USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.037 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.251 USER MOD Single : A 5 SER OG : rot 159:sc= 0.0618 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.335 X(o=0.34,f=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00197 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= -0.0397 (180deg=-1.16) USER MOD Single : A 27 ASN : amide:sc= -1.68 K(o=-1.7,f=-6.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.581 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 44 THR OG1 : rot 41:sc= 0.699 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 55 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.042) USER MOD Single : A 57 ASN : amide:sc= -4.38! C(o=-4.4!,f=-5.9!) USER MOD Single : A 62 LYS NZ :NH3+ -126:sc= 1.27 (180deg=-0.0539) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot -78:sc= -1.18 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -120:sc= -0.0126 USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.59) USER MOD Single : A 95 CYS SG : rot -49:sc= -0.7 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 154:sc= 0.018 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -157:sc= -0.0699 (180deg=-1.29) USER MOD Single : A 113 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.7!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -15:sc= 0.86 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0034 USER MOD Single : A 128 SER OG : rot 180:sc= -0.286 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.092 7.938 4.123 1.00 0.00 N ATOM 2 CA GLY A 1 13.615 9.259 4.419 1.00 0.00 C ATOM 3 C GLY A 1 12.598 10.143 5.113 1.00 0.00 C ATOM 4 O GLY A 1 11.698 9.650 5.793 1.00 0.00 O ATOM 0 H1 GLY A 1 13.752 7.216 4.476 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.169 7.818 4.586 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.980 7.832 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.499 9.163 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.934 9.736 3.492 1.00 0.00 H new ATOM 8 N SER A 2 12.741 11.454 4.944 1.00 0.00 N ATOM 9 CA SER A 2 11.831 12.409 5.565 1.00 0.00 C ATOM 10 C SER A 2 11.630 12.086 7.042 1.00 0.00 C ATOM 11 O SER A 2 10.519 12.180 7.564 1.00 0.00 O ATOM 12 CB SER A 2 10.483 12.404 4.842 1.00 0.00 C ATOM 13 OG SER A 2 10.534 13.188 3.662 1.00 0.00 O ATOM 0 H SER A 2 13.479 11.879 4.382 1.00 0.00 H new ATOM 0 HA SER A 2 12.275 13.401 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.206 11.380 4.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.709 12.790 5.506 1.00 0.00 H new ATOM 0 HG SER A 2 9.661 13.167 3.217 1.00 0.00 H new ATOM 19 N SER A 3 12.713 11.705 7.711 1.00 0.00 N ATOM 20 CA SER A 3 12.656 11.364 9.128 1.00 0.00 C ATOM 21 C SER A 3 11.721 10.183 9.365 1.00 0.00 C ATOM 22 O SER A 3 10.995 10.141 10.358 1.00 0.00 O ATOM 23 CB SER A 3 12.191 12.570 9.946 1.00 0.00 C ATOM 24 OG SER A 3 12.411 12.363 11.330 1.00 0.00 O ATOM 0 H SER A 3 13.641 11.625 7.295 1.00 0.00 H new ATOM 0 HA SER A 3 13.658 11.081 9.449 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.725 13.462 9.619 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.131 12.749 9.766 1.00 0.00 H new ATOM 0 HG SER A 3 11.963 11.539 11.613 1.00 0.00 H new ATOM 30 N GLY A 4 11.745 9.223 8.445 1.00 0.00 N ATOM 31 CA GLY A 4 10.895 8.053 8.571 1.00 0.00 C ATOM 32 C GLY A 4 9.551 8.237 7.895 1.00 0.00 C ATOM 33 O GLY A 4 9.484 8.586 6.716 1.00 0.00 O ATOM 0 H GLY A 4 12.338 9.235 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.402 7.191 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.740 7.833 9.627 1.00 0.00 H new ATOM 37 N SER A 5 8.477 8.002 8.642 1.00 0.00 N ATOM 38 CA SER A 5 7.128 8.138 8.106 1.00 0.00 C ATOM 39 C SER A 5 6.139 8.503 9.209 1.00 0.00 C ATOM 40 O SER A 5 6.271 8.057 10.349 1.00 0.00 O ATOM 41 CB SER A 5 6.693 6.839 7.425 1.00 0.00 C ATOM 42 OG SER A 5 6.614 5.776 8.359 1.00 0.00 O ATOM 0 H SER A 5 8.515 7.716 9.620 1.00 0.00 H new ATOM 0 HA SER A 5 7.136 8.941 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.723 6.982 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.401 6.583 6.637 1.00 0.00 H new ATOM 0 HG SER A 5 6.028 5.074 8.006 1.00 0.00 H new ATOM 48 N SER A 6 5.148 9.319 8.861 1.00 0.00 N ATOM 49 CA SER A 6 4.139 9.748 9.822 1.00 0.00 C ATOM 50 C SER A 6 2.742 9.669 9.213 1.00 0.00 C ATOM 51 O SER A 6 2.384 10.465 8.347 1.00 0.00 O ATOM 52 CB SER A 6 4.424 11.176 10.289 1.00 0.00 C ATOM 53 OG SER A 6 5.356 11.187 11.357 1.00 0.00 O ATOM 0 H SER A 6 5.023 9.696 7.921 1.00 0.00 H new ATOM 0 HA SER A 6 4.181 9.078 10.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.813 11.763 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.496 11.650 10.608 1.00 0.00 H new ATOM 0 HG SER A 6 5.523 12.111 11.636 1.00 0.00 H new ATOM 59 N GLY A 7 1.956 8.700 9.675 1.00 0.00 N ATOM 60 CA GLY A 7 0.607 8.533 9.165 1.00 0.00 C ATOM 61 C GLY A 7 0.394 7.176 8.524 1.00 0.00 C ATOM 62 O GLY A 7 1.190 6.742 7.691 1.00 0.00 O ATOM 0 H GLY A 7 2.229 8.029 10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.105 8.662 9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.399 9.314 8.433 1.00 0.00 H new ATOM 66 N LEU A 8 -0.684 6.503 8.913 1.00 0.00 N ATOM 67 CA LEU A 8 -1.000 5.186 8.372 1.00 0.00 C ATOM 68 C LEU A 8 -2.232 5.247 7.475 1.00 0.00 C ATOM 69 O LEU A 8 -3.175 5.991 7.747 1.00 0.00 O ATOM 70 CB LEU A 8 -1.231 4.188 9.508 1.00 0.00 C ATOM 71 CG LEU A 8 -1.001 2.716 9.165 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.550 1.945 10.396 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.264 2.101 8.581 1.00 0.00 C ATOM 0 H LEU A 8 -1.353 6.848 9.601 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.153 4.854 7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.575 4.454 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.255 4.302 9.862 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.212 2.656 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.391 0.899 10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.381 2.370 10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.316 2.012 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.082 1.053 8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.073 2.173 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.543 2.636 7.673 1.00 0.00 H new ATOM 85 N VAL A 9 -2.219 4.458 6.406 1.00 0.00 N ATOM 86 CA VAL A 9 -3.337 4.420 5.470 1.00 0.00 C ATOM 87 C VAL A 9 -4.336 3.333 5.852 1.00 0.00 C ATOM 88 O VAL A 9 -5.510 3.613 6.094 1.00 0.00 O ATOM 89 CB VAL A 9 -2.854 4.174 4.028 1.00 0.00 C ATOM 90 CG1 VAL A 9 -4.035 4.131 3.070 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.858 5.245 3.611 1.00 0.00 C ATOM 0 H VAL A 9 -1.447 3.836 6.166 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.826 5.393 5.520 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.351 3.208 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.675 3.956 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.709 3.325 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.568 5.081 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.527 5.056 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.334 6.224 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.998 5.223 4.281 1.00 0.00 H new ATOM 101 N ARG A 10 -3.862 2.093 5.904 1.00 0.00 N ATOM 102 CA ARG A 10 -4.713 0.963 6.256 1.00 0.00 C ATOM 103 C ARG A 10 -3.938 -0.071 7.067 1.00 0.00 C ATOM 104 O ARG A 10 -2.709 -0.116 7.021 1.00 0.00 O ATOM 105 CB ARG A 10 -5.283 0.314 4.993 1.00 0.00 C ATOM 106 CG ARG A 10 -6.577 -0.447 5.231 1.00 0.00 C ATOM 107 CD ARG A 10 -6.976 -1.262 4.010 1.00 0.00 C ATOM 108 NE ARG A 10 -7.345 -0.412 2.881 1.00 0.00 N ATOM 109 CZ ARG A 10 -8.454 0.319 2.843 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.297 0.303 3.866 1.00 0.00 N ATOM 111 NH2 ARG A 10 -8.720 1.067 1.780 1.00 0.00 N ATOM 0 H ARG A 10 -2.892 1.845 5.707 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.535 1.336 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.458 1.087 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.541 -0.368 4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.459 -1.109 6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.373 0.255 5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.149 -1.910 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.814 -1.910 4.265 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.717 -0.378 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.095 -0.271 4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.148 0.865 3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.073 1.081 0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.571 1.628 1.751 1.00 0.00 H new ATOM 125 N GLY A 11 -4.665 -0.900 7.809 1.00 0.00 N ATOM 126 CA GLY A 11 -4.029 -1.922 8.620 1.00 0.00 C ATOM 127 C GLY A 11 -4.941 -3.102 8.887 1.00 0.00 C ATOM 128 O GLY A 11 -5.757 -3.069 9.808 1.00 0.00 O ATOM 0 H GLY A 11 -5.683 -0.882 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.127 -2.271 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.717 -1.486 9.569 1.00 0.00 H new ATOM 132 N GLY A 12 -4.806 -4.149 8.079 1.00 0.00 N ATOM 133 CA GLY A 12 -5.633 -5.329 8.248 1.00 0.00 C ATOM 134 C GLY A 12 -4.830 -6.613 8.187 1.00 0.00 C ATOM 135 O GLY A 12 -3.614 -6.584 7.997 1.00 0.00 O ATOM 0 H GLY A 12 -4.138 -4.201 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.150 -5.272 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.399 -5.346 7.473 1.00 0.00 H new ATOM 139 N TRP A 13 -5.510 -7.742 8.351 1.00 0.00 N ATOM 140 CA TRP A 13 -4.851 -9.043 8.316 1.00 0.00 C ATOM 141 C TRP A 13 -5.013 -9.698 6.949 1.00 0.00 C ATOM 142 O TRP A 13 -6.121 -9.790 6.420 1.00 0.00 O ATOM 143 CB TRP A 13 -5.421 -9.956 9.403 1.00 0.00 C ATOM 144 CG TRP A 13 -5.048 -9.530 10.791 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.626 -8.533 11.525 1.00 0.00 C ATOM 146 CD2 TRP A 13 -4.015 -10.087 11.610 1.00 0.00 C ATOM 147 NE1 TRP A 13 -5.013 -8.437 12.751 1.00 0.00 N ATOM 148 CE2 TRP A 13 -4.022 -9.380 12.828 1.00 0.00 C ATOM 149 CE3 TRP A 13 -3.085 -11.115 11.434 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -3.135 -9.669 13.862 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -2.205 -11.401 12.460 1.00 0.00 C ATOM 152 CH2 TRP A 13 -2.235 -10.681 13.662 1.00 0.00 C ATOM 0 H TRP A 13 -6.517 -7.783 8.509 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.788 -8.889 8.501 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.507 -9.978 9.317 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -5.068 -10.973 9.235 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.444 -7.912 11.191 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.256 -7.772 13.485 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.055 -11.676 10.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.156 -9.115 14.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.482 -12.193 12.334 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.535 -10.929 14.446 1.00 0.00 H new ATOM 163 N LEU A 14 -3.901 -10.152 6.380 1.00 0.00 N ATOM 164 CA LEU A 14 -3.920 -10.800 5.073 1.00 0.00 C ATOM 165 C LEU A 14 -3.134 -12.107 5.102 1.00 0.00 C ATOM 166 O LEU A 14 -2.220 -12.275 5.909 1.00 0.00 O ATOM 167 CB LEU A 14 -3.340 -9.865 4.010 1.00 0.00 C ATOM 168 CG LEU A 14 -4.026 -8.507 3.864 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.158 -7.554 3.058 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.392 -8.667 3.213 1.00 0.00 C ATOM 0 H LEU A 14 -2.975 -10.083 6.803 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.956 -11.027 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.288 -9.695 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.378 -10.374 3.047 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.167 -8.084 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.663 -6.593 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.203 -7.415 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.985 -7.971 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.866 -7.690 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.274 -9.112 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.016 -9.314 3.830 1.00 0.00 H new ATOM 182 N TRP A 15 -3.494 -13.027 4.214 1.00 0.00 N ATOM 183 CA TRP A 15 -2.820 -14.318 4.137 1.00 0.00 C ATOM 184 C TRP A 15 -1.656 -14.266 3.153 1.00 0.00 C ATOM 185 O TRP A 15 -1.843 -13.975 1.972 1.00 0.00 O ATOM 186 CB TRP A 15 -3.809 -15.408 3.719 1.00 0.00 C ATOM 187 CG TRP A 15 -4.744 -15.814 4.818 1.00 0.00 C ATOM 188 CD1 TRP A 15 -6.063 -15.479 4.937 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.431 -16.629 5.952 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.588 -16.037 6.077 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.608 -16.748 6.717 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.272 -17.272 6.395 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.656 -17.482 7.899 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.321 -18.000 7.568 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.506 -18.101 8.309 1.00 0.00 C ATOM 0 H TRP A 15 -4.248 -12.903 3.538 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.426 -14.554 5.125 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.391 -15.054 2.868 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.253 -16.283 3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.612 -14.866 4.238 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.552 -15.938 6.395 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.354 -17.201 5.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.568 -17.560 8.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.431 -18.500 7.920 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.512 -18.679 9.222 1.00 0.00 H new ATOM 206 N ARG A 16 -0.456 -14.551 3.648 1.00 0.00 N ATOM 207 CA ARG A 16 0.738 -14.536 2.811 1.00 0.00 C ATOM 208 C ARG A 16 1.290 -15.946 2.626 1.00 0.00 C ATOM 209 O ARG A 16 1.360 -16.725 3.576 1.00 0.00 O ATOM 210 CB ARG A 16 1.809 -13.635 3.431 1.00 0.00 C ATOM 211 CG ARG A 16 3.153 -13.713 2.725 1.00 0.00 C ATOM 212 CD ARG A 16 4.160 -12.752 3.337 1.00 0.00 C ATOM 213 NE ARG A 16 4.778 -13.302 4.541 1.00 0.00 N ATOM 214 CZ ARG A 16 5.600 -14.345 4.534 1.00 0.00 C ATOM 215 NH1 ARG A 16 5.900 -14.949 3.393 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.123 -14.787 5.671 1.00 0.00 N ATOM 0 H ARG A 16 -0.285 -14.795 4.623 1.00 0.00 H new ATOM 0 HA ARG A 16 0.461 -14.142 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.458 -12.603 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.941 -13.909 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.538 -14.731 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.024 -13.482 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.934 -12.523 2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.663 -11.813 3.581 1.00 0.00 H new ATOM 0 HE ARG A 16 4.567 -12.861 5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.499 -14.613 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.532 -15.750 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.894 -14.326 6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.754 -15.588 5.665 1.00 0.00 H new ATOM 230 N GLN A 17 1.679 -16.267 1.396 1.00 0.00 N ATOM 231 CA GLN A 17 2.223 -17.583 1.086 1.00 0.00 C ATOM 232 C GLN A 17 3.736 -17.606 1.278 1.00 0.00 C ATOM 233 O GLN A 17 4.450 -16.746 0.763 1.00 0.00 O ATOM 234 CB GLN A 17 1.874 -17.978 -0.350 1.00 0.00 C ATOM 235 CG GLN A 17 2.141 -19.442 -0.660 1.00 0.00 C ATOM 236 CD GLN A 17 1.878 -19.788 -2.113 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.765 -20.268 -2.819 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.654 -19.546 -2.567 1.00 0.00 N ATOM 0 H GLN A 17 1.627 -15.633 0.598 1.00 0.00 H new ATOM 0 HA GLN A 17 1.777 -18.303 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.821 -17.763 -0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.449 -17.359 -1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.177 -19.678 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.513 -20.065 -0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.051 -19.147 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.418 -19.759 -3.536 1.00 0.00 H new ATOM 247 N SER A 18 4.219 -18.596 2.023 1.00 0.00 N ATOM 248 CA SER A 18 5.647 -18.728 2.286 1.00 0.00 C ATOM 249 C SER A 18 6.345 -19.457 1.142 1.00 0.00 C ATOM 250 O SER A 18 5.695 -20.010 0.255 1.00 0.00 O ATOM 251 CB SER A 18 5.877 -19.479 3.600 1.00 0.00 C ATOM 252 OG SER A 18 7.205 -19.302 4.062 1.00 0.00 O ATOM 0 H SER A 18 3.642 -19.318 2.455 1.00 0.00 H new ATOM 0 HA SER A 18 6.071 -17.727 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.176 -19.122 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.677 -20.541 3.456 1.00 0.00 H new ATOM 0 HG SER A 18 7.326 -19.790 4.903 1.00 0.00 H new ATOM 258 N SER A 19 7.674 -19.452 1.169 1.00 0.00 N ATOM 259 CA SER A 19 8.462 -20.109 0.133 1.00 0.00 C ATOM 260 C SER A 19 8.991 -21.453 0.623 1.00 0.00 C ATOM 261 O SER A 19 8.703 -22.497 0.036 1.00 0.00 O ATOM 262 CB SER A 19 9.628 -19.215 -0.294 1.00 0.00 C ATOM 263 OG SER A 19 10.067 -19.539 -1.602 1.00 0.00 O ATOM 0 H SER A 19 8.227 -19.000 1.897 1.00 0.00 H new ATOM 0 HA SER A 19 7.814 -20.284 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.321 -18.170 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.454 -19.329 0.409 1.00 0.00 H new ATOM 0 HG SER A 19 10.811 -18.953 -1.852 1.00 0.00 H new ATOM 269 N ILE A 20 9.766 -21.420 1.701 1.00 0.00 N ATOM 270 CA ILE A 20 10.335 -22.635 2.271 1.00 0.00 C ATOM 271 C ILE A 20 9.240 -23.572 2.772 1.00 0.00 C ATOM 272 O ILE A 20 9.336 -24.791 2.625 1.00 0.00 O ATOM 273 CB ILE A 20 11.293 -22.316 3.434 1.00 0.00 C ATOM 274 CG1 ILE A 20 12.419 -21.395 2.958 1.00 0.00 C ATOM 275 CG2 ILE A 20 11.864 -23.601 4.017 1.00 0.00 C ATOM 276 CD1 ILE A 20 12.999 -20.533 4.056 1.00 0.00 C ATOM 0 H ILE A 20 10.015 -20.565 2.198 1.00 0.00 H new ATOM 0 HA ILE A 20 10.894 -23.126 1.474 1.00 0.00 H new ATOM 0 HB ILE A 20 10.734 -21.802 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 20 13.215 -22.001 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 20 12.040 -20.752 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.539 -23.360 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.051 -24.225 4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.411 -24.140 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.791 -19.906 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.216 -19.901 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.409 -21.170 4.840 1.00 0.00 H new ATOM 288 N LEU A 21 8.199 -22.994 3.362 1.00 0.00 N ATOM 289 CA LEU A 21 7.084 -23.777 3.883 1.00 0.00 C ATOM 290 C LEU A 21 5.976 -23.905 2.843 1.00 0.00 C ATOM 291 O LEU A 21 5.088 -24.749 2.968 1.00 0.00 O ATOM 292 CB LEU A 21 6.533 -23.132 5.155 1.00 0.00 C ATOM 293 CG LEU A 21 5.905 -24.084 6.173 1.00 0.00 C ATOM 294 CD1 LEU A 21 6.983 -24.824 6.949 1.00 0.00 C ATOM 295 CD2 LEU A 21 4.990 -23.323 7.122 1.00 0.00 C ATOM 0 H LEU A 21 8.104 -21.987 3.491 1.00 0.00 H new ATOM 0 HA LEU A 21 7.452 -24.775 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.343 -22.592 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.785 -22.393 4.869 1.00 0.00 H new ATOM 0 HG LEU A 21 5.307 -24.818 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.516 -25.497 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.597 -25.401 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.609 -24.105 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.552 -24.017 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.566 -22.566 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.196 -22.840 6.553 1.00 0.00 H new ATOM 307 N ARG A 22 6.035 -23.063 1.816 1.00 0.00 N ATOM 308 CA ARG A 22 5.037 -23.083 0.754 1.00 0.00 C ATOM 309 C ARG A 22 3.630 -23.214 1.331 1.00 0.00 C ATOM 310 O ARG A 22 2.867 -24.096 0.938 1.00 0.00 O ATOM 311 CB ARG A 22 5.312 -24.236 -0.213 1.00 0.00 C ATOM 312 CG ARG A 22 6.474 -23.975 -1.157 1.00 0.00 C ATOM 313 CD ARG A 22 6.314 -24.740 -2.462 1.00 0.00 C ATOM 314 NE ARG A 22 7.571 -24.833 -3.199 1.00 0.00 N ATOM 315 CZ ARG A 22 8.531 -25.704 -2.909 1.00 0.00 C ATOM 316 NH1 ARG A 22 8.377 -26.553 -1.902 1.00 0.00 N ATOM 317 NH2 ARG A 22 9.646 -25.728 -3.627 1.00 0.00 N ATOM 0 H ARG A 22 6.763 -22.359 1.697 1.00 0.00 H new ATOM 0 HA ARG A 22 5.102 -22.140 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.517 -25.139 0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.414 -24.429 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.542 -22.907 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.408 -24.266 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.942 -25.743 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.566 -24.246 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 22 7.720 -24.194 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.520 -26.538 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.115 -27.221 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.767 -25.077 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.382 -26.397 -3.403 1.00 0.00 H new ATOM 331 N ARG A 23 3.296 -22.331 2.266 1.00 0.00 N ATOM 332 CA ARG A 23 1.982 -22.349 2.899 1.00 0.00 C ATOM 333 C ARG A 23 1.546 -20.939 3.288 1.00 0.00 C ATOM 334 O ARG A 23 2.380 -20.069 3.541 1.00 0.00 O ATOM 335 CB ARG A 23 2.002 -23.248 4.137 1.00 0.00 C ATOM 336 CG ARG A 23 0.618 -23.572 4.676 1.00 0.00 C ATOM 337 CD ARG A 23 0.684 -24.090 6.105 1.00 0.00 C ATOM 338 NE ARG A 23 -0.619 -24.547 6.582 1.00 0.00 N ATOM 339 CZ ARG A 23 -1.534 -23.740 7.106 1.00 0.00 C ATOM 340 NH1 ARG A 23 -1.291 -22.441 7.220 1.00 0.00 N ATOM 341 NH2 ARG A 23 -2.696 -24.231 7.517 1.00 0.00 N ATOM 0 H ARG A 23 3.916 -21.594 2.602 1.00 0.00 H new ATOM 0 HA ARG A 23 1.265 -22.747 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.514 -24.178 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.583 -22.761 4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.006 -22.679 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.144 -24.318 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.399 -24.911 6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.054 -23.301 6.760 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.838 -25.541 6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.399 -22.059 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.996 -21.824 7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.887 -25.229 7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.398 -23.610 7.919 1.00 0.00 H new ATOM 355 N TRP A 24 0.237 -20.722 3.332 1.00 0.00 N ATOM 356 CA TRP A 24 -0.309 -19.418 3.689 1.00 0.00 C ATOM 357 C TRP A 24 -0.216 -19.181 5.192 1.00 0.00 C ATOM 358 O TRP A 24 -0.316 -20.117 5.985 1.00 0.00 O ATOM 359 CB TRP A 24 -1.765 -19.309 3.232 1.00 0.00 C ATOM 360 CG TRP A 24 -1.926 -19.363 1.743 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.074 -20.482 0.975 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.954 -18.250 0.844 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.192 -20.132 -0.348 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.123 -18.768 -0.455 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.856 -16.866 1.009 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.193 -17.950 -1.580 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.925 -16.055 -0.108 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.093 -16.598 -1.389 1.00 0.00 C ATOM 0 H TRP A 24 -0.466 -21.432 3.125 1.00 0.00 H new ATOM 0 HA TRP A 24 0.282 -18.654 3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.341 -20.118 3.682 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.185 -18.374 3.602 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.095 -21.494 1.352 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.312 -20.782 -1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.729 -16.437 1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.322 -18.367 -2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.848 -14.984 0.008 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.145 -15.937 -2.242 1.00 0.00 H new ATOM 379 N LYS A 25 -0.023 -17.924 5.578 1.00 0.00 N ATOM 380 CA LYS A 25 0.082 -17.564 6.987 1.00 0.00 C ATOM 381 C LYS A 25 -0.528 -16.190 7.244 1.00 0.00 C ATOM 382 O LYS A 25 -0.624 -15.363 6.337 1.00 0.00 O ATOM 383 CB LYS A 25 1.547 -17.574 7.429 1.00 0.00 C ATOM 384 CG LYS A 25 2.408 -16.555 6.704 1.00 0.00 C ATOM 385 CD LYS A 25 3.879 -16.724 7.046 1.00 0.00 C ATOM 386 CE LYS A 25 4.247 -15.969 8.314 1.00 0.00 C ATOM 387 NZ LYS A 25 3.964 -16.770 9.537 1.00 0.00 N ATOM 0 H LYS A 25 0.064 -17.137 4.934 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.471 -18.302 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.596 -17.381 8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.960 -18.569 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.269 -16.660 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.085 -15.549 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.105 -17.783 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.490 -16.365 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.305 -15.708 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.689 -15.034 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.267 -16.270 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.584 -17.699 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.843 -16.901 10.077 1.00 0.00 H new ATOM 401 N ARG A 26 -0.936 -15.952 8.486 1.00 0.00 N ATOM 402 CA ARG A 26 -1.536 -14.677 8.862 1.00 0.00 C ATOM 403 C ARG A 26 -0.465 -13.608 9.056 1.00 0.00 C ATOM 404 O ARG A 26 0.532 -13.832 9.741 1.00 0.00 O ATOM 405 CB ARG A 26 -2.355 -14.833 10.145 1.00 0.00 C ATOM 406 CG ARG A 26 -3.783 -15.296 9.904 1.00 0.00 C ATOM 407 CD ARG A 26 -4.367 -15.965 11.138 1.00 0.00 C ATOM 408 NE ARG A 26 -3.816 -17.301 11.349 1.00 0.00 N ATOM 409 CZ ARG A 26 -4.006 -18.009 12.457 1.00 0.00 C ATOM 410 NH1 ARG A 26 -4.732 -17.510 13.449 1.00 0.00 N ATOM 411 NH2 ARG A 26 -3.472 -19.217 12.574 1.00 0.00 N ATOM 0 H ARG A 26 -0.862 -16.625 9.249 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.196 -14.362 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.856 -15.547 10.800 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.375 -13.879 10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.401 -14.443 9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.804 -15.993 9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.167 -15.348 12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.450 -16.032 11.036 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.254 -17.713 10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.145 -16.582 13.362 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.877 -18.055 14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.914 -19.604 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.619 -19.759 13.425 1.00 0.00 H new ATOM 425 N ASN A 27 -0.679 -12.446 8.448 1.00 0.00 N ATOM 426 CA ASN A 27 0.269 -11.343 8.553 1.00 0.00 C ATOM 427 C ASN A 27 -0.456 -10.000 8.546 1.00 0.00 C ATOM 428 O ASN A 27 -1.433 -9.815 7.819 1.00 0.00 O ATOM 429 CB ASN A 27 1.277 -11.397 7.404 1.00 0.00 C ATOM 430 CG ASN A 27 2.496 -12.233 7.743 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.633 -13.366 7.281 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.388 -11.676 8.553 1.00 0.00 N ATOM 0 H ASN A 27 -1.500 -12.244 7.878 1.00 0.00 H new ATOM 0 HA ASN A 27 0.801 -11.444 9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.793 -11.808 6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.593 -10.384 7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.229 -12.190 8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.233 -10.734 8.912 1.00 0.00 H new ATOM 439 N TRP A 28 0.029 -9.068 9.357 1.00 0.00 N ATOM 440 CA TRP A 28 -0.572 -7.742 9.444 1.00 0.00 C ATOM 441 C TRP A 28 0.196 -6.739 8.590 1.00 0.00 C ATOM 442 O TRP A 28 1.309 -6.340 8.935 1.00 0.00 O ATOM 443 CB TRP A 28 -0.609 -7.270 10.898 1.00 0.00 C ATOM 444 CG TRP A 28 -1.147 -5.880 11.058 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.459 -5.502 11.047 1.00 0.00 C ATOM 446 CD2 TRP A 28 -0.384 -4.683 11.251 1.00 0.00 C ATOM 447 NE1 TRP A 28 -2.558 -4.143 11.221 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.300 -3.617 11.350 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.982 -4.409 11.352 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -0.891 -2.301 11.543 1.00 0.00 C ATOM 451 CZ3 TRP A 28 1.386 -3.101 11.544 1.00 0.00 C ATOM 452 CH2 TRP A 28 0.453 -2.061 11.639 1.00 0.00 C ATOM 0 H TRP A 28 0.837 -9.205 9.964 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.592 -7.807 9.065 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.222 -7.958 11.480 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.399 -7.312 11.312 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.296 -6.173 10.920 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.428 -3.611 11.250 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.709 -5.204 11.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.609 -1.497 11.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.440 -2.877 11.622 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.801 -1.050 11.791 1.00 0.00 H new ATOM 463 N PHE A 29 -0.404 -6.334 7.476 1.00 0.00 N ATOM 464 CA PHE A 29 0.225 -5.378 6.572 1.00 0.00 C ATOM 465 C PHE A 29 -0.247 -3.958 6.869 1.00 0.00 C ATOM 466 O PHE A 29 -1.442 -3.710 7.026 1.00 0.00 O ATOM 467 CB PHE A 29 -0.085 -5.737 5.118 1.00 0.00 C ATOM 468 CG PHE A 29 0.639 -6.961 4.635 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.367 -8.205 5.182 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.593 -6.868 3.634 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.032 -9.333 4.740 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.260 -7.993 3.187 1.00 0.00 C ATOM 473 CZ PHE A 29 1.980 -9.227 3.742 1.00 0.00 C ATOM 0 H PHE A 29 -1.326 -6.653 7.177 1.00 0.00 H new ATOM 0 HA PHE A 29 1.303 -5.424 6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.158 -5.894 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.178 -4.893 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.374 -8.294 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.818 -5.906 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.810 -10.296 5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.999 -7.908 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.502 -10.107 3.396 1.00 0.00 H new ATOM 483 N ALA A 30 0.701 -3.029 6.945 1.00 0.00 N ATOM 484 CA ALA A 30 0.382 -1.634 7.221 1.00 0.00 C ATOM 485 C ALA A 30 1.114 -0.703 6.260 1.00 0.00 C ATOM 486 O ALA A 30 2.340 -0.751 6.145 1.00 0.00 O ATOM 487 CB ALA A 30 0.731 -1.288 8.661 1.00 0.00 C ATOM 0 H ALA A 30 1.695 -3.218 6.819 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.689 -1.496 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.488 -0.243 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.159 -1.924 9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.796 -1.449 8.826 1.00 0.00 H new ATOM 493 N LEU A 31 0.356 0.143 5.571 1.00 0.00 N ATOM 494 CA LEU A 31 0.933 1.085 4.618 1.00 0.00 C ATOM 495 C LEU A 31 1.202 2.433 5.280 1.00 0.00 C ATOM 496 O LEU A 31 0.381 2.932 6.050 1.00 0.00 O ATOM 497 CB LEU A 31 -0.003 1.269 3.423 1.00 0.00 C ATOM 498 CG LEU A 31 0.334 2.422 2.477 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.569 2.093 1.653 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.848 2.732 1.570 1.00 0.00 C ATOM 0 H LEU A 31 -0.659 0.196 5.654 1.00 0.00 H new ATOM 0 HA LEU A 31 1.881 0.676 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.010 0.344 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.015 1.418 3.799 1.00 0.00 H new ATOM 0 HG LEU A 31 0.548 3.307 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.793 2.925 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.416 1.923 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.384 1.195 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.589 3.555 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.094 1.850 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.709 3.013 2.177 1.00 0.00 H new ATOM 512 N TRP A 32 2.355 3.016 4.974 1.00 0.00 N ATOM 513 CA TRP A 32 2.731 4.308 5.538 1.00 0.00 C ATOM 514 C TRP A 32 2.589 5.416 4.501 1.00 0.00 C ATOM 515 O TRP A 32 2.764 5.187 3.304 1.00 0.00 O ATOM 516 CB TRP A 32 4.169 4.261 6.059 1.00 0.00 C ATOM 517 CG TRP A 32 4.379 3.234 7.130 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.226 2.164 7.085 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.729 3.181 8.405 1.00 0.00 C ATOM 520 NE1 TRP A 32 5.142 1.448 8.255 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.231 2.052 9.081 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.774 3.977 9.041 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.808 1.702 10.361 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.354 3.628 10.311 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.871 2.500 10.960 1.00 0.00 C ATOM 0 H TRP A 32 3.046 2.616 4.339 1.00 0.00 H new ATOM 0 HA TRP A 32 2.058 4.524 6.368 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.842 4.052 5.228 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.439 5.242 6.449 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.868 1.917 6.252 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.672 0.604 8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.371 4.850 8.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.205 0.832 10.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.614 4.236 10.811 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.524 2.255 11.953 1.00 0.00 H new ATOM 536 N LEU A 33 2.271 6.619 4.967 1.00 0.00 N ATOM 537 CA LEU A 33 2.105 7.765 4.079 1.00 0.00 C ATOM 538 C LEU A 33 3.382 8.029 3.287 1.00 0.00 C ATOM 539 O LEU A 33 3.331 8.411 2.118 1.00 0.00 O ATOM 540 CB LEU A 33 1.725 9.008 4.885 1.00 0.00 C ATOM 541 CG LEU A 33 0.339 8.992 5.530 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.242 10.396 5.582 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.591 8.056 4.772 1.00 0.00 C ATOM 0 H LEU A 33 2.123 6.826 5.955 1.00 0.00 H new ATOM 0 HA LEU A 33 1.304 7.536 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.468 9.148 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.788 9.876 4.228 1.00 0.00 H new ATOM 0 HG LEU A 33 0.439 8.624 6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.229 10.365 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.413 11.039 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.328 10.792 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.573 8.057 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.685 8.394 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.182 7.046 4.787 1.00 0.00 H new ATOM 555 N ASP A 34 4.525 7.820 3.931 1.00 0.00 N ATOM 556 CA ASP A 34 5.816 8.032 3.286 1.00 0.00 C ATOM 557 C ASP A 34 5.906 7.248 1.981 1.00 0.00 C ATOM 558 O ASP A 34 6.748 7.533 1.131 1.00 0.00 O ATOM 559 CB ASP A 34 6.952 7.620 4.223 1.00 0.00 C ATOM 560 CG ASP A 34 8.316 7.998 3.680 1.00 0.00 C ATOM 561 OD1 ASP A 34 8.420 9.054 3.023 1.00 0.00 O ATOM 562 OD2 ASP A 34 9.279 7.237 3.912 1.00 0.00 O ATOM 0 H ASP A 34 4.584 7.504 4.899 1.00 0.00 H new ATOM 0 HA ASP A 34 5.911 9.094 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.807 8.093 5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.914 6.543 4.384 1.00 0.00 H new ATOM 567 N GLY A 35 5.032 6.257 1.829 1.00 0.00 N ATOM 568 CA GLY A 35 5.031 5.446 0.626 1.00 0.00 C ATOM 569 C GLY A 35 5.778 4.140 0.806 1.00 0.00 C ATOM 570 O GLY A 35 6.478 3.685 -0.100 1.00 0.00 O ATOM 0 H GLY A 35 4.325 6.002 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.002 5.235 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.484 6.010 -0.189 1.00 0.00 H new ATOM 574 N THR A 36 5.632 3.534 1.980 1.00 0.00 N ATOM 575 CA THR A 36 6.301 2.273 2.278 1.00 0.00 C ATOM 576 C THR A 36 5.307 1.225 2.764 1.00 0.00 C ATOM 577 O THR A 36 4.214 1.557 3.224 1.00 0.00 O ATOM 578 CB THR A 36 7.397 2.457 3.344 1.00 0.00 C ATOM 579 OG1 THR A 36 6.872 3.168 4.470 1.00 0.00 O ATOM 580 CG2 THR A 36 8.588 3.213 2.772 1.00 0.00 C ATOM 0 H THR A 36 5.056 3.896 2.740 1.00 0.00 H new ATOM 0 HA THR A 36 6.760 1.932 1.350 1.00 0.00 H new ATOM 0 HB THR A 36 7.732 1.470 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.575 3.279 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.349 3.331 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.005 2.655 1.934 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.264 4.196 2.429 1.00 0.00 H new ATOM 588 N LEU A 37 5.692 -0.042 2.659 1.00 0.00 N ATOM 589 CA LEU A 37 4.834 -1.141 3.088 1.00 0.00 C ATOM 590 C LEU A 37 5.589 -2.093 4.009 1.00 0.00 C ATOM 591 O LEU A 37 6.520 -2.776 3.585 1.00 0.00 O ATOM 592 CB LEU A 37 4.301 -1.903 1.874 1.00 0.00 C ATOM 593 CG LEU A 37 2.976 -2.640 2.072 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.831 -1.649 2.218 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.716 -3.590 0.912 1.00 0.00 C ATOM 0 H LEU A 37 6.593 -0.334 2.280 1.00 0.00 H new ATOM 0 HA LEU A 37 3.995 -0.719 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.182 -1.198 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.054 -2.628 1.566 1.00 0.00 H new ATOM 0 HG LEU A 37 3.042 -3.226 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.896 -2.191 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.012 -1.009 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.764 -1.036 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.769 -4.106 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.670 -3.024 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.522 -4.321 0.853 1.00 0.00 H new ATOM 607 N GLY A 38 5.179 -2.136 5.274 1.00 0.00 N ATOM 608 CA GLY A 38 5.826 -3.010 6.234 1.00 0.00 C ATOM 609 C GLY A 38 4.843 -3.918 6.946 1.00 0.00 C ATOM 610 O GLY A 38 3.786 -3.472 7.392 1.00 0.00 O ATOM 0 H GLY A 38 4.410 -1.581 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.572 -3.618 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.357 -2.406 6.970 1.00 0.00 H new ATOM 614 N TYR A 39 5.191 -5.196 7.051 1.00 0.00 N ATOM 615 CA TYR A 39 4.329 -6.171 7.709 1.00 0.00 C ATOM 616 C TYR A 39 5.023 -6.777 8.926 1.00 0.00 C ATOM 617 O TYR A 39 6.146 -7.272 8.832 1.00 0.00 O ATOM 618 CB TYR A 39 3.934 -7.277 6.730 1.00 0.00 C ATOM 619 CG TYR A 39 5.072 -7.740 5.848 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.937 -8.744 6.266 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.281 -7.174 4.597 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.978 -9.169 5.464 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.319 -7.594 3.787 1.00 0.00 C ATOM 624 CZ TYR A 39 7.165 -8.591 4.226 1.00 0.00 C ATOM 625 OH TYR A 39 8.200 -9.013 3.423 1.00 0.00 O ATOM 0 H TYR A 39 6.064 -5.581 6.689 1.00 0.00 H new ATOM 0 HA TYR A 39 3.430 -5.655 8.045 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.552 -8.129 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.120 -6.919 6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.793 -9.200 7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.621 -6.392 4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.642 -9.950 5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.467 -7.144 2.816 1.00 0.00 H new ATOM 0 HH TYR A 39 8.192 -8.505 2.585 1.00 0.00 H new ATOM 635 N TYR A 40 4.344 -6.733 10.067 1.00 0.00 N ATOM 636 CA TYR A 40 4.894 -7.276 11.304 1.00 0.00 C ATOM 637 C TYR A 40 4.122 -8.516 11.746 1.00 0.00 C ATOM 638 O TYR A 40 3.050 -8.814 11.219 1.00 0.00 O ATOM 639 CB TYR A 40 4.859 -6.219 12.409 1.00 0.00 C ATOM 640 CG TYR A 40 5.511 -4.912 12.018 1.00 0.00 C ATOM 641 CD1 TYR A 40 5.004 -4.145 10.977 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.634 -4.445 12.690 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.597 -2.950 10.616 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.233 -3.252 12.336 1.00 0.00 C ATOM 645 CZ TYR A 40 6.711 -2.508 11.299 1.00 0.00 C ATOM 646 OH TYR A 40 7.305 -1.319 10.943 1.00 0.00 O ATOM 0 H TYR A 40 3.413 -6.327 10.161 1.00 0.00 H new ATOM 0 HA TYR A 40 5.929 -7.563 11.117 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.822 -6.029 12.686 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.358 -6.614 13.294 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.132 -4.488 10.441 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.045 -5.025 13.503 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.191 -2.366 9.804 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.106 -2.904 12.869 1.00 0.00 H new ATOM 0 HH TYR A 40 8.077 -1.152 11.523 1.00 0.00 H new ATOM 656 N HIS A 41 4.676 -9.234 12.717 1.00 0.00 N ATOM 657 CA HIS A 41 4.040 -10.442 13.232 1.00 0.00 C ATOM 658 C HIS A 41 2.567 -10.191 13.542 1.00 0.00 C ATOM 659 O HIS A 41 1.688 -10.885 13.031 1.00 0.00 O ATOM 660 CB HIS A 41 4.761 -10.927 14.490 1.00 0.00 C ATOM 661 CG HIS A 41 6.025 -11.678 14.203 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.496 -12.694 15.008 1.00 0.00 N ATOM 663 CD2 HIS A 41 6.917 -11.557 13.192 1.00 0.00 C ATOM 664 CE1 HIS A 41 7.623 -13.165 14.505 1.00 0.00 C ATOM 665 NE2 HIS A 41 7.900 -12.492 13.402 1.00 0.00 N ATOM 0 H HIS A 41 5.563 -9.001 13.163 1.00 0.00 H new ATOM 0 HA HIS A 41 4.106 -11.213 12.464 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.993 -10.068 15.120 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.089 -11.568 15.060 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.865 -10.855 12.373 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.217 -13.964 14.924 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.712 -12.643 12.804 1.00 0.00 H new ATOM 674 N ASP A 42 2.305 -9.194 14.381 1.00 0.00 N ATOM 675 CA ASP A 42 0.939 -8.851 14.758 1.00 0.00 C ATOM 676 C ASP A 42 0.729 -7.341 14.724 1.00 0.00 C ATOM 677 O ASP A 42 1.678 -6.577 14.555 1.00 0.00 O ATOM 678 CB ASP A 42 0.621 -9.392 16.153 1.00 0.00 C ATOM 679 CG ASP A 42 0.277 -10.868 16.138 1.00 0.00 C ATOM 680 OD1 ASP A 42 1.010 -11.641 15.487 1.00 0.00 O ATOM 681 OD2 ASP A 42 -0.727 -11.250 16.775 1.00 0.00 O ATOM 0 H ASP A 42 3.021 -8.610 14.813 1.00 0.00 H new ATOM 0 HA ASP A 42 0.263 -9.310 14.036 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.478 -9.228 16.807 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.213 -8.832 16.575 1.00 0.00 H new ATOM 686 N GLU A 43 -0.521 -6.918 14.885 1.00 0.00 N ATOM 687 CA GLU A 43 -0.855 -5.499 14.871 1.00 0.00 C ATOM 688 C GLU A 43 0.246 -4.674 15.531 1.00 0.00 C ATOM 689 O GLU A 43 0.619 -3.608 15.040 1.00 0.00 O ATOM 690 CB GLU A 43 -2.186 -5.258 15.586 1.00 0.00 C ATOM 691 CG GLU A 43 -2.221 -5.801 17.005 1.00 0.00 C ATOM 692 CD GLU A 43 -3.634 -6.014 17.513 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.477 -6.507 16.735 1.00 0.00 O ATOM 694 OE2 GLU A 43 -3.896 -5.688 18.690 1.00 0.00 O ATOM 0 H GLU A 43 -1.319 -7.538 15.027 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.947 -5.184 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.387 -4.187 15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.988 -5.720 15.009 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.679 -6.746 17.042 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.701 -5.109 17.668 1.00 0.00 H new ATOM 701 N THR A 44 0.764 -5.175 16.648 1.00 0.00 N ATOM 702 CA THR A 44 1.821 -4.486 17.377 1.00 0.00 C ATOM 703 C THR A 44 3.153 -4.592 16.645 1.00 0.00 C ATOM 704 O THR A 44 3.774 -5.654 16.617 1.00 0.00 O ATOM 705 CB THR A 44 1.983 -5.052 18.801 1.00 0.00 C ATOM 706 OG1 THR A 44 2.253 -6.457 18.741 1.00 0.00 O ATOM 707 CG2 THR A 44 0.730 -4.806 19.627 1.00 0.00 C ATOM 0 H THR A 44 0.468 -6.056 17.068 1.00 0.00 H new ATOM 0 HA THR A 44 1.528 -3.438 17.442 1.00 0.00 H new ATOM 0 HB THR A 44 2.819 -4.541 19.279 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.873 -6.640 18.004 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.868 -5.214 20.628 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.544 -3.734 19.695 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.121 -5.293 19.151 1.00 0.00 H new ATOM 715 N ALA A 45 3.588 -3.484 16.053 1.00 0.00 N ATOM 716 CA ALA A 45 4.849 -3.453 15.323 1.00 0.00 C ATOM 717 C ALA A 45 6.037 -3.554 16.274 1.00 0.00 C ATOM 718 O ALA A 45 6.616 -2.541 16.668 1.00 0.00 O ATOM 719 CB ALA A 45 4.945 -2.184 14.489 1.00 0.00 C ATOM 0 H ALA A 45 3.085 -2.596 16.065 1.00 0.00 H new ATOM 0 HA ALA A 45 4.876 -4.316 14.657 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.892 -2.174 13.949 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.121 -2.154 13.776 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.891 -1.314 15.143 1.00 0.00 H new ATOM 725 N GLN A 46 6.394 -4.781 16.640 1.00 0.00 N ATOM 726 CA GLN A 46 7.512 -5.012 17.546 1.00 0.00 C ATOM 727 C GLN A 46 8.646 -5.745 16.836 1.00 0.00 C ATOM 728 O GLN A 46 9.819 -5.418 17.016 1.00 0.00 O ATOM 729 CB GLN A 46 7.052 -5.817 18.762 1.00 0.00 C ATOM 730 CG GLN A 46 5.966 -5.128 19.572 1.00 0.00 C ATOM 731 CD GLN A 46 5.466 -5.980 20.723 1.00 0.00 C ATOM 732 OE1 GLN A 46 5.497 -7.209 20.659 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.003 -5.330 21.784 1.00 0.00 N ATOM 0 H GLN A 46 5.925 -5.630 16.323 1.00 0.00 H new ATOM 0 HA GLN A 46 7.883 -4.043 17.879 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.684 -6.787 18.427 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.910 -6.007 19.407 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.352 -4.186 19.963 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.130 -4.882 18.917 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.996 -4.310 21.794 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.654 -5.851 22.589 1.00 0.00 H new ATOM 742 N ASP A 47 8.288 -6.738 16.029 1.00 0.00 N ATOM 743 CA ASP A 47 9.275 -7.517 15.291 1.00 0.00 C ATOM 744 C ASP A 47 9.074 -7.364 13.786 1.00 0.00 C ATOM 745 O ASP A 47 8.502 -8.238 13.135 1.00 0.00 O ATOM 746 CB ASP A 47 9.187 -8.993 15.682 1.00 0.00 C ATOM 747 CG ASP A 47 9.845 -9.278 17.018 1.00 0.00 C ATOM 748 OD1 ASP A 47 11.075 -9.496 17.038 1.00 0.00 O ATOM 749 OD2 ASP A 47 9.131 -9.284 18.042 1.00 0.00 O ATOM 0 H ASP A 47 7.321 -7.022 15.869 1.00 0.00 H new ATOM 0 HA ASP A 47 10.265 -7.139 15.547 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.140 -9.293 15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.661 -9.599 14.910 1.00 0.00 H new ATOM 754 N GLU A 48 9.547 -6.247 13.242 1.00 0.00 N ATOM 755 CA GLU A 48 9.416 -5.979 11.814 1.00 0.00 C ATOM 756 C GLU A 48 10.001 -7.123 10.991 1.00 0.00 C ATOM 757 O GLU A 48 11.154 -7.510 11.179 1.00 0.00 O ATOM 758 CB GLU A 48 10.115 -4.667 11.453 1.00 0.00 C ATOM 759 CG GLU A 48 11.631 -4.770 11.429 1.00 0.00 C ATOM 760 CD GLU A 48 12.311 -3.461 11.777 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.995 -2.438 11.134 1.00 0.00 O ATOM 762 OE2 GLU A 48 13.158 -3.459 12.694 1.00 0.00 O ATOM 0 H GLU A 48 10.024 -5.514 13.767 1.00 0.00 H new ATOM 0 HA GLU A 48 8.355 -5.892 11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.766 -4.337 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.823 -3.900 12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.950 -5.539 12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.954 -5.090 10.438 1.00 0.00 H new ATOM 769 N GLU A 49 9.197 -7.659 10.078 1.00 0.00 N ATOM 770 CA GLU A 49 9.634 -8.759 9.227 1.00 0.00 C ATOM 771 C GLU A 49 10.374 -8.236 7.999 1.00 0.00 C ATOM 772 O GLU A 49 11.413 -8.772 7.612 1.00 0.00 O ATOM 773 CB GLU A 49 8.436 -9.605 8.792 1.00 0.00 C ATOM 774 CG GLU A 49 7.956 -10.575 9.858 1.00 0.00 C ATOM 775 CD GLU A 49 6.742 -11.371 9.419 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.537 -11.515 8.196 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.997 -11.849 10.300 1.00 0.00 O ATOM 0 H GLU A 49 8.240 -7.349 9.909 1.00 0.00 H new ATOM 0 HA GLU A 49 10.318 -9.381 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.614 -8.943 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.704 -10.166 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.764 -11.262 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.714 -10.021 10.765 1.00 0.00 H new ATOM 784 N ASP A 50 9.832 -7.187 7.391 1.00 0.00 N ATOM 785 CA ASP A 50 10.440 -6.590 6.208 1.00 0.00 C ATOM 786 C ASP A 50 9.754 -5.276 5.848 1.00 0.00 C ATOM 787 O ASP A 50 8.764 -4.890 6.471 1.00 0.00 O ATOM 788 CB ASP A 50 10.366 -7.559 5.027 1.00 0.00 C ATOM 789 CG ASP A 50 11.516 -7.378 4.056 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.647 -7.784 4.396 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.286 -6.831 2.958 1.00 0.00 O ATOM 0 H ASP A 50 8.972 -6.732 7.698 1.00 0.00 H new ATOM 0 HA ASP A 50 11.486 -6.382 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.368 -8.583 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.423 -7.413 4.500 1.00 0.00 H new ATOM 796 N ARG A 51 10.286 -4.593 4.840 1.00 0.00 N ATOM 797 CA ARG A 51 9.726 -3.321 4.400 1.00 0.00 C ATOM 798 C ARG A 51 10.012 -3.085 2.919 1.00 0.00 C ATOM 799 O ARG A 51 11.166 -3.080 2.492 1.00 0.00 O ATOM 800 CB ARG A 51 10.300 -2.171 5.230 1.00 0.00 C ATOM 801 CG ARG A 51 9.507 -0.880 5.113 1.00 0.00 C ATOM 802 CD ARG A 51 10.056 0.197 6.035 1.00 0.00 C ATOM 803 NE ARG A 51 11.384 0.645 5.623 1.00 0.00 N ATOM 804 CZ ARG A 51 12.209 1.321 6.414 1.00 0.00 C ATOM 805 NH1 ARG A 51 11.846 1.625 7.653 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.401 1.695 5.967 1.00 0.00 N ATOM 0 H ARG A 51 11.104 -4.899 4.313 1.00 0.00 H new ATOM 0 HA ARG A 51 8.646 -3.359 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.335 -2.472 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.328 -1.986 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.535 -0.527 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.462 -1.071 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.374 1.047 6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.103 -0.187 7.054 1.00 0.00 H new ATOM 0 HE ARG A 51 11.694 0.427 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.931 1.339 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.482 2.144 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.684 1.463 5.015 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.034 2.214 6.575 1.00 0.00 H new ATOM 820 N VAL A 52 8.952 -2.890 2.141 1.00 0.00 N ATOM 821 CA VAL A 52 9.088 -2.653 0.709 1.00 0.00 C ATOM 822 C VAL A 52 8.621 -1.251 0.337 1.00 0.00 C ATOM 823 O VAL A 52 7.826 -0.640 1.051 1.00 0.00 O ATOM 824 CB VAL A 52 8.287 -3.683 -0.109 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.809 -5.089 0.145 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.805 -3.588 0.220 1.00 0.00 C ATOM 0 H VAL A 52 7.989 -2.892 2.479 1.00 0.00 H new ATOM 0 HA VAL A 52 10.147 -2.755 0.471 1.00 0.00 H new ATOM 0 HB VAL A 52 8.416 -3.459 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.231 -5.803 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.858 -5.146 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.713 -5.327 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.254 -4.323 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.655 -3.785 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.443 -2.588 -0.018 1.00 0.00 H new ATOM 836 N VAL A 53 9.119 -0.745 -0.787 1.00 0.00 N ATOM 837 CA VAL A 53 8.752 0.586 -1.255 1.00 0.00 C ATOM 838 C VAL A 53 7.432 0.555 -2.018 1.00 0.00 C ATOM 839 O VAL A 53 7.191 -0.344 -2.824 1.00 0.00 O ATOM 840 CB VAL A 53 9.843 1.182 -2.164 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.438 2.566 -2.648 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.176 1.234 -1.432 1.00 0.00 C ATOM 0 H VAL A 53 9.778 -1.237 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 53 8.643 1.214 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 53 9.957 0.537 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.221 2.971 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.508 2.497 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.294 3.224 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.936 1.658 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.078 1.856 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.470 0.226 -1.140 1.00 0.00 H new ATOM 852 N ILE A 54 6.582 1.542 -1.758 1.00 0.00 N ATOM 853 CA ILE A 54 5.287 1.628 -2.422 1.00 0.00 C ATOM 854 C ILE A 54 5.260 2.773 -3.429 1.00 0.00 C ATOM 855 O ILE A 54 4.742 2.628 -4.536 1.00 0.00 O ATOM 856 CB ILE A 54 4.146 1.826 -1.406 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.977 0.573 -0.545 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.848 2.160 -2.126 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.965 -0.712 -1.344 1.00 0.00 C ATOM 0 H ILE A 54 6.766 2.293 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 54 5.137 0.684 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 54 4.402 2.660 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.787 0.531 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.046 0.651 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.051 2.297 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.976 3.078 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.586 1.345 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.842 -1.559 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.139 -0.691 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.906 -0.813 -1.885 1.00 0.00 H new ATOM 871 N HIS A 55 5.824 3.912 -3.037 1.00 0.00 N ATOM 872 CA HIS A 55 5.868 5.082 -3.907 1.00 0.00 C ATOM 873 C HIS A 55 6.569 4.756 -5.222 1.00 0.00 C ATOM 874 O HIS A 55 7.728 4.341 -5.233 1.00 0.00 O ATOM 875 CB HIS A 55 6.584 6.237 -3.207 1.00 0.00 C ATOM 876 CG HIS A 55 6.362 7.565 -3.864 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.348 8.236 -4.556 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.259 8.346 -3.932 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.861 9.373 -5.020 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.595 9.463 -4.656 1.00 0.00 N ATOM 0 H HIS A 55 6.256 4.049 -2.123 1.00 0.00 H new ATOM 0 HA HIS A 55 4.843 5.379 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.244 6.291 -2.173 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.653 6.028 -3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.294 8.131 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.406 10.104 -5.599 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.968 10.237 -4.877 1.00 0.00 H new ATOM 889 N PHE A 56 5.858 4.945 -6.329 1.00 0.00 N ATOM 890 CA PHE A 56 6.411 4.669 -7.649 1.00 0.00 C ATOM 891 C PHE A 56 7.309 3.436 -7.616 1.00 0.00 C ATOM 892 O PHE A 56 8.422 3.452 -8.138 1.00 0.00 O ATOM 893 CB PHE A 56 7.202 5.876 -8.157 1.00 0.00 C ATOM 894 CG PHE A 56 6.347 6.915 -8.825 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.967 6.770 -10.150 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.924 8.036 -8.129 1.00 0.00 C ATOM 897 CE1 PHE A 56 5.181 7.725 -10.767 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.138 8.994 -8.742 1.00 0.00 C ATOM 899 CZ PHE A 56 4.765 8.837 -10.062 1.00 0.00 C ATOM 0 H PHE A 56 4.898 5.288 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 56 5.582 4.475 -8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.729 6.334 -7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.960 5.533 -8.861 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.288 5.902 -10.706 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.212 8.163 -7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.892 7.601 -11.800 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.816 9.864 -8.189 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.149 9.583 -10.542 1.00 0.00 H new ATOM 909 N ASN A 57 6.815 2.368 -6.997 1.00 0.00 N ATOM 910 CA ASN A 57 7.572 1.126 -6.894 1.00 0.00 C ATOM 911 C ASN A 57 6.741 -0.060 -7.375 1.00 0.00 C ATOM 912 O ASN A 57 7.260 -0.980 -8.007 1.00 0.00 O ATOM 913 CB ASN A 57 8.021 0.896 -5.450 1.00 0.00 C ATOM 914 CG ASN A 57 9.324 0.125 -5.365 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.399 0.672 -5.611 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.234 -1.152 -5.014 1.00 0.00 N ATOM 0 H ASN A 57 5.894 2.338 -6.559 1.00 0.00 H new ATOM 0 HA ASN A 57 8.452 1.213 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.138 1.858 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.244 0.351 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.077 -1.721 -4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.322 -1.564 -4.819 1.00 0.00 H new ATOM 923 N VAL A 58 5.447 -0.030 -7.072 1.00 0.00 N ATOM 924 CA VAL A 58 4.543 -1.101 -7.474 1.00 0.00 C ATOM 925 C VAL A 58 4.394 -1.153 -8.991 1.00 0.00 C ATOM 926 O VAL A 58 3.801 -0.261 -9.598 1.00 0.00 O ATOM 927 CB VAL A 58 3.151 -0.928 -6.838 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.227 -2.061 -7.260 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.263 -0.857 -5.323 1.00 0.00 C ATOM 0 H VAL A 58 5.001 0.724 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 58 4.981 -2.035 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 58 2.723 0.010 -7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.248 -1.922 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.123 -2.060 -8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.648 -3.013 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.270 -0.735 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.712 -1.777 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.888 -0.008 -5.044 1.00 0.00 H new ATOM 939 N ARG A 59 4.936 -2.205 -9.597 1.00 0.00 N ATOM 940 CA ARG A 59 4.864 -2.374 -11.043 1.00 0.00 C ATOM 941 C ARG A 59 3.453 -2.763 -11.476 1.00 0.00 C ATOM 942 O ARG A 59 2.940 -2.265 -12.478 1.00 0.00 O ATOM 943 CB ARG A 59 5.862 -3.437 -11.504 1.00 0.00 C ATOM 944 CG ARG A 59 5.789 -3.736 -12.993 1.00 0.00 C ATOM 945 CD ARG A 59 6.420 -5.080 -13.322 1.00 0.00 C ATOM 946 NE ARG A 59 6.149 -5.489 -14.698 1.00 0.00 N ATOM 947 CZ ARG A 59 6.705 -4.914 -15.759 1.00 0.00 C ATOM 948 NH1 ARG A 59 7.558 -3.911 -15.603 1.00 0.00 N ATOM 949 NH2 ARG A 59 6.408 -5.343 -16.979 1.00 0.00 N ATOM 0 H ARG A 59 5.429 -2.952 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 59 5.118 -1.421 -11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.871 -3.107 -11.257 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.683 -4.357 -10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.748 -3.733 -13.315 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.297 -2.948 -13.549 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.497 -5.023 -13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.039 -5.837 -12.637 1.00 0.00 H new ATOM 0 HE ARG A 59 5.497 -6.258 -14.853 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.789 -3.579 -14.667 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.983 -3.472 -16.419 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.752 -6.115 -17.103 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.835 -4.901 -17.793 1.00 0.00 H new ATOM 963 N ASP A 60 2.832 -3.657 -10.713 1.00 0.00 N ATOM 964 CA ASP A 60 1.481 -4.114 -11.017 1.00 0.00 C ATOM 965 C ASP A 60 0.878 -4.854 -9.827 1.00 0.00 C ATOM 966 O ASP A 60 1.572 -5.160 -8.857 1.00 0.00 O ATOM 967 CB ASP A 60 1.491 -5.022 -12.247 1.00 0.00 C ATOM 968 CG ASP A 60 0.097 -5.457 -12.657 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.401 -6.455 -12.096 1.00 0.00 O ATOM 970 OD2 ASP A 60 -0.494 -4.800 -13.539 1.00 0.00 O ATOM 0 H ASP A 60 3.243 -4.079 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 60 0.866 -3.239 -11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.964 -4.498 -13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.097 -5.904 -12.039 1.00 0.00 H new ATOM 975 N ILE A 61 -0.418 -5.139 -9.909 1.00 0.00 N ATOM 976 CA ILE A 61 -1.113 -5.843 -8.839 1.00 0.00 C ATOM 977 C ILE A 61 -2.292 -6.643 -9.384 1.00 0.00 C ATOM 978 O ILE A 61 -3.159 -6.103 -10.071 1.00 0.00 O ATOM 979 CB ILE A 61 -1.623 -4.868 -7.762 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.451 -4.116 -7.128 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.414 -5.618 -6.700 1.00 0.00 C ATOM 982 CD1 ILE A 61 -0.880 -2.985 -6.220 1.00 0.00 C ATOM 0 H ILE A 61 -1.007 -4.893 -10.705 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.391 -6.524 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.284 -4.142 -8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.156 -4.819 -6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.184 -3.716 -7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.768 -4.915 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.267 -6.113 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.774 -6.364 -6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.002 -2.497 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.461 -2.261 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.490 -3.381 -5.408 1.00 0.00 H new ATOM 994 N LYS A 62 -2.319 -7.934 -9.071 1.00 0.00 N ATOM 995 CA LYS A 62 -3.393 -8.810 -9.525 1.00 0.00 C ATOM 996 C LYS A 62 -4.338 -9.152 -8.378 1.00 0.00 C ATOM 997 O LYS A 62 -3.947 -9.130 -7.211 1.00 0.00 O ATOM 998 CB LYS A 62 -2.813 -10.094 -10.122 1.00 0.00 C ATOM 999 CG LYS A 62 -1.812 -9.848 -11.238 1.00 0.00 C ATOM 1000 CD LYS A 62 -2.436 -9.073 -12.386 1.00 0.00 C ATOM 1001 CE LYS A 62 -1.701 -9.327 -13.694 1.00 0.00 C ATOM 1002 NZ LYS A 62 -0.429 -8.557 -13.774 1.00 0.00 N ATOM 0 H LYS A 62 -1.609 -8.397 -8.504 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.958 -8.282 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.329 -10.666 -9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.629 -10.707 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.958 -9.295 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.433 -10.802 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.482 -9.359 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.419 -8.007 -12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.488 -10.392 -13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.344 -9.054 -14.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.418 -7.995 -14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.356 -7.922 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.376 -9.216 -13.775 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.584 -9.468 -8.718 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.584 -9.817 -7.717 1.00 0.00 C ATOM 1018 C VAL A 63 -7.597 -10.811 -8.275 1.00 0.00 C ATOM 1019 O VAL A 63 -8.103 -10.642 -9.383 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.332 -8.569 -7.211 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.429 -8.963 -6.234 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.360 -7.590 -6.569 1.00 0.00 C ATOM 0 H VAL A 63 -5.924 -9.489 -9.679 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.051 -10.275 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.799 -8.076 -8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.946 -8.068 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.140 -9.623 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.989 -9.480 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.905 -6.714 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.863 -8.071 -5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.615 -7.283 -7.303 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.889 -11.850 -7.497 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.840 -12.856 -7.931 1.00 0.00 C ATOM 1034 C GLY A 64 -8.354 -13.631 -9.139 1.00 0.00 C ATOM 1035 O GLY A 64 -7.163 -13.910 -9.267 1.00 0.00 O ATOM 0 H GLY A 64 -7.484 -12.012 -6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.030 -13.549 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.789 -12.376 -8.169 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.280 -13.982 -10.027 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.938 -14.732 -11.230 1.00 0.00 C ATOM 1041 C GLN A 65 -7.595 -14.278 -11.791 1.00 0.00 C ATOM 1042 O GLN A 65 -6.773 -15.099 -12.197 1.00 0.00 O ATOM 1043 CB GLN A 65 -10.030 -14.564 -12.288 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.777 -15.364 -13.556 1.00 0.00 C ATOM 1045 CD GLN A 65 -10.028 -16.847 -13.369 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -11.172 -17.282 -13.233 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -8.958 -17.633 -13.363 1.00 0.00 N ATOM 0 H GLN A 65 -10.271 -13.759 -9.936 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.861 -15.786 -10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.987 -14.867 -11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.116 -13.508 -12.545 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.419 -14.988 -14.353 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.747 -15.211 -13.878 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.028 -17.230 -13.479 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.066 -18.640 -13.242 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.380 -12.966 -11.811 1.00 0.00 N ATOM 1057 CA GLU A 66 -6.136 -12.404 -12.325 1.00 0.00 C ATOM 1058 C GLU A 66 -4.958 -13.325 -12.023 1.00 0.00 C ATOM 1059 O GLU A 66 -4.102 -13.558 -12.878 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.886 -11.022 -11.718 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.925 -9.986 -12.116 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.422 -8.565 -11.953 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.413 -8.215 -12.600 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -7.038 -7.802 -11.179 1.00 0.00 O ATOM 0 H GLU A 66 -8.050 -12.273 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.230 -12.306 -13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.869 -11.109 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.900 -10.672 -12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.216 -10.148 -13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.820 -10.123 -11.509 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.920 -13.846 -10.801 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.846 -14.740 -10.384 1.00 0.00 C ATOM 1073 C CYS A 67 -3.499 -15.727 -11.494 1.00 0.00 C ATOM 1074 O CYS A 67 -4.350 -16.084 -12.308 1.00 0.00 O ATOM 1075 CB CYS A 67 -4.248 -15.498 -9.118 1.00 0.00 C ATOM 1076 SG CYS A 67 -5.572 -16.703 -9.369 1.00 0.00 S ATOM 0 H CYS A 67 -5.621 -13.664 -10.082 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.964 -14.135 -10.172 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.373 -16.013 -8.722 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.564 -14.779 -8.362 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.715 -16.086 -9.426 1.00 0.00 H new ATOM 1082 N GLN A 68 -2.243 -16.163 -11.520 1.00 0.00 N ATOM 1083 CA GLN A 68 -1.783 -17.106 -12.532 1.00 0.00 C ATOM 1084 C GLN A 68 -1.029 -18.267 -11.892 1.00 0.00 C ATOM 1085 O GLN A 68 -1.199 -19.422 -12.283 1.00 0.00 O ATOM 1086 CB GLN A 68 -0.886 -16.399 -13.550 1.00 0.00 C ATOM 1087 CG GLN A 68 0.183 -15.525 -12.914 1.00 0.00 C ATOM 1088 CD GLN A 68 1.140 -14.940 -13.934 1.00 0.00 C ATOM 1089 OE1 GLN A 68 0.789 -14.026 -14.679 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.359 -15.466 -13.971 1.00 0.00 N ATOM 0 H GLN A 68 -1.527 -15.878 -10.852 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.658 -17.504 -13.045 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.405 -17.147 -14.180 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.506 -15.784 -14.203 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.295 -14.715 -12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.745 -16.114 -12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.607 -16.223 -13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.047 -15.113 -14.636 1.00 0.00 H new ATOM 1099 N ASP A 69 -0.196 -17.952 -10.906 1.00 0.00 N ATOM 1100 CA ASP A 69 0.584 -18.969 -10.210 1.00 0.00 C ATOM 1101 C ASP A 69 0.331 -18.914 -8.707 1.00 0.00 C ATOM 1102 O ASP A 69 1.254 -19.056 -7.905 1.00 0.00 O ATOM 1103 CB ASP A 69 2.075 -18.782 -10.496 1.00 0.00 C ATOM 1104 CG ASP A 69 2.838 -20.092 -10.469 1.00 0.00 C ATOM 1105 OD1 ASP A 69 2.837 -20.800 -11.498 1.00 0.00 O ATOM 1106 OD2 ASP A 69 3.436 -20.409 -9.420 1.00 0.00 O ATOM 0 H ASP A 69 -0.044 -17.001 -10.571 1.00 0.00 H new ATOM 0 HA ASP A 69 0.271 -19.946 -10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.199 -18.313 -11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.501 -18.101 -9.759 1.00 0.00 H new ATOM 1111 N VAL A 70 -0.927 -18.706 -8.331 1.00 0.00 N ATOM 1112 CA VAL A 70 -1.303 -18.632 -6.924 1.00 0.00 C ATOM 1113 C VAL A 70 -2.593 -19.400 -6.659 1.00 0.00 C ATOM 1114 O VAL A 70 -3.496 -19.422 -7.494 1.00 0.00 O ATOM 1115 CB VAL A 70 -1.484 -17.173 -6.467 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -1.603 -17.098 -4.953 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -0.331 -16.313 -6.963 1.00 0.00 C ATOM 0 H VAL A 70 -1.703 -18.586 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.491 -19.084 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.407 -16.787 -6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.730 -16.059 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.465 -17.680 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.699 -17.501 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.475 -15.285 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.607 -16.696 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.298 -16.341 -8.052 1.00 0.00 H new ATOM 1127 N GLN A 71 -2.671 -20.028 -5.490 1.00 0.00 N ATOM 1128 CA GLN A 71 -3.852 -20.798 -5.114 1.00 0.00 C ATOM 1129 C GLN A 71 -4.338 -20.405 -3.723 1.00 0.00 C ATOM 1130 O GLN A 71 -3.550 -20.182 -2.804 1.00 0.00 O ATOM 1131 CB GLN A 71 -3.544 -22.296 -5.156 1.00 0.00 C ATOM 1132 CG GLN A 71 -4.764 -23.160 -5.429 1.00 0.00 C ATOM 1133 CD GLN A 71 -4.406 -24.609 -5.695 1.00 0.00 C ATOM 1134 OE1 GLN A 71 -3.482 -25.152 -5.089 1.00 0.00 O ATOM 1135 NE2 GLN A 71 -5.137 -25.243 -6.604 1.00 0.00 N ATOM 0 H GLN A 71 -1.932 -20.019 -4.787 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.643 -20.577 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.797 -22.483 -5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.103 -22.595 -4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.440 -23.108 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.303 -22.760 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.894 -24.753 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.942 -26.220 -6.824 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.667 -20.316 -3.564 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.288 -19.950 -2.287 1.00 0.00 C ATOM 1146 C PRO A 72 -6.135 -21.042 -1.234 1.00 0.00 C ATOM 1147 O PRO A 72 -6.225 -22.235 -1.524 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.763 -19.762 -2.652 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.965 -20.607 -3.861 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.665 -20.568 -4.616 1.00 0.00 C ATOM 0 HA PRO A 72 -5.827 -19.065 -1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.415 -20.075 -1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.990 -18.716 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.225 -21.629 -3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.783 -20.225 -4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.473 -21.507 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.662 -19.781 -5.370 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.900 -20.627 0.020 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.731 -21.554 1.142 1.00 0.00 C ATOM 1160 C PRO A 73 -7.032 -22.257 1.515 1.00 0.00 C ATOM 1161 O PRO A 73 -8.000 -22.231 0.757 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.267 -20.647 2.285 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.800 -19.300 1.939 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.781 -19.220 0.438 1.00 0.00 C ATOM 0 HA PRO A 73 -5.032 -22.356 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.653 -20.991 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.180 -20.634 2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.811 -19.170 2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.188 -18.513 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.605 -18.617 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.859 -18.768 0.071 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.046 -22.883 2.687 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.229 -23.593 3.159 1.00 0.00 C ATOM 1174 C GLU A 74 -9.337 -22.613 3.537 1.00 0.00 C ATOM 1175 O GLU A 74 -9.100 -21.634 4.243 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.879 -24.472 4.361 1.00 0.00 C ATOM 1177 CG GLU A 74 -8.849 -25.620 4.579 1.00 0.00 C ATOM 1178 CD GLU A 74 -8.521 -26.435 5.816 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -8.846 -25.976 6.931 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -7.940 -27.530 5.669 1.00 0.00 O ATOM 0 H GLU A 74 -6.252 -22.913 3.327 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.588 -24.226 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.876 -24.876 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.854 -23.853 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.861 -25.224 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.837 -26.272 3.705 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.548 -22.886 3.061 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.674 -22.020 3.358 1.00 0.00 C ATOM 1189 C GLY A 75 -11.820 -20.893 2.354 1.00 0.00 C ATOM 1190 O GLY A 75 -12.833 -20.798 1.661 1.00 0.00 O ATOM 0 H GLY A 75 -10.769 -23.691 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.590 -22.611 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.552 -21.600 4.356 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.807 -20.037 2.277 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.828 -18.909 1.353 1.00 0.00 C ATOM 1196 C ARG A 76 -11.244 -19.359 -0.044 1.00 0.00 C ATOM 1197 O ARG A 76 -11.457 -20.547 -0.287 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.452 -18.242 1.297 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.246 -17.181 2.365 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.773 -17.640 3.715 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.664 -16.594 4.729 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.265 -16.652 5.913 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.013 -17.700 6.229 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -10.118 -15.661 6.782 1.00 0.00 N ATOM 0 H ARG A 76 -9.961 -20.103 2.843 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.559 -18.187 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.682 -19.007 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.317 -17.788 0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.184 -16.948 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.752 -16.262 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.816 -17.940 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.218 -18.520 4.041 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.095 -15.774 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.128 -18.464 5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.473 -17.742 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.543 -14.853 6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.580 -15.707 7.690 1.00 0.00 H new ATOM 1218 N SER A 77 -11.359 -18.402 -0.959 1.00 0.00 N ATOM 1219 CA SER A 77 -11.754 -18.699 -2.331 1.00 0.00 C ATOM 1220 C SER A 77 -10.922 -17.891 -3.323 1.00 0.00 C ATOM 1221 O SER A 77 -10.306 -16.889 -2.961 1.00 0.00 O ATOM 1222 CB SER A 77 -13.241 -18.400 -2.532 1.00 0.00 C ATOM 1223 OG SER A 77 -13.805 -19.255 -3.512 1.00 0.00 O ATOM 0 H SER A 77 -11.184 -17.414 -0.775 1.00 0.00 H new ATOM 0 HA SER A 77 -11.576 -19.759 -2.513 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.771 -18.524 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.369 -17.361 -2.835 1.00 0.00 H new ATOM 0 HG SER A 77 -14.756 -19.045 -3.621 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.911 -18.335 -4.576 1.00 0.00 N ATOM 1230 CA ARG A 78 -10.155 -17.655 -5.620 1.00 0.00 C ATOM 1231 C ARG A 78 -10.614 -16.207 -5.769 1.00 0.00 C ATOM 1232 O ARG A 78 -9.969 -15.407 -6.447 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.311 -18.390 -6.953 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.289 -19.496 -7.161 1.00 0.00 C ATOM 1235 CD ARG A 78 -8.980 -19.699 -8.636 1.00 0.00 C ATOM 1236 NE ARG A 78 -8.616 -21.081 -8.934 1.00 0.00 N ATOM 1237 CZ ARG A 78 -7.942 -21.446 -10.019 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -7.560 -20.535 -10.904 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -7.648 -22.724 -10.221 1.00 0.00 N ATOM 0 H ARG A 78 -11.417 -19.162 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.104 -17.657 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.312 -18.817 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.226 -17.670 -7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.371 -19.250 -6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.666 -20.426 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.849 -19.417 -9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.165 -19.038 -8.930 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.894 -21.806 -8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.784 -19.551 -10.752 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.043 -20.818 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.940 -23.428 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.130 -23.003 -11.055 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.733 -15.879 -5.133 1.00 0.00 N ATOM 1254 CA ASP A 79 -12.279 -14.528 -5.193 1.00 0.00 C ATOM 1255 C ASP A 79 -11.640 -13.635 -4.134 1.00 0.00 C ATOM 1256 O ASP A 79 -12.226 -12.641 -3.710 1.00 0.00 O ATOM 1257 CB ASP A 79 -13.796 -14.559 -5.004 1.00 0.00 C ATOM 1258 CG ASP A 79 -14.541 -14.703 -6.316 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -14.253 -13.925 -7.250 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -15.412 -15.593 -6.410 1.00 0.00 O ATOM 0 H ASP A 79 -12.280 -16.530 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.051 -14.115 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.060 -15.388 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.116 -13.643 -4.507 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.433 -13.999 -3.711 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.734 -13.221 -2.704 1.00 0.00 C ATOM 1267 C GLY A 80 -8.262 -13.048 -3.023 1.00 0.00 C ATOM 1268 O GLY A 80 -7.655 -12.040 -2.661 1.00 0.00 O ATOM 0 H GLY A 80 -9.927 -14.818 -4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.202 -12.240 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.838 -13.710 -1.735 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.686 -14.034 -3.701 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.275 -13.988 -4.068 1.00 0.00 C ATOM 1274 C LEU A 81 -5.852 -12.568 -4.430 1.00 0.00 C ATOM 1275 O LEU A 81 -6.666 -11.766 -4.891 1.00 0.00 O ATOM 1276 CB LEU A 81 -6.001 -14.929 -5.242 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.615 -16.363 -4.877 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.576 -16.928 -3.843 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.589 -17.241 -6.120 1.00 0.00 C ATOM 0 H LEU A 81 -8.174 -14.875 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.691 -14.313 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.891 -14.962 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.201 -14.501 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.615 -16.351 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.285 -17.949 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.545 -16.314 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.588 -16.927 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.312 -18.258 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.576 -17.247 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.860 -16.848 -6.828 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.576 -12.264 -4.222 1.00 0.00 N ATOM 1292 CA LEU A 82 -4.044 -10.941 -4.529 1.00 0.00 C ATOM 1293 C LEU A 82 -2.521 -10.937 -4.460 1.00 0.00 C ATOM 1294 O LEU A 82 -1.933 -11.328 -3.451 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.614 -9.904 -3.560 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.028 -8.495 -3.665 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.075 -7.453 -3.300 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -2.803 -8.359 -2.772 1.00 0.00 C ATOM 0 H LEU A 82 -3.890 -12.916 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.343 -10.682 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.691 -9.841 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.462 -10.264 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.721 -8.326 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.640 -6.457 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.923 -7.535 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.413 -7.620 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.399 -7.350 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.085 -8.549 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.046 -9.081 -3.080 1.00 0.00 H new ATOM 1310 N THR A 83 -1.885 -10.490 -5.538 1.00 0.00 N ATOM 1311 CA THR A 83 -0.430 -10.433 -5.600 1.00 0.00 C ATOM 1312 C THR A 83 0.048 -9.059 -6.055 1.00 0.00 C ATOM 1313 O THR A 83 -0.546 -8.447 -6.942 1.00 0.00 O ATOM 1314 CB THR A 83 0.134 -11.502 -6.554 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.362 -12.795 -6.189 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.655 -11.509 -6.520 1.00 0.00 C ATOM 0 H THR A 83 -2.356 -10.162 -6.381 1.00 0.00 H new ATOM 0 HA THR A 83 -0.063 -10.627 -4.592 1.00 0.00 H new ATOM 0 HB THR A 83 -0.190 -11.261 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.390 -13.384 -5.968 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.031 -12.272 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.030 -10.532 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.995 -11.727 -5.508 1.00 0.00 H new ATOM 1324 N VAL A 84 1.126 -8.579 -5.442 1.00 0.00 N ATOM 1325 CA VAL A 84 1.685 -7.278 -5.787 1.00 0.00 C ATOM 1326 C VAL A 84 3.085 -7.419 -6.374 1.00 0.00 C ATOM 1327 O VAL A 84 3.886 -8.228 -5.907 1.00 0.00 O ATOM 1328 CB VAL A 84 1.747 -6.351 -4.558 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.302 -4.988 -4.944 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.370 -6.214 -3.925 1.00 0.00 C ATOM 0 H VAL A 84 1.629 -9.072 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 84 1.024 -6.837 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 84 2.418 -6.795 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.338 -4.347 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.307 -5.106 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.659 -4.533 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.432 -5.556 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.324 -5.792 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.015 -7.195 -3.611 1.00 0.00 H new ATOM 1340 N ASN A 85 3.373 -6.625 -7.400 1.00 0.00 N ATOM 1341 CA ASN A 85 4.677 -6.661 -8.052 1.00 0.00 C ATOM 1342 C ASN A 85 5.486 -5.411 -7.719 1.00 0.00 C ATOM 1343 O ASN A 85 4.948 -4.304 -7.671 1.00 0.00 O ATOM 1344 CB ASN A 85 4.510 -6.786 -9.567 1.00 0.00 C ATOM 1345 CG ASN A 85 4.197 -8.205 -10.000 1.00 0.00 C ATOM 1346 OD1 ASN A 85 3.104 -8.754 -9.482 1.00 0.00 O flip ATOM 1347 ND2 ASN A 85 4.929 -8.801 -10.790 1.00 0.00 N flip ATOM 0 H ASN A 85 2.721 -5.949 -7.798 1.00 0.00 H new ATOM 0 HA ASN A 85 5.217 -7.532 -7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.710 -6.124 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.424 -6.452 -10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.759 -8.340 -11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.706 -9.756 -11.071 1.00 0.00 H new ATOM 1354 N LEU A 86 6.782 -5.595 -7.491 1.00 0.00 N ATOM 1355 CA LEU A 86 7.667 -4.483 -7.163 1.00 0.00 C ATOM 1356 C LEU A 86 8.622 -4.189 -8.316 1.00 0.00 C ATOM 1357 O LEU A 86 9.065 -5.100 -9.015 1.00 0.00 O ATOM 1358 CB LEU A 86 8.462 -4.795 -5.894 1.00 0.00 C ATOM 1359 CG LEU A 86 7.641 -5.213 -4.674 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.553 -5.716 -3.565 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.789 -4.053 -4.181 1.00 0.00 C ATOM 0 H LEU A 86 7.243 -6.504 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 86 7.052 -3.600 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.171 -5.591 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.046 -3.914 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 86 6.977 -6.026 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.952 -6.009 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.120 -6.576 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.242 -4.924 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.212 -4.369 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.434 -3.219 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.110 -3.738 -4.973 1.00 0.00 H new ATOM 1373 N ARG A 87 8.936 -2.912 -8.506 1.00 0.00 N ATOM 1374 CA ARG A 87 9.839 -2.498 -9.573 1.00 0.00 C ATOM 1375 C ARG A 87 11.176 -3.225 -9.466 1.00 0.00 C ATOM 1376 O ARG A 87 11.822 -3.507 -10.475 1.00 0.00 O ATOM 1377 CB ARG A 87 10.063 -0.986 -9.523 1.00 0.00 C ATOM 1378 CG ARG A 87 10.876 -0.530 -8.322 1.00 0.00 C ATOM 1379 CD ARG A 87 11.386 0.891 -8.502 1.00 0.00 C ATOM 1380 NE ARG A 87 12.446 0.970 -9.503 1.00 0.00 N ATOM 1381 CZ ARG A 87 13.721 0.701 -9.245 1.00 0.00 C ATOM 1382 NH1 ARG A 87 14.092 0.337 -8.025 1.00 0.00 N ATOM 1383 NH2 ARG A 87 14.629 0.795 -10.209 1.00 0.00 N ATOM 0 H ARG A 87 8.578 -2.146 -7.935 1.00 0.00 H new ATOM 0 HA ARG A 87 9.378 -2.758 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.571 -0.672 -10.435 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.095 -0.484 -9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.262 -0.586 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.719 -1.205 -8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.560 1.538 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.759 1.266 -7.549 1.00 0.00 H new ATOM 0 HE ARG A 87 12.194 1.247 -10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.398 0.263 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.072 0.131 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.348 1.074 -11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.608 0.588 -10.010 1.00 0.00 H new ATOM 1397 N GLU A 88 11.584 -3.525 -8.237 1.00 0.00 N ATOM 1398 CA GLU A 88 12.845 -4.217 -7.999 1.00 0.00 C ATOM 1399 C GLU A 88 12.837 -5.599 -8.647 1.00 0.00 C ATOM 1400 O GLU A 88 13.889 -6.191 -8.885 1.00 0.00 O ATOM 1401 CB GLU A 88 13.105 -4.348 -6.497 1.00 0.00 C ATOM 1402 CG GLU A 88 12.000 -5.074 -5.749 1.00 0.00 C ATOM 1403 CD GLU A 88 12.416 -5.484 -4.349 1.00 0.00 C ATOM 1404 OE1 GLU A 88 13.627 -5.699 -4.129 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.532 -5.591 -3.474 1.00 0.00 O ATOM 0 H GLU A 88 11.060 -3.300 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 88 13.644 -3.628 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.045 -4.879 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.228 -3.353 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.123 -4.430 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.707 -5.961 -6.311 1.00 0.00 H new ATOM 1412 N GLY A 89 11.642 -6.107 -8.929 1.00 0.00 N ATOM 1413 CA GLY A 89 11.518 -7.415 -9.546 1.00 0.00 C ATOM 1414 C GLY A 89 10.726 -8.386 -8.692 1.00 0.00 C ATOM 1415 O GLY A 89 9.801 -9.038 -9.178 1.00 0.00 O ATOM 0 H GLY A 89 10.757 -5.636 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.033 -7.311 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.512 -7.823 -9.728 1.00 0.00 H new ATOM 1419 N SER A 90 11.090 -8.485 -7.418 1.00 0.00 N ATOM 1420 CA SER A 90 10.410 -9.387 -6.496 1.00 0.00 C ATOM 1421 C SER A 90 8.939 -9.010 -6.352 1.00 0.00 C ATOM 1422 O SER A 90 8.566 -7.848 -6.518 1.00 0.00 O ATOM 1423 CB SER A 90 11.092 -9.361 -5.127 1.00 0.00 C ATOM 1424 OG SER A 90 12.414 -9.865 -5.206 1.00 0.00 O ATOM 0 H SER A 90 11.852 -7.951 -7.000 1.00 0.00 H new ATOM 0 HA SER A 90 10.470 -10.396 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.111 -8.340 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.515 -9.955 -4.418 1.00 0.00 H new ATOM 0 HG SER A 90 12.829 -9.836 -4.319 1.00 0.00 H new ATOM 1430 N ARG A 91 8.109 -9.999 -6.041 1.00 0.00 N ATOM 1431 CA ARG A 91 6.678 -9.773 -5.876 1.00 0.00 C ATOM 1432 C ARG A 91 6.233 -10.121 -4.458 1.00 0.00 C ATOM 1433 O ARG A 91 7.046 -10.510 -3.618 1.00 0.00 O ATOM 1434 CB ARG A 91 5.888 -10.603 -6.889 1.00 0.00 C ATOM 1435 CG ARG A 91 6.150 -12.097 -6.789 1.00 0.00 C ATOM 1436 CD ARG A 91 5.987 -12.782 -8.137 1.00 0.00 C ATOM 1437 NE ARG A 91 6.769 -14.013 -8.223 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.863 -14.747 -9.325 1.00 0.00 C ATOM 1439 NH1 ARG A 91 6.229 -14.377 -10.429 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.594 -15.855 -9.325 1.00 0.00 N ATOM 0 H ARG A 91 8.402 -10.965 -5.898 1.00 0.00 H new ATOM 0 HA ARG A 91 6.480 -8.716 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.823 -10.419 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.137 -10.266 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.159 -12.266 -6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.463 -12.541 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.934 -13.009 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.295 -12.100 -8.930 1.00 0.00 H new ATOM 0 HE ARG A 91 7.270 -14.325 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.667 -13.526 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.303 -14.943 -11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.084 -16.143 -8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.666 -16.419 -10.172 1.00 0.00 H new ATOM 1454 N LEU A 92 4.938 -9.980 -4.199 1.00 0.00 N ATOM 1455 CA LEU A 92 4.384 -10.279 -2.883 1.00 0.00 C ATOM 1456 C LEU A 92 3.121 -11.126 -3.004 1.00 0.00 C ATOM 1457 O LEU A 92 2.096 -10.663 -3.504 1.00 0.00 O ATOM 1458 CB LEU A 92 4.072 -8.983 -2.132 1.00 0.00 C ATOM 1459 CG LEU A 92 5.250 -8.326 -1.411 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.991 -6.841 -1.210 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.507 -9.010 -0.076 1.00 0.00 C ATOM 0 H LEU A 92 4.252 -9.661 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 92 5.128 -10.846 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.660 -8.265 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.292 -9.190 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 92 6.139 -8.438 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.840 -6.390 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.857 -6.361 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.090 -6.707 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.349 -8.529 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.619 -8.929 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.738 -10.062 -0.245 1.00 0.00 H new ATOM 1473 N HIS A 93 3.202 -12.369 -2.540 1.00 0.00 N ATOM 1474 CA HIS A 93 2.064 -13.281 -2.593 1.00 0.00 C ATOM 1475 C HIS A 93 1.141 -13.068 -1.398 1.00 0.00 C ATOM 1476 O HIS A 93 1.531 -13.292 -0.251 1.00 0.00 O ATOM 1477 CB HIS A 93 2.547 -14.731 -2.628 1.00 0.00 C ATOM 1478 CG HIS A 93 3.339 -15.070 -3.853 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.577 -14.527 -4.123 1.00 0.00 N ATOM 1480 CD2 HIS A 93 3.063 -15.904 -4.883 1.00 0.00 C ATOM 1481 CE1 HIS A 93 5.028 -15.011 -5.267 1.00 0.00 C ATOM 1482 NE2 HIS A 93 4.128 -15.849 -5.748 1.00 0.00 N ATOM 0 H HIS A 93 4.043 -12.768 -2.123 1.00 0.00 H new ATOM 0 HA HIS A 93 1.503 -13.071 -3.504 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.158 -14.923 -1.746 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.684 -15.394 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 93 2.171 -16.501 -5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.972 -14.763 -5.730 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.211 -16.371 -6.621 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.084 -12.633 -1.673 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.064 -12.389 -0.620 1.00 0.00 C ATOM 1493 C LEU A 94 -2.432 -12.936 -1.011 1.00 0.00 C ATOM 1494 O LEU A 94 -2.636 -13.374 -2.144 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.166 -10.890 -0.329 1.00 0.00 C ATOM 1496 CG LEU A 94 0.156 -10.165 -0.071 1.00 0.00 C ATOM 1497 CD1 LEU A 94 -0.053 -8.659 -0.074 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.765 -10.619 1.247 1.00 0.00 C ATOM 0 H LEU A 94 -0.422 -12.442 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.730 -12.906 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.662 -10.409 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.809 -10.752 0.540 1.00 0.00 H new ATOM 0 HG LEU A 94 0.850 -10.417 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.898 -8.159 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.444 -8.348 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.763 -8.389 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.705 -10.093 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.076 -10.398 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.952 -11.692 1.211 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.367 -12.907 -0.068 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.718 -13.399 -0.315 1.00 0.00 C ATOM 1512 C CYS A 95 -5.700 -12.827 0.702 1.00 0.00 C ATOM 1513 O CYS A 95 -5.546 -13.023 1.907 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.744 -14.928 -0.262 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.404 -15.641 -0.330 1.00 0.00 S ATOM 0 H CYS A 95 -3.215 -12.548 0.875 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.021 -13.071 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.158 -15.320 -1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.256 -15.257 0.655 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.166 -15.050 0.541 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.708 -12.116 0.208 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.715 -11.515 1.073 1.00 0.00 C ATOM 1523 C ALA A 96 -8.885 -12.467 1.298 1.00 0.00 C ATOM 1524 O ALA A 96 -9.304 -13.176 0.384 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.207 -10.203 0.479 1.00 0.00 C ATOM 0 H ALA A 96 -6.849 -11.942 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.253 -11.313 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.959 -9.765 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.369 -9.513 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.646 -10.389 -0.501 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.406 -12.478 2.521 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.527 -13.345 2.865 1.00 0.00 C ATOM 1533 C GLU A 97 -11.646 -13.222 1.835 1.00 0.00 C ATOM 1534 O GLU A 97 -12.278 -14.212 1.466 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.060 -13.000 4.257 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.418 -11.532 4.425 1.00 0.00 C ATOM 1537 CD GLU A 97 -11.691 -11.160 5.869 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -12.449 -11.894 6.537 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.147 -10.135 6.331 1.00 0.00 O ATOM 0 H GLU A 97 -9.070 -11.897 3.289 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.169 -14.375 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.943 -13.606 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.311 -13.270 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.603 -10.917 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.298 -11.305 3.823 1.00 0.00 H new ATOM 1546 N THR A 98 -11.888 -11.998 1.376 1.00 0.00 N ATOM 1547 CA THR A 98 -12.931 -11.743 0.390 1.00 0.00 C ATOM 1548 C THR A 98 -12.426 -10.831 -0.722 1.00 0.00 C ATOM 1549 O THR A 98 -11.394 -10.176 -0.579 1.00 0.00 O ATOM 1550 CB THR A 98 -14.173 -11.104 1.040 1.00 0.00 C ATOM 1551 OG1 THR A 98 -13.830 -9.834 1.607 1.00 0.00 O ATOM 1552 CG2 THR A 98 -14.746 -12.009 2.120 1.00 0.00 C ATOM 0 H THR A 98 -11.375 -11.167 1.672 1.00 0.00 H new ATOM 0 HA THR A 98 -13.208 -12.708 -0.035 1.00 0.00 H new ATOM 0 HB THR A 98 -14.929 -10.965 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.625 -9.433 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.622 -11.536 2.564 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.033 -12.964 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.994 -12.176 2.891 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.161 -10.794 -1.829 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.787 -9.962 -2.966 1.00 0.00 C ATOM 1562 C ARG A 99 -12.708 -8.492 -2.562 1.00 0.00 C ATOM 1563 O ARG A 99 -11.798 -7.773 -2.975 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.793 -10.135 -4.105 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.217 -9.771 -3.721 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.220 -10.290 -4.740 1.00 0.00 C ATOM 1567 NE ARG A 99 -16.019 -9.693 -6.057 1.00 0.00 N ATOM 1568 CZ ARG A 99 -16.623 -10.124 -7.159 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -17.461 -11.150 -7.101 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -16.389 -9.529 -8.322 1.00 0.00 N ATOM 0 H ARG A 99 -14.018 -11.330 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.802 -10.281 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.484 -9.517 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.771 -11.171 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.447 -10.185 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.307 -8.688 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.132 -11.374 -4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.231 -10.076 -4.395 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.380 -8.902 -6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.643 -11.610 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.924 -11.479 -7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.745 -8.740 -8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.853 -9.861 -9.167 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.667 -8.054 -1.754 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.707 -6.671 -1.294 1.00 0.00 C ATOM 1586 C ASP A 100 -12.358 -6.252 -0.716 1.00 0.00 C ATOM 1587 O ASP A 100 -11.777 -5.251 -1.135 1.00 0.00 O ATOM 1588 CB ASP A 100 -14.803 -6.492 -0.243 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.342 -5.076 -0.204 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.766 -4.572 -1.265 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -15.341 -4.470 0.888 1.00 0.00 O ATOM 0 H ASP A 100 -14.427 -8.637 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.929 -6.035 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.620 -7.183 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.408 -6.754 0.738 1.00 0.00 H new ATOM 1596 N ASP A 101 -11.867 -7.023 0.247 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.587 -6.732 0.882 1.00 0.00 C ATOM 1598 C ASP A 101 -9.477 -6.625 -0.158 1.00 0.00 C ATOM 1599 O ASP A 101 -8.703 -5.668 -0.157 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.243 -7.816 1.905 1.00 0.00 C ATOM 1601 CG ASP A 101 -10.790 -7.507 3.284 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -10.166 -6.697 4.001 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.842 -8.074 3.647 1.00 0.00 O ATOM 0 H ASP A 101 -12.336 -7.855 0.605 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.673 -5.774 1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.642 -8.772 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.160 -7.925 1.963 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.404 -7.613 -1.043 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.389 -7.629 -2.089 1.00 0.00 C ATOM 1610 C ALA A 102 -8.388 -6.322 -2.873 1.00 0.00 C ATOM 1611 O ALA A 102 -7.355 -5.663 -2.999 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.614 -8.808 -3.024 1.00 0.00 C ATOM 0 H ALA A 102 -10.036 -8.413 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.414 -7.737 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.849 -8.808 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.556 -9.738 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.598 -8.724 -3.485 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.551 -5.952 -3.399 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.683 -4.722 -4.171 1.00 0.00 C ATOM 1620 C ILE A 103 -9.209 -3.516 -3.368 1.00 0.00 C ATOM 1621 O ILE A 103 -8.456 -2.681 -3.869 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.140 -4.490 -4.614 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.635 -5.670 -5.452 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.253 -3.192 -5.399 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.140 -5.713 -5.605 1.00 0.00 C ATOM 0 H ILE A 103 -10.415 -6.486 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.056 -4.835 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.767 -4.411 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.179 -5.620 -6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.298 -6.599 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.288 -3.041 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.935 -2.359 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.617 -3.245 -6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.420 -6.575 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.603 -5.794 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.482 -4.800 -6.093 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.654 -3.431 -2.119 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.273 -2.329 -1.245 1.00 0.00 C ATOM 1639 C ALA A 104 -7.759 -2.147 -1.220 1.00 0.00 C ATOM 1640 O ALA A 104 -7.258 -1.025 -1.301 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.801 -2.564 0.163 1.00 0.00 C ATOM 0 H ALA A 104 -10.279 -4.113 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.717 -1.415 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.509 -1.733 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.888 -2.637 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.385 -3.491 0.558 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.036 -3.255 -1.107 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.579 -3.217 -1.071 1.00 0.00 C ATOM 1649 C TRP A 105 -5.010 -2.836 -2.433 1.00 0.00 C ATOM 1650 O TRP A 105 -4.061 -2.057 -2.526 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.023 -4.573 -0.634 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.889 -4.709 0.853 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.495 -5.639 1.649 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.101 -3.888 1.721 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.132 -5.445 2.959 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.276 -4.377 3.030 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.263 -2.788 1.520 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.645 -3.803 4.130 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.637 -2.219 2.613 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.830 -2.727 3.904 1.00 0.00 C ATOM 0 H TRP A 105 -7.435 -4.191 -1.039 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.279 -2.459 -0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.676 -5.362 -1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.047 -4.723 -1.095 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.162 -6.413 1.299 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.448 -6.005 3.751 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.107 -2.390 0.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.793 -4.193 5.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.988 -1.368 2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.326 -2.260 4.737 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.596 -3.390 -3.490 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.149 -3.107 -4.849 1.00 0.00 C ATOM 1673 C LYS A 106 -5.260 -1.618 -5.159 1.00 0.00 C ATOM 1674 O LYS A 106 -4.341 -1.019 -5.719 1.00 0.00 O ATOM 1675 CB LYS A 106 -5.973 -3.912 -5.856 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.472 -3.792 -7.285 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.389 -4.512 -8.260 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.854 -4.445 -9.682 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.949 -4.504 -10.690 1.00 0.00 N ATOM 0 H LYS A 106 -6.382 -4.038 -3.431 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.102 -3.399 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.964 -4.962 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.010 -3.578 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.402 -2.740 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.467 -4.207 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.495 -5.554 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.383 -4.066 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.288 -3.523 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.162 -5.270 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.641 -4.033 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.180 -5.497 -10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.792 -4.023 -10.316 1.00 0.00 H new ATOM 1693 N THR A 107 -6.391 -1.024 -4.791 1.00 0.00 N ATOM 1694 CA THR A 107 -6.622 0.395 -5.030 1.00 0.00 C ATOM 1695 C THR A 107 -5.786 1.254 -4.088 1.00 0.00 C ATOM 1696 O THR A 107 -5.189 2.248 -4.504 1.00 0.00 O ATOM 1697 CB THR A 107 -8.108 0.760 -4.856 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.910 -0.007 -5.761 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.334 2.244 -5.102 1.00 0.00 C ATOM 0 H THR A 107 -7.162 -1.504 -4.326 1.00 0.00 H new ATOM 0 HA THR A 107 -6.325 0.594 -6.060 1.00 0.00 H new ATOM 0 HB THR A 107 -8.398 0.530 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.854 0.230 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.391 2.477 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.745 2.824 -4.392 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.028 2.495 -6.118 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.745 0.865 -2.818 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.980 1.599 -1.818 1.00 0.00 C ATOM 1709 C ALA A 108 -3.494 1.610 -2.164 1.00 0.00 C ATOM 1710 O ALA A 108 -2.777 2.557 -1.836 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.198 0.995 -0.439 1.00 0.00 C ATOM 0 H ALA A 108 -6.233 0.045 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.333 2.630 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.621 1.553 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.257 1.044 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.873 -0.045 -0.442 1.00 0.00 H new ATOM 1717 N LEU A 109 -3.038 0.554 -2.827 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.637 0.442 -3.217 1.00 0.00 C ATOM 1719 C LEU A 109 -1.380 1.160 -4.538 1.00 0.00 C ATOM 1720 O LEU A 109 -0.562 2.077 -4.608 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.237 -1.030 -3.337 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.171 -1.817 -2.028 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.153 -3.312 -2.304 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.052 -1.407 -1.220 1.00 0.00 C ATOM 0 H LEU A 109 -3.618 -0.237 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.031 0.915 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.946 -1.525 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.261 -1.082 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.062 -1.587 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.106 -3.856 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.059 -3.594 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.281 -3.560 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.083 -1.977 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.954 -1.607 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.004 -0.343 -0.990 1.00 0.00 H new ATOM 1736 N MET A 110 -2.085 0.738 -5.582 1.00 0.00 N ATOM 1737 CA MET A 110 -1.936 1.344 -6.900 1.00 0.00 C ATOM 1738 C MET A 110 -1.877 2.864 -6.795 1.00 0.00 C ATOM 1739 O MET A 110 -1.073 3.510 -7.467 1.00 0.00 O ATOM 1740 CB MET A 110 -3.093 0.928 -7.810 1.00 0.00 C ATOM 1741 CG MET A 110 -2.947 -0.476 -8.376 1.00 0.00 C ATOM 1742 SD MET A 110 -2.067 -0.502 -9.949 1.00 0.00 S ATOM 1743 CE MET A 110 -0.598 -1.423 -9.500 1.00 0.00 C ATOM 0 H MET A 110 -2.765 -0.021 -5.541 1.00 0.00 H new ATOM 0 HA MET A 110 -0.999 0.991 -7.332 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.026 0.990 -7.249 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.169 1.637 -8.634 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.416 -1.100 -7.657 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.936 -0.914 -8.510 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.206 -1.188 -10.197 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.293 -1.152 -8.489 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.812 -2.491 -9.540 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.733 3.429 -5.950 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.778 4.874 -5.760 1.00 0.00 C ATOM 1755 C GLU A 111 -1.473 5.384 -5.156 1.00 0.00 C ATOM 1756 O GLU A 111 -0.762 6.180 -5.768 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.954 5.256 -4.859 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.242 5.524 -5.620 1.00 0.00 C ATOM 1759 CD GLU A 111 -6.175 6.460 -4.877 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -6.892 5.986 -3.971 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.188 7.666 -5.201 1.00 0.00 O ATOM 0 H GLU A 111 -3.405 2.908 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.912 5.339 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.126 4.454 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.688 6.145 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.002 5.953 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.753 4.579 -5.806 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.165 4.919 -3.949 1.00 0.00 N ATOM 1769 CA ALA A 112 0.054 5.326 -3.262 1.00 0.00 C ATOM 1770 C ALA A 112 1.267 5.204 -4.177 1.00 0.00 C ATOM 1771 O ALA A 112 2.222 5.971 -4.063 1.00 0.00 O ATOM 1772 CB ALA A 112 0.253 4.493 -2.004 1.00 0.00 C ATOM 0 H ALA A 112 -1.743 4.260 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.050 6.373 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.167 4.807 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.596 4.634 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.331 3.440 -2.274 1.00 0.00 H new ATOM 1778 N ASN A 113 1.223 4.234 -5.085 1.00 0.00 N ATOM 1779 CA ASN A 113 2.320 4.011 -6.020 1.00 0.00 C ATOM 1780 C ASN A 113 2.411 5.148 -7.033 1.00 0.00 C ATOM 1781 O ASN A 113 3.503 5.578 -7.403 1.00 0.00 O ATOM 1782 CB ASN A 113 2.135 2.678 -6.747 1.00 0.00 C ATOM 1783 CG ASN A 113 2.814 2.660 -8.103 1.00 0.00 C ATOM 1784 OD1 ASN A 113 4.012 2.919 -8.212 1.00 0.00 O ATOM 1785 ND2 ASN A 113 2.049 2.353 -9.144 1.00 0.00 N ATOM 0 H ASN A 113 0.439 3.590 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 113 3.249 3.980 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.537 1.873 -6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.070 2.481 -6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.450 2.325 -10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.060 2.145 -9.006 1.00 0.00 H new ATOM 1792 N SER A 114 1.255 5.631 -7.478 1.00 0.00 N ATOM 1793 CA SER A 114 1.204 6.715 -8.451 1.00 0.00 C ATOM 1794 C SER A 114 0.407 7.897 -7.906 1.00 0.00 C ATOM 1795 O SER A 114 -0.405 8.494 -8.614 1.00 0.00 O ATOM 1796 CB SER A 114 0.581 6.226 -9.760 1.00 0.00 C ATOM 1797 OG SER A 114 1.099 6.939 -10.869 1.00 0.00 O ATOM 0 H SER A 114 0.342 5.288 -7.180 1.00 0.00 H new ATOM 0 HA SER A 114 2.225 7.045 -8.644 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.778 5.161 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.501 6.348 -9.719 1.00 0.00 H new ATOM 0 HG SER A 114 0.686 6.607 -11.693 1.00 0.00 H new ATOM 1803 N THR A 115 0.643 8.229 -6.640 1.00 0.00 N ATOM 1804 CA THR A 115 -0.052 9.337 -5.998 1.00 0.00 C ATOM 1805 C THR A 115 0.716 9.836 -4.779 1.00 0.00 C ATOM 1806 O THR A 115 0.728 9.204 -3.722 1.00 0.00 O ATOM 1807 CB THR A 115 -1.474 8.933 -5.565 1.00 0.00 C ATOM 1808 OG1 THR A 115 -2.244 8.549 -6.710 1.00 0.00 O ATOM 1809 CG2 THR A 115 -2.166 10.080 -4.844 1.00 0.00 C ATOM 0 H THR A 115 1.311 7.746 -6.039 1.00 0.00 H new ATOM 0 HA THR A 115 -0.118 10.138 -6.735 1.00 0.00 H new ATOM 0 HB THR A 115 -1.396 8.089 -4.880 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.793 8.854 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.169 9.771 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 115 -1.593 10.351 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 115 -2.233 10.941 -5.510 1.00 0.00 H new ATOM 1817 N PRO A 116 1.373 10.996 -4.926 1.00 0.00 N ATOM 1818 CA PRO A 116 2.154 11.605 -3.846 1.00 0.00 C ATOM 1819 C PRO A 116 1.273 12.134 -2.720 1.00 0.00 C ATOM 1820 O PRO A 116 0.046 12.106 -2.813 1.00 0.00 O ATOM 1821 CB PRO A 116 2.882 12.758 -4.542 1.00 0.00 C ATOM 1822 CG PRO A 116 2.024 13.097 -5.711 1.00 0.00 C ATOM 1823 CD PRO A 116 1.402 11.802 -6.158 1.00 0.00 C ATOM 0 HA PRO A 116 2.821 10.886 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 116 2.998 13.612 -3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 116 3.882 12.461 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.259 13.823 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 116 2.614 13.543 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.401 11.955 -6.562 1.00 0.00 H new ATOM 0 HD3 PRO A 116 1.991 11.321 -6.939 1.00 0.00 H new ATOM 1831 N ALA A 117 1.907 12.615 -1.655 1.00 0.00 N ATOM 1832 CA ALA A 117 1.179 13.153 -0.512 1.00 0.00 C ATOM 1833 C ALA A 117 1.729 14.515 -0.102 1.00 0.00 C ATOM 1834 O ALA A 117 2.933 14.768 -0.160 1.00 0.00 O ATOM 1835 CB ALA A 117 1.244 12.182 0.658 1.00 0.00 C ATOM 0 H ALA A 117 2.922 12.643 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 117 0.137 13.284 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.697 12.596 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.798 11.231 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.284 12.023 0.941 1.00 0.00 H new ATOM 1841 N PRO A 118 0.829 15.415 0.320 1.00 0.00 N ATOM 1842 CA PRO A 118 1.202 16.767 0.747 1.00 0.00 C ATOM 1843 C PRO A 118 1.967 16.768 2.066 1.00 0.00 C ATOM 1844 O PRO A 118 2.312 17.825 2.593 1.00 0.00 O ATOM 1845 CB PRO A 118 -0.148 17.471 0.911 1.00 0.00 C ATOM 1846 CG PRO A 118 -1.117 16.374 1.185 1.00 0.00 C ATOM 1847 CD PRO A 118 -0.622 15.182 0.414 1.00 0.00 C ATOM 0 HA PRO A 118 1.868 17.252 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.122 18.190 1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.419 18.023 0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.167 16.155 2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.122 16.653 0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.846 14.248 0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.084 15.121 -0.571 1.00 0.00 H new ATOM 1855 N ALA A 119 2.230 15.577 2.593 1.00 0.00 N ATOM 1856 CA ALA A 119 2.957 15.441 3.850 1.00 0.00 C ATOM 1857 C ALA A 119 4.007 16.536 3.997 1.00 0.00 C ATOM 1858 O ALA A 119 5.005 16.553 3.277 1.00 0.00 O ATOM 1859 CB ALA A 119 3.606 14.068 3.937 1.00 0.00 C ATOM 0 H ALA A 119 1.951 14.692 2.169 1.00 0.00 H new ATOM 0 HA ALA A 119 2.244 15.546 4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.145 13.980 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.836 13.298 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.302 13.941 3.108 1.00 0.00 H new ATOM 1865 N GLY A 120 3.776 17.450 4.934 1.00 0.00 N ATOM 1866 CA GLY A 120 4.711 18.537 5.158 1.00 0.00 C ATOM 1867 C GLY A 120 4.219 19.520 6.202 1.00 0.00 C ATOM 1868 O GLY A 120 4.903 19.778 7.192 1.00 0.00 O ATOM 0 H GLY A 120 2.957 17.457 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.671 18.127 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.882 19.064 4.219 1.00 0.00 H new ATOM 1872 N ALA A 121 3.031 20.071 5.979 1.00 0.00 N ATOM 1873 CA ALA A 121 2.448 21.031 6.909 1.00 0.00 C ATOM 1874 C ALA A 121 0.935 20.864 6.994 1.00 0.00 C ATOM 1875 O ALA A 121 0.204 21.250 6.081 1.00 0.00 O ATOM 1876 CB ALA A 121 2.801 22.451 6.491 1.00 0.00 C ATOM 0 H ALA A 121 2.453 19.870 5.163 1.00 0.00 H new ATOM 0 HA ALA A 121 2.864 20.840 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 121 2.359 23.158 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 121 3.884 22.571 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 121 2.412 22.643 5.491 1.00 0.00 H new ATOM 1882 N THR A 122 0.469 20.285 8.096 1.00 0.00 N ATOM 1883 CA THR A 122 -0.957 20.065 8.300 1.00 0.00 C ATOM 1884 C THR A 122 -1.335 20.226 9.768 1.00 0.00 C ATOM 1885 O THR A 122 -0.487 20.112 10.653 1.00 0.00 O ATOM 1886 CB THR A 122 -1.383 18.663 7.823 1.00 0.00 C ATOM 1887 OG1 THR A 122 -2.781 18.467 8.064 1.00 0.00 O ATOM 1888 CG2 THR A 122 -0.584 17.583 8.537 1.00 0.00 C ATOM 0 H THR A 122 1.059 19.960 8.862 1.00 0.00 H new ATOM 0 HA THR A 122 -1.480 20.817 7.709 1.00 0.00 H new ATOM 0 HB THR A 122 -1.186 18.592 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 122 -3.044 17.574 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.902 16.602 8.184 1.00 0.00 H new ATOM 0 HG22 THR A 122 0.477 17.717 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.754 17.655 9.611 1.00 0.00 H new ATOM 1896 N VAL A 123 -2.613 20.491 10.020 1.00 0.00 N ATOM 1897 CA VAL A 123 -3.103 20.666 11.382 1.00 0.00 C ATOM 1898 C VAL A 123 -4.354 19.830 11.627 1.00 0.00 C ATOM 1899 O VAL A 123 -5.215 19.686 10.759 1.00 0.00 O ATOM 1900 CB VAL A 123 -3.420 22.143 11.679 1.00 0.00 C ATOM 1901 CG1 VAL A 123 -2.148 22.904 12.023 1.00 0.00 C ATOM 1902 CG2 VAL A 123 -4.129 22.784 10.496 1.00 0.00 C ATOM 0 H VAL A 123 -3.328 20.589 9.299 1.00 0.00 H new ATOM 0 HA VAL A 123 -2.309 20.331 12.050 1.00 0.00 H new ATOM 0 HB VAL A 123 -4.086 22.187 12.541 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.392 23.946 12.230 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -1.684 22.458 12.903 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -1.455 22.853 11.183 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -4.345 23.828 10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.489 22.730 9.615 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -5.061 22.255 10.300 1.00 0.00 H new ATOM 1912 N PRO A 124 -4.459 19.265 12.839 1.00 0.00 N ATOM 1913 CA PRO A 124 -5.603 18.434 13.228 1.00 0.00 C ATOM 1914 C PRO A 124 -6.883 19.247 13.388 1.00 0.00 C ATOM 1915 O PRO A 124 -7.927 18.712 13.760 1.00 0.00 O ATOM 1916 CB PRO A 124 -5.172 17.845 14.574 1.00 0.00 C ATOM 1917 CG PRO A 124 -4.185 18.821 15.116 1.00 0.00 C ATOM 1918 CD PRO A 124 -3.471 19.394 13.923 1.00 0.00 C ATOM 0 HA PRO A 124 -5.836 17.683 12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -6.023 17.728 15.245 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -4.726 16.858 14.450 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -4.684 19.605 15.686 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -3.484 18.332 15.793 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -3.187 20.434 14.086 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -2.556 18.845 13.700 1.00 0.00 H new ATOM 1926 N SER A 125 -6.794 20.542 13.104 1.00 0.00 N ATOM 1927 CA SER A 125 -7.945 21.430 13.220 1.00 0.00 C ATOM 1928 C SER A 125 -9.233 20.702 12.845 1.00 0.00 C ATOM 1929 O SER A 125 -9.304 20.034 11.815 1.00 0.00 O ATOM 1930 CB SER A 125 -7.761 22.658 12.326 1.00 0.00 C ATOM 1931 OG SER A 125 -8.096 22.363 10.981 1.00 0.00 O ATOM 0 H SER A 125 -5.938 21.000 12.792 1.00 0.00 H new ATOM 0 HA SER A 125 -8.020 21.753 14.258 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.386 23.474 12.690 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.727 23.000 12.380 1.00 0.00 H new ATOM 0 HG SER A 125 -7.972 23.164 10.430 1.00 0.00 H new ATOM 1937 N GLY A 126 -10.250 20.838 13.691 1.00 0.00 N ATOM 1938 CA GLY A 126 -11.521 20.188 13.432 1.00 0.00 C ATOM 1939 C GLY A 126 -12.666 20.830 14.192 1.00 0.00 C ATOM 1940 O GLY A 126 -12.595 21.990 14.599 1.00 0.00 O ATOM 0 H GLY A 126 -10.216 21.386 14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -11.733 20.224 12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -11.450 19.136 13.708 1.00 0.00 H new ATOM 1944 N PRO A 127 -13.751 20.067 14.390 1.00 0.00 N ATOM 1945 CA PRO A 127 -14.936 20.548 15.106 1.00 0.00 C ATOM 1946 C PRO A 127 -14.677 20.739 16.596 1.00 0.00 C ATOM 1947 O PRO A 127 -13.713 20.201 17.141 1.00 0.00 O ATOM 1948 CB PRO A 127 -15.963 19.436 14.879 1.00 0.00 C ATOM 1949 CG PRO A 127 -15.148 18.212 14.638 1.00 0.00 C ATOM 1950 CD PRO A 127 -13.904 18.676 13.932 1.00 0.00 C ATOM 0 HA PRO A 127 -15.259 21.525 14.748 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -16.613 19.315 15.745 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -16.605 19.658 14.027 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -14.902 17.716 15.577 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -15.696 17.492 14.031 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -13.040 18.068 14.199 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -14.012 18.619 12.849 1.00 0.00 H new ATOM 1958 N SER A 128 -15.543 21.507 17.250 1.00 0.00 N ATOM 1959 CA SER A 128 -15.405 21.770 18.677 1.00 0.00 C ATOM 1960 C SER A 128 -16.717 21.503 19.408 1.00 0.00 C ATOM 1961 O SER A 128 -16.761 20.727 20.363 1.00 0.00 O ATOM 1962 CB SER A 128 -14.964 23.217 18.910 1.00 0.00 C ATOM 1963 OG SER A 128 -15.979 24.127 18.527 1.00 0.00 O ATOM 0 H SER A 128 -16.347 21.958 16.814 1.00 0.00 H new ATOM 0 HA SER A 128 -14.645 21.097 19.073 1.00 0.00 H new ATOM 0 HB2 SER A 128 -14.720 23.361 19.963 1.00 0.00 H new ATOM 0 HB3 SER A 128 -14.056 23.420 18.342 1.00 0.00 H new ATOM 0 HG SER A 128 -15.673 25.044 18.687 1.00 0.00 H new ATOM 1969 N SER A 129 -17.784 22.151 18.953 1.00 0.00 N ATOM 1970 CA SER A 129 -19.097 21.988 19.565 1.00 0.00 C ATOM 1971 C SER A 129 -19.736 20.671 19.135 1.00 0.00 C ATOM 1972 O SER A 129 -20.441 20.609 18.129 1.00 0.00 O ATOM 1973 CB SER A 129 -20.008 23.157 19.187 1.00 0.00 C ATOM 1974 OG SER A 129 -19.621 24.343 19.860 1.00 0.00 O ATOM 0 H SER A 129 -17.765 22.794 18.162 1.00 0.00 H new ATOM 0 HA SER A 129 -18.967 21.973 20.647 1.00 0.00 H new ATOM 0 HB2 SER A 129 -19.971 23.318 18.110 1.00 0.00 H new ATOM 0 HB3 SER A 129 -21.041 22.913 19.437 1.00 0.00 H new ATOM 0 HG SER A 129 -20.217 25.076 19.600 1.00 0.00 H new ATOM 1980 N GLY A 130 -19.484 19.618 19.907 1.00 0.00 N ATOM 1981 CA GLY A 130 -20.041 18.316 19.591 1.00 0.00 C ATOM 1982 C GLY A 130 -18.973 17.253 19.425 1.00 0.00 C ATOM 1983 O GLY A 130 -19.273 16.113 19.070 1.00 0.00 O ATOM 0 H GLY A 130 -18.904 19.644 20.746 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -20.728 18.016 20.383 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -20.624 18.387 18.673 1.00 0.00 H new TER 1987 GLY A 130