new ATOM 1361 N ILE A 88 -13.008 0.644 2.543 1.00 0.00 N ATOM 1362 CA ILE A 88 -13.653 1.811 1.955 1.00 0.00 C ATOM 1363 C ILE A 88 -15.135 1.830 2.327 1.00 0.00 C ATOM 1364 O ILE A 88 -15.977 1.285 1.613 1.00 0.00 O ATOM 1365 CB ILE A 88 -13.504 1.840 0.419 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -13.894 0.488 -0.182 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -12.077 2.203 0.032 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.693 0.603 -1.462 1.00 0.00 C ATOM 0 H ILE A 88 -13.471 -0.239 2.327 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.158 2.696 2.355 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.175 2.601 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.989 -0.088 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -14.475 -0.072 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.988 2.219 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.831 3.187 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.389 1.463 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -14.934 -0.394 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.615 1.151 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.106 1.135 -2.211 1.00 0.00 H new ATOM 1380 N GLU A 89 -15.441 2.453 3.461 1.00 0.00 N ATOM 1381 CA GLU A 89 -16.808 2.539 3.956 1.00 0.00 C ATOM 1382 C GLU A 89 -17.771 3.037 2.880 1.00 0.00 C ATOM 1383 O GLU A 89 -17.350 3.488 1.815 1.00 0.00 O ATOM 1384 CB GLU A 89 -16.857 3.467 5.163 1.00 0.00 C ATOM 1385 CG GLU A 89 -16.473 2.787 6.463 1.00 0.00 C ATOM 1386 CD GLU A 89 -16.497 3.735 7.645 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -15.503 4.465 7.841 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -17.510 3.748 8.375 1.00 0.00 O ATOM 0 H GLU A 89 -14.752 2.909 4.059 1.00 0.00 H new ATOM 0 HA GLU A 89 -17.124 1.536 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.187 4.310 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -17.864 3.874 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.157 1.959 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.475 2.360 6.365 1.00 0.00 H new ATOM 1395 N PHE A 90 -19.065 2.959 3.171 1.00 0.00 N ATOM 1396 CA PHE A 90 -20.087 3.400 2.229 1.00 0.00 C ATOM 1397 C PHE A 90 -21.004 4.442 2.864 1.00 0.00 C ATOM 1398 O PHE A 90 -20.852 4.781 4.037 1.00 0.00 O ATOM 1399 CB PHE A 90 -20.909 2.207 1.740 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.074 1.087 1.187 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -19.592 0.089 2.020 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -19.769 1.029 -0.166 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -18.825 -0.943 1.516 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.003 -0.002 -0.674 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.531 -0.988 0.168 1.00 0.00 C ATOM 0 H PHE A 90 -19.431 2.595 4.051 1.00 0.00 H new ATOM 0 HA PHE A 90 -19.585 3.859 1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -21.510 1.827 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -21.603 2.546 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -19.819 0.119 3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.135 1.799 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.456 -1.714 2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -18.774 -0.036 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 90 -17.932 -1.795 -0.227 1.00 0.00 H new ATOM 1415 N SER A 91 -21.960 4.940 2.082 1.00 0.00 N ATOM 1416 CA SER A 91 -22.884 5.954 2.585 1.00 0.00 C ATOM 1417 C SER A 91 -24.174 6.007 1.778 1.00 0.00 C ATOM 1418 O SER A 91 -24.191 6.473 0.645 1.00 0.00 O ATOM 1419 CB SER A 91 -22.225 7.332 2.573 1.00 0.00 C ATOM 1420 OG SER A 91 -21.010 7.329 3.300 1.00 0.00 O ATOM 0 H SER A 91 -22.114 4.663 1.112 1.00 0.00 H new ATOM 0 HA SER A 91 -23.135 5.672 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 91 -22.035 7.637 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.906 8.067 3.002 1.00 0.00 H new ATOM 0 HG SER A 91 -20.984 6.547 3.891 1.00 0.00 H new ATOM 1426 N CYS A 92 -25.262 5.568 2.392 1.00 0.00 N ATOM 1427 CA CYS A 92 -26.551 5.587 1.707 1.00 0.00 C ATOM 1428 C CYS A 92 -27.161 6.983 1.814 1.00 0.00 C ATOM 1429 O CYS A 92 -27.400 7.482 2.914 1.00 0.00 O ATOM 1430 CB CYS A 92 -27.504 4.528 2.272 1.00 0.00 C ATOM 1431 SG CYS A 92 -27.025 2.805 1.901 1.00 0.00 S ATOM 0 H CYS A 92 -25.283 5.201 3.343 1.00 0.00 H new ATOM 0 HA CYS A 92 -26.391 5.344 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -27.564 4.651 3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -28.503 4.708 1.875 1.00 0.00 H new ATOM 1436 N SER A 93 -27.399 7.611 0.663 1.00 0.00 N ATOM 1437 CA SER A 93 -27.952 8.967 0.619 1.00 0.00 C ATOM 1438 C SER A 93 -29.193 9.121 1.487 1.00 0.00 C ATOM 1439 O SER A 93 -29.754 8.143 1.977 1.00 0.00 O ATOM 1440 CB SER A 93 -28.294 9.360 -0.818 1.00 0.00 C ATOM 1441 OG SER A 93 -27.129 9.681 -1.555 1.00 0.00 O ATOM 0 H SER A 93 -27.218 7.203 -0.254 1.00 0.00 H new ATOM 0 HA SER A 93 -27.181 9.628 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 93 -28.821 8.540 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 93 -28.970 10.215 -0.812 1.00 0.00 H new ATOM 0 HG SER A 93 -27.378 9.927 -2.470 1.00 0.00 H new ATOM 1447 N GLU A 94 -29.613 10.373 1.657 1.00 0.00 N ATOM 1448 CA GLU A 94 -30.790 10.701 2.449 1.00 0.00 C ATOM 1449 C GLU A 94 -31.949 9.773 2.099 1.00 0.00 C ATOM 1450 O GLU A 94 -32.065 9.303 0.966 1.00 0.00 O ATOM 1451 CB GLU A 94 -31.183 12.159 2.198 1.00 0.00 C ATOM 1452 CG GLU A 94 -32.533 12.544 2.776 1.00 0.00 C ATOM 1453 CD GLU A 94 -32.544 12.553 4.292 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -31.931 13.467 4.884 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -33.164 11.648 4.888 1.00 0.00 O ATOM 0 H GLU A 94 -29.147 11.184 1.250 1.00 0.00 H new ATOM 0 HA GLU A 94 -30.555 10.567 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -30.419 12.809 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -31.194 12.342 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -32.811 13.532 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -33.289 11.846 2.416 1.00 0.00 H new ATOM 1462 N GLY A 95 -32.805 9.517 3.084 1.00 0.00 N ATOM 1463 CA GLY A 95 -33.949 8.653 2.875 1.00 0.00 C ATOM 1464 C GLY A 95 -33.583 7.181 2.857 1.00 0.00 C ATOM 1465 O GLY A 95 -34.360 6.345 3.316 1.00 0.00 O ATOM 0 H GLY A 95 -32.724 9.896 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -34.681 8.830 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -34.428 8.915 1.931 1.00 0.00 H new ATOM 1469 N PHE A 96 -32.405 6.856 2.336 1.00 0.00 N ATOM 1470 CA PHE A 96 -31.978 5.463 2.255 1.00 0.00 C ATOM 1471 C PHE A 96 -30.835 5.211 3.233 1.00 0.00 C ATOM 1472 O PHE A 96 -29.908 6.013 3.331 1.00 0.00 O ATOM 1473 CB PHE A 96 -31.522 5.118 0.833 1.00 0.00 C ATOM 1474 CG PHE A 96 -32.445 5.612 -0.243 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.562 4.879 -0.603 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.191 6.805 -0.899 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.411 5.326 -1.597 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.035 7.259 -1.894 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.147 6.518 -2.244 1.00 0.00 C ATOM 0 H PHE A 96 -31.734 7.530 1.967 1.00 0.00 H new ATOM 0 HA PHE A 96 -32.826 4.829 2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -30.531 5.540 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -31.426 4.036 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -33.773 3.946 -0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.322 7.388 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.280 4.745 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -32.826 8.191 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 96 -34.809 6.870 -3.022 1.00 0.00 H new ATOM 1489 N PHE A 97 -30.902 4.100 3.961 1.00 0.00 N ATOM 1490 CA PHE A 97 -29.857 3.768 4.923 1.00 0.00 C ATOM 1491 C PHE A 97 -29.011 2.604 4.434 1.00 0.00 C ATOM 1492 O PHE A 97 -29.329 1.946 3.443 1.00 0.00 O ATOM 1493 CB PHE A 97 -30.454 3.467 6.304 1.00 0.00 C ATOM 1494 CG PHE A 97 -31.187 2.160 6.400 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -32.364 1.954 5.701 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -30.705 1.143 7.209 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -33.048 0.757 5.807 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -31.382 -0.056 7.318 1.00 0.00 C ATOM 1499 CZ PHE A 97 -32.556 -0.248 6.616 1.00 0.00 C ATOM 0 H PHE A 97 -31.661 3.421 3.904 1.00 0.00 H new ATOM 0 HA PHE A 97 -29.207 4.638 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -29.651 3.472 7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -31.138 4.272 6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -32.752 2.737 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -29.788 1.290 7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -33.966 0.608 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -30.995 -0.841 7.950 1.00 0.00 H new ATOM 0 HZ PHE A 97 -33.089 -1.184 6.700 1.00 0.00 H new ATOM 1509 N LEU A 98 -27.932 2.364 5.167 1.00 0.00 N ATOM 1510 CA LEU A 98 -26.986 1.308 4.837 1.00 0.00 C ATOM 1511 C LEU A 98 -27.440 -0.030 5.407 1.00 0.00 C ATOM 1512 O LEU A 98 -27.892 -0.109 6.550 1.00 0.00 O ATOM 1513 CB LEU A 98 -25.606 1.677 5.396 1.00 0.00 C ATOM 1514 CG LEU A 98 -24.398 1.012 4.722 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.453 -0.501 4.866 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.309 1.408 3.258 1.00 0.00 C ATOM 0 H LEU A 98 -27.689 2.894 6.004 1.00 0.00 H new ATOM 0 HA LEU A 98 -26.932 1.209 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -25.486 2.758 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -25.588 1.424 6.456 1.00 0.00 H new ATOM 0 HG LEU A 98 -23.499 1.366 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.585 -0.945 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.451 -0.766 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.363 -0.878 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -23.445 0.924 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.216 1.094 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.202 2.490 3.180 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.316 -1.079 4.600 1.00 0.00 N ATOM 1529 CA ILE A 99 -27.678 -2.438 4.993 1.00 0.00 C ATOM 1530 C ILE A 99 -26.906 -3.429 4.141 1.00 0.00 C ATOM 1531 O ILE A 99 -27.180 -3.614 2.955 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.178 -2.721 4.792 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -29.945 -1.421 4.582 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -29.734 -3.486 5.982 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.277 -1.605 3.890 1.00 0.00 C ATOM 0 H ILE A 99 -26.959 -1.010 3.647 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.438 -2.541 6.051 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.299 -3.335 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.111 -0.947 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.331 -0.739 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -30.795 -3.679 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.204 -4.433 6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -29.602 -2.895 6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -31.764 -0.637 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.118 -2.050 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -31.910 -2.261 4.487 1.00 0.00 H new ATOM 1547 N GLY A 100 -25.934 -4.058 4.781 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.078 -5.018 4.116 1.00 0.00 C ATOM 1549 C GLY A 100 -23.736 -5.126 4.804 1.00 0.00 C ATOM 1550 O GLY A 100 -23.312 -6.208 5.215 1.00 0.00 O ATOM 0 H GLY A 100 -25.720 -3.917 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.563 -5.994 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -24.934 -4.722 3.077 1.00 0.00 H new ATOM 1554 N SER A 101 -23.086 -3.978 4.925 1.00 0.00 N ATOM 1555 CA SER A 101 -21.778 -3.852 5.552 1.00 0.00 C ATOM 1556 C SER A 101 -21.250 -2.456 5.271 1.00 0.00 C ATOM 1557 O SER A 101 -20.731 -2.192 4.186 1.00 0.00 O ATOM 1558 CB SER A 101 -20.802 -4.899 5.012 1.00 0.00 C ATOM 1559 OG SER A 101 -19.546 -4.807 5.662 1.00 0.00 O ATOM 0 H SER A 101 -23.459 -3.092 4.584 1.00 0.00 H new ATOM 0 HA SER A 101 -21.875 -4.016 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.217 -5.896 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.671 -4.760 3.939 1.00 0.00 H new ATOM 0 HG SER A 101 -18.984 -4.154 5.196 1.00 0.00 H new ATOM 1565 N THR A 102 -21.388 -1.557 6.239 1.00 0.00 N ATOM 1566 CA THR A 102 -20.952 -0.181 6.056 1.00 0.00 C ATOM 1567 C THR A 102 -19.456 -0.123 5.777 1.00 0.00 C ATOM 1568 O THR A 102 -18.921 0.928 5.424 1.00 0.00 O ATOM 1569 CB THR A 102 -21.262 0.681 7.293 1.00 0.00 C ATOM 1570 OG1 THR A 102 -20.485 0.232 8.410 1.00 0.00 O ATOM 1571 CG2 THR A 102 -22.739 0.619 7.645 1.00 0.00 C ATOM 0 H THR A 102 -21.796 -1.756 7.152 1.00 0.00 H new ATOM 0 HA THR A 102 -21.502 0.216 5.203 1.00 0.00 H new ATOM 0 HB THR A 102 -21.004 1.714 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 102 -20.686 0.786 9.193 1.00 0.00 H new ATOM 0 HG21 THR A 102 -22.930 1.237 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.329 0.988 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.019 -0.412 7.859 1.00 0.00 H new ATOM 1579 N THR A 103 -18.788 -1.254 5.945 1.00 0.00 N ATOM 1580 CA THR A 103 -17.359 -1.334 5.693 1.00 0.00 C ATOM 1581 C THR A 103 -17.079 -2.359 4.601 1.00 0.00 C ATOM 1582 O THR A 103 -17.921 -3.205 4.304 1.00 0.00 O ATOM 1583 CB THR A 103 -16.577 -1.703 6.959 1.00 0.00 C ATOM 1584 OG1 THR A 103 -17.206 -1.128 8.112 1.00 0.00 O ATOM 1585 CG2 THR A 103 -15.148 -1.204 6.859 1.00 0.00 C ATOM 0 H THR A 103 -19.213 -2.128 6.255 1.00 0.00 H new ATOM 0 HA THR A 103 -17.026 -0.348 5.369 1.00 0.00 H new ATOM 0 HB THR A 103 -16.569 -2.789 7.057 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.700 -1.371 8.916 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.604 -1.473 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 103 -14.663 -1.660 5.996 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.148 -0.120 6.744 1.00 0.00 H new ATOM 1593 N SER A 104 -15.897 -2.275 4.003 1.00 0.00 N ATOM 1594 CA SER A 104 -15.479 -3.214 2.969 1.00 0.00 C ATOM 1595 C SER A 104 -13.963 -3.368 3.044 1.00 0.00 C ATOM 1596 O SER A 104 -13.231 -2.423 2.770 1.00 0.00 O ATOM 1597 CB SER A 104 -15.903 -2.721 1.585 1.00 0.00 C ATOM 1598 OG SER A 104 -15.540 -1.367 1.395 1.00 0.00 O ATOM 0 H SER A 104 -15.204 -1.558 4.219 1.00 0.00 H new ATOM 0 HA SER A 104 -15.958 -4.179 3.133 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.436 -3.337 0.817 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.981 -2.831 1.470 1.00 0.00 H new ATOM 0 HG SER A 104 -16.347 -0.829 1.255 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.492 -4.566 3.377 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.061 -4.821 3.539 1.00 0.00 C ATOM 1606 C ARG A 105 -11.424 -5.362 2.266 1.00 0.00 C ATOM 1607 O ARG A 105 -12.015 -6.178 1.558 1.00 0.00 O ATOM 1608 CB ARG A 105 -11.842 -5.809 4.685 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.423 -5.337 6.008 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.156 -6.331 7.127 1.00 0.00 C ATOM 1611 NE ARG A 105 -12.577 -5.813 8.427 1.00 0.00 N ATOM 1612 CZ ARG A 105 -12.938 -6.583 9.450 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.926 -7.904 9.331 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.312 -6.029 10.596 1.00 0.00 N ATOM 0 H ARG A 105 -14.083 -5.381 3.541 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.581 -3.869 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.291 -6.766 4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.773 -5.981 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.993 -4.370 6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.498 -5.189 5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.683 -7.262 6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.092 -6.567 7.157 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.595 -4.802 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.639 -8.334 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.204 -8.490 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.323 -5.014 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.589 -6.618 11.381 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.202 -4.914 1.997 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.469 -5.349 0.818 1.00 0.00 C ATOM 1630 C CYS A 106 -8.480 -6.440 1.203 1.00 0.00 C ATOM 1631 O CYS A 106 -7.543 -6.199 1.964 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.736 -4.169 0.178 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.224 -4.459 -1.545 1.00 0.00 S ATOM 0 H CYS A 106 -9.699 -4.248 2.583 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.175 -5.748 0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.383 -3.292 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.853 -3.937 0.774 1.00 0.00 H new ATOM 1638 N GLU A 107 -8.691 -7.635 0.676 1.00 0.00 N ATOM 1639 CA GLU A 107 -7.838 -8.768 0.995 1.00 0.00 C ATOM 1640 C GLU A 107 -7.153 -9.306 -0.259 1.00 0.00 C ATOM 1641 O GLU A 107 -7.288 -8.737 -1.338 1.00 0.00 O ATOM 1642 CB GLU A 107 -8.685 -9.859 1.656 1.00 0.00 C ATOM 1643 CG GLU A 107 -7.880 -10.911 2.404 1.00 0.00 C ATOM 1644 CD GLU A 107 -7.040 -10.323 3.521 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -7.610 -9.638 4.396 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -5.812 -10.547 3.518 1.00 0.00 O ATOM 0 H GLU A 107 -9.447 -7.846 0.024 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.057 -8.445 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.382 -9.390 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.282 -10.353 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.560 -11.655 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.229 -11.432 1.701 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.389 -10.380 -0.089 1.00 0.00 N ATOM 1654 CA VAL A 108 -5.693 -11.008 -1.207 1.00 0.00 C ATOM 1655 C VAL A 108 -5.767 -12.532 -1.138 1.00 0.00 C ATOM 1656 O VAL A 108 -5.486 -13.137 -0.104 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.216 -10.582 -1.276 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.486 -11.367 -2.357 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.102 -9.091 -1.542 1.00 0.00 C ATOM 0 H VAL A 108 -6.236 -10.834 0.812 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.203 -10.667 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.752 -10.799 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.443 -11.053 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.537 -12.432 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.955 -11.178 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.050 -8.809 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.583 -8.853 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.591 -8.540 -0.739 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.154 -13.133 -2.258 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.268 -14.588 -2.324 1.00 0.00 C ATOM 1671 C GLN A 109 -5.275 -15.206 -3.299 1.00 0.00 C ATOM 1672 O GLN A 109 -5.521 -16.280 -3.848 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.698 -14.980 -2.704 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.745 -14.020 -2.160 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.166 -14.468 -2.444 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.430 -15.144 -3.439 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.090 -14.088 -1.568 1.00 0.00 N ATOM 0 H GLN A 109 -6.391 -12.645 -3.122 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.029 -14.980 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.781 -15.021 -3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.905 -15.983 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.611 -13.917 -1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.587 -13.034 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.825 -13.528 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.064 -14.356 -1.706 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.146 -14.534 -3.479 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.091 -15.004 -4.376 1.00 0.00 C ATOM 1688 C ASP A 110 -2.055 -13.910 -4.605 1.00 0.00 C ATOM 1689 O ASP A 110 -1.133 -13.733 -3.807 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.676 -15.456 -5.719 1.00 0.00 C ATOM 1691 CG ASP A 110 -2.627 -16.037 -6.646 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -2.067 -17.102 -6.314 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -2.364 -15.425 -7.702 1.00 0.00 O ATOM 0 H ASP A 110 -3.933 -13.653 -3.012 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.606 -15.858 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.451 -16.201 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.156 -14.607 -6.206 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.221 -13.182 -5.697 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.325 -12.095 -6.046 1.00 0.00 C ATOM 1700 C ARG A 111 -2.098 -10.998 -6.762 1.00 0.00 C ATOM 1701 O ARG A 111 -1.551 -9.945 -7.090 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.183 -12.593 -6.935 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.628 -12.952 -8.344 1.00 0.00 C ATOM 1704 CD ARG A 111 0.559 -13.215 -9.254 1.00 0.00 C ATOM 1705 NE ARG A 111 0.145 -13.467 -10.632 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.983 -13.470 -11.665 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.276 -13.238 -11.476 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.530 -13.705 -12.888 1.00 0.00 N ATOM 0 H ARG A 111 -2.979 -13.328 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 111 -0.895 -11.695 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.587 -11.823 -6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.273 -13.468 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.265 -13.836 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.229 -12.141 -8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.233 -12.358 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.119 -14.072 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.842 -13.651 -10.812 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.630 -13.057 -10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.916 -13.241 -12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.463 -13.884 -13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.174 -13.707 -13.679 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.380 -11.259 -7.002 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.218 -10.292 -7.676 1.00 0.00 C ATOM 1724 C GLY A 112 -5.230 -9.669 -6.746 1.00 0.00 C ATOM 1725 O GLY A 112 -6.183 -9.034 -7.193 1.00 0.00 O ATOM 0 H GLY A 112 -3.851 -12.125 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.593 -9.510 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.737 -10.777 -8.503 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.994 -9.840 -5.444 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.861 -9.298 -4.394 1.00 0.00 C ATOM 1731 C VAL A 113 -7.340 -9.632 -4.608 1.00 0.00 C ATOM 1732 O VAL A 113 -7.859 -9.628 -5.723 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.660 -7.770 -4.197 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.974 -7.146 -5.393 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.963 -7.056 -3.897 1.00 0.00 C ATOM 0 H VAL A 113 -4.193 -10.360 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.552 -9.796 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.013 -7.649 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.848 -6.077 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.997 -7.608 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.582 -7.303 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.773 -5.991 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.657 -7.202 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.398 -7.461 -2.983 1.00 0.00 H new ATOM 1745 N GLY A 114 -7.999 -9.917 -3.498 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.402 -10.271 -3.577 1.00 0.00 C ATOM 1747 C GLY A 114 -10.302 -9.311 -2.819 1.00 0.00 C ATOM 1748 O GLY A 114 -9.880 -8.709 -1.831 1.00 0.00 O ATOM 0 H GLY A 114 -7.599 -9.911 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.706 -10.295 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.539 -11.277 -3.182 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.542 -9.167 -3.275 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.508 -8.293 -2.617 1.00 0.00 C ATOM 1754 C TRP A 115 -13.420 -9.109 -1.709 1.00 0.00 C ATOM 1755 O TRP A 115 -13.891 -10.179 -2.094 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.363 -7.533 -3.639 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.207 -6.043 -3.570 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.978 -5.199 -4.616 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.271 -5.219 -2.398 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.892 -3.902 -4.167 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.069 -3.890 -2.812 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.481 -5.473 -1.039 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.068 -2.823 -1.921 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.480 -4.410 -0.156 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.274 -3.099 -0.600 1.00 0.00 C ATOM 0 H TRP A 115 -11.903 -9.646 -4.100 1.00 0.00 H new ATOM 0 HA TRP A 115 -11.948 -7.568 -2.026 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.100 -7.870 -4.641 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.411 -7.787 -3.482 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.879 -5.505 -5.647 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.724 -3.082 -4.750 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.641 -6.481 -0.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.910 -1.811 -2.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.641 -4.594 0.896 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.278 -2.290 0.116 1.00 0.00 H new ATOM 1776 N SER A 116 -13.669 -8.604 -0.506 1.00 0.00 N ATOM 1777 CA SER A 116 -14.535 -9.295 0.439 1.00 0.00 C ATOM 1778 C SER A 116 -16.001 -9.103 0.063 1.00 0.00 C ATOM 1779 O SER A 116 -16.719 -10.072 -0.187 1.00 0.00 O ATOM 1780 CB SER A 116 -14.291 -8.788 1.862 1.00 0.00 C ATOM 1781 OG SER A 116 -13.005 -9.165 2.326 1.00 0.00 O ATOM 0 H SER A 116 -13.285 -7.723 -0.164 1.00 0.00 H new ATOM 0 HA SER A 116 -14.299 -10.358 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.385 -7.702 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.054 -9.189 2.530 1.00 0.00 H new ATOM 0 HG SER A 116 -12.380 -8.422 2.197 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.439 -7.846 0.020 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.821 -7.526 -0.329 1.00 0.00 C ATOM 1789 C HIS A 117 -17.898 -6.198 -1.084 1.00 0.00 C ATOM 1790 O HIS A 117 -17.223 -5.234 -0.723 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.686 -7.449 0.931 1.00 0.00 C ATOM 1792 CG HIS A 117 -18.669 -8.701 1.753 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -17.876 -8.857 2.871 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -19.355 -9.862 1.618 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -18.073 -10.058 3.385 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -18.966 -10.687 2.645 1.00 0.00 N ATOM 0 H HIS A 117 -15.857 -7.033 0.222 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.196 -8.320 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.343 -6.617 1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.714 -7.229 0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.074 -10.095 0.846 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -17.586 -10.457 4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -19.311 -11.633 2.809 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.727 -6.130 -2.141 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.891 -4.916 -2.941 1.00 0.00 C ATOM 1807 C PRO A 118 -19.894 -3.946 -2.316 1.00 0.00 C ATOM 1808 O PRO A 118 -20.019 -3.872 -1.094 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.424 -5.465 -4.260 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.259 -6.626 -3.849 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.572 -7.230 -2.648 1.00 0.00 C ATOM 0 HA PRO A 118 -17.969 -4.343 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.011 -4.719 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.614 -5.769 -4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.272 -6.309 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -20.342 -7.353 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.291 -7.561 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.975 -8.100 -2.923 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.602 -3.205 -3.164 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.588 -2.243 -2.710 1.00 0.00 C ATOM 1821 C LEU A 119 -22.679 -2.907 -1.869 1.00 0.00 C ATOM 1822 O LEU A 119 -23.106 -4.024 -2.161 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.211 -1.543 -3.919 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.208 -0.964 -4.924 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.060 -0.290 -4.193 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.700 -2.045 -5.861 1.00 0.00 C ATOM 0 H LEU A 119 -20.506 -3.258 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.084 -1.512 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.854 -2.253 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.851 -0.736 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.716 -0.212 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.355 0.117 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.448 0.517 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.551 -1.020 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.990 -1.612 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.207 -2.826 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.538 -2.475 -6.409 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.137 -2.217 -0.808 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.186 -2.724 0.081 1.00 0.00 C ATOM 1840 C PRO A 120 -25.578 -2.470 -0.490 1.00 0.00 C ATOM 1841 O PRO A 120 -25.727 -2.257 -1.692 1.00 0.00 O ATOM 1842 CB PRO A 120 -23.969 -1.912 1.353 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.439 -0.603 0.873 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.668 -0.881 -0.392 1.00 0.00 C ATOM 0 HA PRO A 120 -24.130 -3.802 0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -24.899 -1.785 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -23.264 -2.404 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.253 0.097 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.795 -0.147 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -22.871 -0.131 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.593 -0.873 -0.214 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.602 -2.494 0.365 1.00 0.00 N ATOM 1853 CA GLN A 121 -27.971 -2.266 -0.064 1.00 0.00 C ATOM 1854 C GLN A 121 -28.535 -0.977 0.525 1.00 0.00 C ATOM 1855 O GLN A 121 -28.706 -0.862 1.739 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.843 -3.439 0.370 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.765 -4.642 -0.554 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.644 -5.786 -0.088 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.196 -6.669 0.645 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -30.903 -5.776 -0.509 1.00 0.00 N ATOM 0 H GLN A 121 -26.501 -2.671 1.364 1.00 0.00 H new ATOM 0 HA GLN A 121 -27.972 -2.175 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.549 -3.745 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.879 -3.106 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.063 -4.345 -1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -27.732 -4.983 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.232 -5.025 -1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.541 -6.520 -0.226 1.00 0.00 H new ATOM 1869 N CYS A 122 -28.822 -0.008 -0.340 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.395 1.252 0.120 1.00 0.00 C ATOM 1871 C CYS A 122 -30.901 1.249 -0.123 1.00 0.00 C ATOM 1872 O CYS A 122 -31.357 1.343 -1.264 1.00 0.00 O ATOM 1873 CB CYS A 122 -28.743 2.444 -0.582 1.00 0.00 C ATOM 1874 SG CYS A 122 -26.998 2.728 -0.128 1.00 0.00 S ATOM 0 H CYS A 122 -28.670 -0.069 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.203 1.351 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -28.805 2.293 -1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -29.316 3.342 -0.352 1.00 0.00 H new ATOM 1879 N GLU A 123 -31.669 1.142 0.957 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.126 1.102 0.856 1.00 0.00 C ATOM 1881 C GLU A 123 -33.758 2.223 1.668 1.00 0.00 C ATOM 1882 O GLU A 123 -33.248 2.630 2.712 1.00 0.00 O ATOM 1883 CB GLU A 123 -33.657 -0.244 1.351 1.00 0.00 C ATOM 1884 CG GLU A 123 -32.996 -1.444 0.696 1.00 0.00 C ATOM 1885 CD GLU A 123 -33.262 -1.522 -0.794 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -34.359 -1.978 -1.177 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -32.373 -1.128 -1.578 1.00 0.00 O ATOM 0 H GLU A 123 -31.309 1.082 1.910 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.392 1.233 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.513 -0.306 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.731 -0.289 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -31.920 -1.398 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -33.356 -2.356 1.173 1.00 0.00 H new ATOM 1894 N ILE A 124 -34.883 2.709 1.156 1.00 0.00 N ATOM 1895 CA ILE A 124 -35.618 3.794 1.792 1.00 0.00 C ATOM 1896 C ILE A 124 -36.100 3.393 3.184 1.00 0.00 C ATOM 1897 O ILE A 124 -36.448 2.237 3.424 1.00 0.00 O ATOM 1898 CB ILE A 124 -36.828 4.218 0.931 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -37.535 5.426 1.551 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -37.796 3.057 0.765 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -36.790 6.728 1.356 1.00 0.00 C ATOM 0 H ILE A 124 -35.308 2.365 0.295 1.00 0.00 H new ATOM 0 HA ILE A 124 -34.934 4.637 1.887 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.464 4.506 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.530 5.517 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.669 5.250 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -38.643 3.373 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.287 2.226 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.153 2.738 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -37.349 7.540 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -35.805 6.656 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -36.679 6.927 0.290 1.00 0.00 H new ATOM 1913 N LEU A 125 -36.112 4.358 4.096 1.00 0.00 N ATOM 1914 CA LEU A 125 -36.548 4.114 5.464 1.00 0.00 C ATOM 1915 C LEU A 125 -38.047 3.832 5.511 1.00 0.00 C ATOM 1916 O LEU A 125 -38.495 2.909 6.191 1.00 0.00 O ATOM 1917 CB LEU A 125 -36.216 5.321 6.344 1.00 0.00 C ATOM 1918 CG LEU A 125 -34.740 5.730 6.362 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -34.567 7.055 7.089 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -33.892 4.649 7.016 1.00 0.00 C ATOM 0 H LEU A 125 -35.824 5.319 3.911 1.00 0.00 H new ATOM 0 HA LEU A 125 -36.020 3.239 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -36.808 6.171 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -36.528 5.102 7.365 1.00 0.00 H new ATOM 0 HG LEU A 125 -34.404 5.852 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -33.513 7.333 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -35.143 7.827 6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -34.921 6.956 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -32.847 4.959 7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -34.227 4.494 8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -33.993 3.719 6.457 1.00 0.00 H new ATOM 1932 N GLU A 126 -38.814 4.634 4.779 1.00 0.00 N ATOM 1933 CA GLU A 126 -40.265 4.480 4.733 1.00 0.00 C ATOM 1934 C GLU A 126 -40.702 3.811 3.434 1.00 0.00 C ATOM 1935 O GLU A 126 -40.108 4.033 2.380 1.00 0.00 O ATOM 1936 CB GLU A 126 -40.944 5.844 4.873 1.00 0.00 C ATOM 1937 CG GLU A 126 -42.458 5.791 4.745 1.00 0.00 C ATOM 1938 CD GLU A 126 -43.088 7.170 4.729 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.195 7.760 3.634 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -43.474 7.660 5.811 1.00 0.00 O ATOM 0 H GLU A 126 -38.454 5.399 4.208 1.00 0.00 H new ATOM 0 HA GLU A 126 -40.566 3.843 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -40.685 6.271 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -40.548 6.517 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -42.724 5.263 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -42.870 5.217 5.575 1.00 0.00 H new ATOM 1947 N HIS A 127 -41.746 2.992 3.517 1.00 0.00 N ATOM 1948 CA HIS A 127 -42.265 2.292 2.347 1.00 0.00 C ATOM 1949 C HIS A 127 -43.147 3.216 1.511 1.00 0.00 C ATOM 1950 O HIS A 127 -43.800 4.113 2.042 1.00 0.00 O ATOM 1951 CB HIS A 127 -43.059 1.057 2.778 1.00 0.00 C ATOM 1952 CG HIS A 127 -43.552 0.229 1.633 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -42.834 -0.820 1.099 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -44.701 0.298 0.918 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -43.519 -1.360 0.106 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -44.655 -0.700 -0.024 1.00 0.00 N ATOM 0 H HIS A 127 -42.249 2.797 4.382 1.00 0.00 H new ATOM 0 HA HIS A 127 -41.420 1.975 1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -42.431 0.438 3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -43.911 1.375 3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -45.504 1.006 1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -43.203 -2.199 -0.497 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -45.381 -0.899 -0.712 1.00 0.00 H new ATOM 1965 N HIS A 128 -43.160 2.992 0.198 1.00 0.00 N ATOM 1966 CA HIS A 128 -43.962 3.807 -0.708 1.00 0.00 C ATOM 1967 C HIS A 128 -44.575 2.956 -1.816 1.00 0.00 C ATOM 1968 O HIS A 128 -44.425 1.734 -1.830 1.00 0.00 O ATOM 1969 CB HIS A 128 -43.110 4.921 -1.317 1.00 0.00 C ATOM 1970 CG HIS A 128 -41.879 4.422 -2.008 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -40.664 4.084 -1.519 1.00 0.00 N flip ATOM 1972 CD2 HIS A 128 -41.809 4.224 -3.372 1.00 0.00 C flip ATOM 1973 CE1 HIS A 128 -39.891 3.691 -2.583 1.00 0.00 C flip ATOM 1974 NE2 HIS A 128 -40.605 3.784 -3.690 1.00 0.00 N flip ATOM 0 H HIS A 128 -42.625 2.254 -0.260 1.00 0.00 H new ATOM 0 HA HIS A 128 -44.772 4.252 -0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -43.715 5.482 -2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -42.819 5.616 -0.530 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -42.613 4.401 -4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -38.865 3.359 -2.524 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -40.282 3.555 -4.630 1.00 0.00 H new ATOM 1983 N HIS A 129 -45.265 3.613 -2.744 1.00 0.00 N ATOM 1984 CA HIS A 129 -45.906 2.925 -3.859 1.00 0.00 C ATOM 1985 C HIS A 129 -45.638 3.654 -5.172 1.00 0.00 C ATOM 1986 O HIS A 129 -45.723 3.068 -6.250 1.00 0.00 O ATOM 1987 CB HIS A 129 -47.415 2.828 -3.619 1.00 0.00 C ATOM 1988 CG HIS A 129 -48.083 4.161 -3.488 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -49.010 4.631 -4.395 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -47.957 5.128 -2.548 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -49.423 5.829 -4.019 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -48.801 6.152 -2.900 1.00 0.00 N ATOM 0 H HIS A 129 -45.394 4.625 -2.745 1.00 0.00 H new ATOM 0 HA HIS A 129 -45.486 1.921 -3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -47.872 2.280 -4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -47.595 2.249 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -47.312 5.099 -1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -50.146 6.440 -4.539 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -48.927 7.021 -2.381 1.00 0.00 H new ATOM 2001 N HIS A 130 -45.313 4.939 -5.067 1.00 0.00 N ATOM 2002 CA HIS A 130 -45.034 5.759 -6.240 1.00 0.00 C ATOM 2003 C HIS A 130 -43.662 6.421 -6.125 1.00 0.00 C ATOM 2004 O HIS A 130 -43.332 7.007 -5.094 1.00 0.00 O ATOM 2005 CB HIS A 130 -46.118 6.826 -6.400 1.00 0.00 C ATOM 2006 CG HIS A 130 -46.001 7.621 -7.665 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -45.489 8.899 -7.705 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -46.342 7.313 -8.940 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -45.518 9.345 -8.949 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -46.031 8.401 -9.718 1.00 0.00 N ATOM 0 H HIS A 130 -45.236 5.435 -4.179 1.00 0.00 H new ATOM 0 HA HIS A 130 -45.032 5.114 -7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -47.096 6.345 -6.373 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -46.074 7.506 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -46.777 6.385 -9.281 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -45.180 10.316 -9.280 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -46.173 8.469 -10.726 1.00 0.00 H new ATOM 2019 N HIS A 131 -42.868 6.322 -7.188 1.00 0.00 N ATOM 2020 CA HIS A 131 -41.531 6.908 -7.202 1.00 0.00 C ATOM 2021 C HIS A 131 -41.167 7.399 -8.602 1.00 0.00 C ATOM 2022 O HIS A 131 -41.701 6.911 -9.598 1.00 0.00 O ATOM 2023 CB HIS A 131 -40.502 5.881 -6.721 1.00 0.00 C ATOM 2024 CG HIS A 131 -39.093 6.390 -6.721 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -38.163 6.031 -7.674 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -38.455 7.233 -5.873 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -37.015 6.631 -7.413 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -37.166 7.365 -6.327 1.00 0.00 N ATOM 0 H HIS A 131 -43.127 5.842 -8.050 1.00 0.00 H new ATOM 0 HA HIS A 131 -41.525 7.763 -6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -40.764 5.564 -5.712 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -40.559 4.998 -7.357 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -38.881 7.711 -5.003 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -36.107 6.537 -7.991 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -36.442 7.938 -5.894 1.00 0.00 H new ATOM 2037 N HIS A 132 -40.256 8.367 -8.667 1.00 0.00 N ATOM 2038 CA HIS A 132 -39.821 8.921 -9.943 1.00 0.00 C ATOM 2039 C HIS A 132 -39.150 7.852 -10.802 1.00 0.00 C ATOM 2040 O HIS A 132 -37.930 7.640 -10.638 1.00 0.00 O ATOM 2041 CB HIS A 132 -38.857 10.088 -9.716 1.00 0.00 C ATOM 2042 CG HIS A 132 -39.503 11.291 -9.103 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -39.087 11.844 -7.910 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -40.536 12.055 -9.530 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -39.834 12.896 -7.630 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -40.721 13.046 -8.596 1.00 0.00 N ATOM 2047 OXT HIS A 132 -39.852 7.234 -11.631 1.00 0.00 O ATOM 0 H HIS A 132 -39.806 8.782 -7.851 1.00 0.00 H new ATOM 0 HA HIS A 132 -40.703 9.285 -10.471 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -38.043 9.755 -9.072 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -38.413 10.372 -10.670 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -41.108 11.912 -10.435 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -39.736 13.527 -6.759 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -41.429 13.779 -8.642 1.00 0.00 H new TER 2056 HIS A 132