USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 TYR OH : rot 30:sc= -0.732 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0.838 USER MOD Set 2.2: A 99 SER OG : rot 76:sc= 1.23 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0676) USER MOD Single : A 13 LYS NZ :NH3+ -138:sc= -0.66 (180deg=-2.28!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.557) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.144 (180deg=-0.603) USER MOD Single : A 32 CYS SG : rot -140:sc= -1.01 USER MOD Single : A 33 SER OG : rot 180:sc= -0.841 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -1.17 F(o=-2,f=-1.2) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -160:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= -0.0596 (180deg=-0.331) USER MOD Single : A 54 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot -64:sc= -1.28 USER MOD Single : A 59 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.6) USER MOD Single : A 61 LYS NZ :NH3+ -132:sc= -0.145 (180deg=-0.756) USER MOD Single : A 63 ASN : amide:sc= -1.38! C(o=-1.4!,f=-3.4!) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 1.35 (180deg=1.29) USER MOD Single : A 69 SER OG : rot 38:sc= 1.29 USER MOD Single : A 74 SER OG : rot -170:sc= -0.802 USER MOD Single : A 75 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.229 K(o=0.23,f=-1.1) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 87 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.26) USER MOD Single : A 94 SER OG : rot 92:sc= 0.106 USER MOD Single : A 97 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 98 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.8!) USER MOD Single : A 100 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.29) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.525 -2.835 2.902 1.00 0.00 N ATOM 67 CA TYR A 8 -12.869 -3.995 3.494 1.00 0.00 C ATOM 68 C TYR A 8 -11.976 -3.580 4.659 1.00 0.00 C ATOM 69 O TYR A 8 -11.873 -4.288 5.660 1.00 0.00 O ATOM 70 CB TYR A 8 -12.041 -4.732 2.439 1.00 0.00 C ATOM 71 CG TYR A 8 -12.855 -5.672 1.579 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.901 -5.199 0.796 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.576 -7.033 1.547 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.648 -6.055 0.010 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.317 -7.895 0.762 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.351 -7.402 -0.004 1.00 0.00 C ATOM 77 OH TYR A 8 -15.092 -8.257 -0.788 1.00 0.00 O ATOM 0 HA TYR A 8 -13.642 -4.664 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.550 -4.000 1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.254 -5.298 2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.134 -4.144 0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.766 -7.423 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.460 -5.672 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.087 -8.950 0.749 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.754 -9.171 -0.685 1.00 0.00 H new ATOM 87 N GLY A 9 -11.332 -2.425 4.521 1.00 0.00 N ATOM 88 CA GLY A 9 -10.456 -1.934 5.569 1.00 0.00 C ATOM 89 C GLY A 9 -9.056 -1.645 5.066 1.00 0.00 C ATOM 90 O GLY A 9 -8.612 -2.226 4.075 1.00 0.00 O ATOM 0 H GLY A 9 -11.401 -1.821 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.880 -1.025 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.406 -2.670 6.371 1.00 0.00 H new ATOM 94 N SER A 10 -8.357 -0.744 5.749 1.00 0.00 N ATOM 95 CA SER A 10 -7.001 -0.375 5.363 1.00 0.00 C ATOM 96 C SER A 10 -5.975 -1.056 6.263 1.00 0.00 C ATOM 97 O SER A 10 -4.796 -1.145 5.922 1.00 0.00 O ATOM 98 CB SER A 10 -6.825 1.144 5.428 1.00 0.00 C ATOM 99 OG SER A 10 -5.461 1.493 5.589 1.00 0.00 O ATOM 0 H SER A 10 -8.708 -0.256 6.573 1.00 0.00 H new ATOM 0 HA SER A 10 -6.838 -0.709 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.215 1.598 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.407 1.545 6.258 1.00 0.00 H new ATOM 0 HG SER A 10 -5.375 2.469 5.626 1.00 0.00 H new ATOM 105 N GLU A 11 -6.433 -1.535 7.416 1.00 0.00 N ATOM 106 CA GLU A 11 -5.556 -2.208 8.366 1.00 0.00 C ATOM 107 C GLU A 11 -5.944 -3.675 8.521 1.00 0.00 C ATOM 108 O GLU A 11 -7.097 -3.997 8.809 1.00 0.00 O ATOM 109 CB GLU A 11 -5.609 -1.509 9.726 1.00 0.00 C ATOM 110 CG GLU A 11 -5.143 -0.063 9.686 1.00 0.00 C ATOM 111 CD GLU A 11 -5.372 0.661 10.999 1.00 0.00 C ATOM 112 OE1 GLU A 11 -5.076 0.071 12.059 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.847 1.815 10.966 1.00 0.00 O ATOM 0 H GLU A 11 -7.406 -1.469 7.714 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.538 -2.159 7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.631 -1.542 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.991 -2.062 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.082 -0.034 9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.669 0.462 8.889 1.00 0.00 H new ATOM 120 N LYS A 12 -4.973 -4.561 8.327 1.00 0.00 N ATOM 121 CA LYS A 12 -5.211 -5.995 8.445 1.00 0.00 C ATOM 122 C LYS A 12 -3.905 -6.744 8.694 1.00 0.00 C ATOM 123 O LYS A 12 -2.850 -6.359 8.189 1.00 0.00 O ATOM 124 CB LYS A 12 -5.883 -6.528 7.178 1.00 0.00 C ATOM 125 CG LYS A 12 -5.948 -8.044 7.115 1.00 0.00 C ATOM 126 CD LYS A 12 -6.296 -8.530 5.718 1.00 0.00 C ATOM 127 CE LYS A 12 -5.846 -9.966 5.499 1.00 0.00 C ATOM 128 NZ LYS A 12 -6.402 -10.885 6.531 1.00 0.00 N ATOM 0 H LYS A 12 -4.014 -4.311 8.087 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.872 -6.159 9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.895 -6.127 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.341 -6.160 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.989 -8.463 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.693 -8.407 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.373 -8.458 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.824 -7.883 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.160 -10.298 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.757 -10.013 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.230 -11.871 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.939 -10.702 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.425 -10.725 6.624 1.00 0.00 H new ATOM 142 N LYS A 13 -3.983 -7.817 9.474 1.00 0.00 N ATOM 143 CA LYS A 13 -2.809 -8.623 9.787 1.00 0.00 C ATOM 144 C LYS A 13 -3.118 -10.110 9.651 1.00 0.00 C ATOM 145 O LYS A 13 -4.245 -10.544 9.887 1.00 0.00 O ATOM 146 CB LYS A 13 -2.322 -8.320 11.206 1.00 0.00 C ATOM 147 CG LYS A 13 -1.885 -6.878 11.404 1.00 0.00 C ATOM 148 CD LYS A 13 -3.056 -5.990 11.790 1.00 0.00 C ATOM 149 CE LYS A 13 -3.388 -6.114 13.269 1.00 0.00 C ATOM 150 NZ LYS A 13 -4.377 -7.197 13.526 1.00 0.00 N ATOM 0 H LYS A 13 -4.848 -8.149 9.901 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.023 -8.367 9.077 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.120 -8.549 11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.487 -8.980 11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.120 -6.831 12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.431 -6.505 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.819 -4.952 11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.929 -6.260 11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.476 -6.315 13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.784 -5.166 13.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.075 -6.871 14.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.863 -7.441 12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.885 -8.036 13.894 1.00 0.00 H new ATOM 164 N GLY A 14 -2.108 -10.887 9.271 1.00 0.00 N ATOM 165 CA GLY A 14 -2.292 -12.318 9.112 1.00 0.00 C ATOM 166 C GLY A 14 -1.067 -13.000 8.538 1.00 0.00 C ATOM 167 O GLY A 14 0.057 -12.740 8.970 1.00 0.00 O ATOM 0 H GLY A 14 -1.166 -10.551 9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.530 -12.760 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.145 -12.501 8.459 1.00 0.00 H new ATOM 171 N TYR A 15 -1.281 -13.876 7.562 1.00 0.00 N ATOM 172 CA TYR A 15 -0.185 -14.601 6.931 1.00 0.00 C ATOM 173 C TYR A 15 -0.378 -14.673 5.419 1.00 0.00 C ATOM 174 O TYR A 15 -1.504 -14.622 4.922 1.00 0.00 O ATOM 175 CB TYR A 15 -0.079 -16.012 7.510 1.00 0.00 C ATOM 176 CG TYR A 15 0.798 -16.098 8.739 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.456 -15.431 9.909 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.970 -16.845 8.731 1.00 0.00 C ATOM 179 CE1 TYR A 15 1.254 -15.505 11.034 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.773 -16.927 9.851 1.00 0.00 C ATOM 181 CZ TYR A 15 2.411 -16.255 11.000 1.00 0.00 C ATOM 182 OH TYR A 15 3.210 -16.332 12.118 1.00 0.00 O ATOM 0 H TYR A 15 -2.204 -14.101 7.191 1.00 0.00 H new ATOM 0 HA TYR A 15 0.739 -14.061 7.136 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.078 -16.369 7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.315 -16.681 6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.450 -14.844 9.939 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.258 -17.371 7.833 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.974 -14.979 11.935 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.679 -17.514 9.828 1.00 0.00 H new ATOM 0 HH TYR A 15 3.985 -16.901 11.928 1.00 0.00 H new ATOM 192 N LEU A 16 0.727 -14.791 4.693 1.00 0.00 N ATOM 193 CA LEU A 16 0.682 -14.871 3.237 1.00 0.00 C ATOM 194 C LEU A 16 1.794 -15.770 2.706 1.00 0.00 C ATOM 195 O LEU A 16 2.870 -15.860 3.299 1.00 0.00 O ATOM 196 CB LEU A 16 0.803 -13.474 2.626 1.00 0.00 C ATOM 197 CG LEU A 16 -0.510 -12.725 2.397 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.242 -11.335 1.842 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.415 -13.511 1.460 1.00 0.00 C ATOM 0 H LEU A 16 1.666 -14.833 5.088 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.277 -15.304 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.435 -12.869 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.320 -13.561 1.670 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.018 -12.618 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.188 -10.817 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.367 -10.772 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.287 -11.418 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.345 -12.963 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.914 -13.649 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.635 -14.485 1.898 1.00 0.00 H new ATOM 211 N LEU A 17 1.529 -16.430 1.584 1.00 0.00 N ATOM 212 CA LEU A 17 2.509 -17.320 0.971 1.00 0.00 C ATOM 213 C LEU A 17 3.501 -16.534 0.120 1.00 0.00 C ATOM 214 O LEU A 17 3.110 -15.714 -0.711 1.00 0.00 O ATOM 215 CB LEU A 17 1.804 -18.372 0.112 1.00 0.00 C ATOM 216 CG LEU A 17 0.856 -19.316 0.852 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.164 -20.252 -0.127 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.611 -20.110 1.908 1.00 0.00 C ATOM 0 H LEU A 17 0.644 -16.366 1.080 1.00 0.00 H new ATOM 0 HA LEU A 17 3.059 -17.820 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.239 -17.858 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.564 -18.972 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 17 0.094 -18.717 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.507 -20.917 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.409 -19.667 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.912 -20.844 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.921 -20.777 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.394 -20.698 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.060 -19.424 2.627 1.00 0.00 H new ATOM 230 N LYS A 18 4.787 -16.791 0.331 1.00 0.00 N ATOM 231 CA LYS A 18 5.837 -16.111 -0.418 1.00 0.00 C ATOM 232 C LYS A 18 6.647 -17.105 -1.245 1.00 0.00 C ATOM 233 O LYS A 18 6.949 -18.208 -0.788 1.00 0.00 O ATOM 234 CB LYS A 18 6.762 -15.351 0.535 1.00 0.00 C ATOM 235 CG LYS A 18 6.305 -13.932 0.824 1.00 0.00 C ATOM 236 CD LYS A 18 7.257 -13.220 1.770 1.00 0.00 C ATOM 237 CE LYS A 18 8.416 -12.582 1.019 1.00 0.00 C ATOM 238 NZ LYS A 18 9.650 -12.521 1.850 1.00 0.00 N ATOM 0 H LYS A 18 5.128 -17.466 1.015 1.00 0.00 H new ATOM 0 HA LYS A 18 5.363 -15.402 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.832 -15.900 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.764 -15.321 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.234 -13.374 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.306 -13.952 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.715 -12.454 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.643 -13.930 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.617 -13.151 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.137 -11.575 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.167 -11.643 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.391 -12.538 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.255 -13.339 1.634 1.00 0.00 H new ATOM 252 N LYS A 19 6.998 -16.707 -2.463 1.00 0.00 N ATOM 253 CA LYS A 19 7.776 -17.561 -3.353 1.00 0.00 C ATOM 254 C LYS A 19 9.265 -17.461 -3.039 1.00 0.00 C ATOM 255 O LYS A 19 9.861 -16.389 -3.145 1.00 0.00 O ATOM 256 CB LYS A 19 7.524 -17.175 -4.812 1.00 0.00 C ATOM 257 CG LYS A 19 7.654 -18.339 -5.780 1.00 0.00 C ATOM 258 CD LYS A 19 7.533 -17.879 -7.223 1.00 0.00 C ATOM 259 CE LYS A 19 6.107 -17.475 -7.562 1.00 0.00 C ATOM 260 NZ LYS A 19 6.055 -16.539 -8.719 1.00 0.00 N ATOM 0 H LYS A 19 6.756 -15.798 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 19 7.459 -18.592 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.524 -16.751 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.228 -16.394 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.616 -18.830 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.882 -19.079 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.202 -17.035 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.853 -18.680 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.522 -18.366 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.647 -17.004 -6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.066 -16.288 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.592 -15.678 -8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.471 -16.997 -9.555 1.00 0.00 H new ATOM 385 N TRP A 27 6.535 -22.298 -2.194 1.00 0.00 N ATOM 386 CA TRP A 27 5.674 -21.323 -1.534 1.00 0.00 C ATOM 387 C TRP A 27 5.693 -21.517 -0.022 1.00 0.00 C ATOM 388 O TRP A 27 5.145 -22.490 0.495 1.00 0.00 O ATOM 389 CB TRP A 27 4.242 -21.441 -2.057 1.00 0.00 C ATOM 390 CG TRP A 27 4.084 -20.960 -3.468 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.094 -21.724 -4.600 1.00 0.00 C ATOM 392 CD2 TRP A 27 3.894 -19.607 -3.897 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.922 -20.928 -5.707 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.796 -19.625 -5.302 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.796 -18.383 -3.231 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.606 -18.466 -6.050 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.607 -17.233 -3.974 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.513 -17.281 -5.371 1.00 0.00 C ATOM 0 HA TRP A 27 6.055 -20.327 -1.759 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.926 -22.482 -1.998 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.578 -20.869 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.219 -22.797 -4.622 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.893 -21.254 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.867 -18.336 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.535 -18.501 -7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.530 -16.281 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.364 -16.365 -5.923 1.00 0.00 H new ATOM 409 N GLN A 28 6.327 -20.584 0.682 1.00 0.00 N ATOM 410 CA GLN A 28 6.417 -20.654 2.136 1.00 0.00 C ATOM 411 C GLN A 28 5.579 -19.558 2.786 1.00 0.00 C ATOM 412 O GLN A 28 5.723 -18.379 2.461 1.00 0.00 O ATOM 413 CB GLN A 28 7.874 -20.533 2.584 1.00 0.00 C ATOM 414 CG GLN A 28 8.808 -21.510 1.889 1.00 0.00 C ATOM 415 CD GLN A 28 9.986 -21.909 2.756 1.00 0.00 C ATOM 416 OE1 GLN A 28 10.980 -21.188 2.843 1.00 0.00 O ATOM 417 NE2 GLN A 28 9.880 -23.064 3.404 1.00 0.00 N ATOM 0 H GLN A 28 6.785 -19.772 0.269 1.00 0.00 H new ATOM 0 HA GLN A 28 6.026 -21.621 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.220 -19.517 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.929 -20.694 3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.250 -22.403 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.176 -21.061 0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.038 -23.630 3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.641 -23.385 4.003 1.00 0.00 H new ATOM 426 N ARG A 29 4.705 -19.954 3.705 1.00 0.00 N ATOM 427 CA ARG A 29 3.844 -19.005 4.400 1.00 0.00 C ATOM 428 C ARG A 29 4.654 -18.131 5.352 1.00 0.00 C ATOM 429 O ARG A 29 5.615 -18.593 5.969 1.00 0.00 O ATOM 430 CB ARG A 29 2.753 -19.747 5.175 1.00 0.00 C ATOM 431 CG ARG A 29 3.160 -20.121 6.591 1.00 0.00 C ATOM 432 CD ARG A 29 4.275 -21.155 6.596 1.00 0.00 C ATOM 433 NE ARG A 29 3.880 -22.390 5.924 1.00 0.00 N ATOM 434 CZ ARG A 29 3.084 -23.302 6.472 1.00 0.00 C ATOM 435 NH1 ARG A 29 2.602 -23.118 7.693 1.00 0.00 N ATOM 436 NH2 ARG A 29 2.770 -24.400 5.797 1.00 0.00 N ATOM 0 H ARG A 29 4.574 -20.926 3.986 1.00 0.00 H new ATOM 0 HA ARG A 29 3.377 -18.362 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.860 -19.124 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.485 -20.653 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.488 -19.229 7.124 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.296 -20.513 7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.155 -20.741 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.559 -21.377 7.625 1.00 0.00 H new ATOM 0 HE ARG A 29 4.234 -22.562 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.842 -22.275 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.991 -23.820 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.140 -24.544 4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.159 -25.100 6.218 1.00 0.00 H new ATOM 450 N ARG A 30 4.261 -16.867 5.466 1.00 0.00 N ATOM 451 CA ARG A 30 4.952 -15.927 6.341 1.00 0.00 C ATOM 452 C ARG A 30 3.976 -14.913 6.929 1.00 0.00 C ATOM 453 O ARG A 30 2.983 -14.551 6.297 1.00 0.00 O ATOM 454 CB ARG A 30 6.058 -15.200 5.573 1.00 0.00 C ATOM 455 CG ARG A 30 7.082 -14.528 6.471 1.00 0.00 C ATOM 456 CD ARG A 30 8.139 -15.513 6.947 1.00 0.00 C ATOM 457 NE ARG A 30 7.683 -16.291 8.096 1.00 0.00 N ATOM 458 CZ ARG A 30 8.266 -17.414 8.501 1.00 0.00 C ATOM 459 NH1 ARG A 30 9.321 -17.888 7.853 1.00 0.00 N ATOM 460 NH2 ARG A 30 7.793 -18.065 9.556 1.00 0.00 N ATOM 0 H ARG A 30 3.467 -16.470 4.963 1.00 0.00 H new ATOM 0 HA ARG A 30 5.398 -16.493 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.568 -15.913 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.606 -14.448 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.561 -13.712 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.579 -14.088 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.399 -16.188 6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.046 -14.971 7.213 1.00 0.00 H new ATOM 0 HE ARG A 30 6.873 -15.954 8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.687 -17.390 7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.767 -18.750 8.166 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.981 -17.703 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.241 -18.927 9.866 1.00 0.00 H new ATOM 474 N LYS A 31 4.263 -14.459 8.144 1.00 0.00 N ATOM 475 CA LYS A 31 3.412 -13.486 8.819 1.00 0.00 C ATOM 476 C LYS A 31 3.474 -12.132 8.121 1.00 0.00 C ATOM 477 O LYS A 31 4.556 -11.631 7.812 1.00 0.00 O ATOM 478 CB LYS A 31 3.835 -13.337 10.283 1.00 0.00 C ATOM 479 CG LYS A 31 2.879 -12.495 11.109 1.00 0.00 C ATOM 480 CD LYS A 31 3.582 -11.851 12.292 1.00 0.00 C ATOM 481 CE LYS A 31 2.587 -11.356 13.330 1.00 0.00 C ATOM 482 NZ LYS A 31 1.777 -12.470 13.898 1.00 0.00 N ATOM 0 H LYS A 31 5.079 -14.750 8.682 1.00 0.00 H new ATOM 0 HA LYS A 31 2.385 -13.849 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.915 -14.327 10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.828 -12.888 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.439 -11.721 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.060 -13.119 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.259 -12.572 12.750 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.192 -11.017 11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.122 -10.850 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.924 -10.620 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.439 -12.206 14.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.962 -12.657 13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.364 -13.326 13.966 1.00 0.00 H new ATOM 496 N CYS A 32 2.308 -11.544 7.876 1.00 0.00 N ATOM 497 CA CYS A 32 2.230 -10.247 7.214 1.00 0.00 C ATOM 498 C CYS A 32 1.481 -9.239 8.080 1.00 0.00 C ATOM 499 O CYS A 32 0.699 -9.616 8.953 1.00 0.00 O ATOM 500 CB CYS A 32 1.539 -10.384 5.857 1.00 0.00 C ATOM 501 SG CYS A 32 2.646 -10.864 4.510 1.00 0.00 S ATOM 0 H CYS A 32 1.404 -11.945 8.126 1.00 0.00 H new ATOM 0 HA CYS A 32 3.246 -9.883 7.061 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.743 -11.124 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.067 -9.435 5.604 1.00 0.00 H new ATOM 0 HG CYS A 32 2.334 -10.202 3.435 1.00 0.00 H new ATOM 507 N SER A 33 1.726 -7.956 7.832 1.00 0.00 N ATOM 508 CA SER A 33 1.078 -6.894 8.593 1.00 0.00 C ATOM 509 C SER A 33 1.077 -5.587 7.807 1.00 0.00 C ATOM 510 O SER A 33 2.101 -5.175 7.262 1.00 0.00 O ATOM 511 CB SER A 33 1.786 -6.694 9.935 1.00 0.00 C ATOM 512 OG SER A 33 3.149 -6.353 9.747 1.00 0.00 O ATOM 0 H SER A 33 2.368 -7.627 7.111 1.00 0.00 H new ATOM 0 HA SER A 33 0.045 -7.190 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.286 -5.907 10.500 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.714 -7.606 10.527 1.00 0.00 H new ATOM 0 HG SER A 33 3.578 -6.229 10.619 1.00 0.00 H new ATOM 518 N VAL A 34 -0.082 -4.938 7.752 1.00 0.00 N ATOM 519 CA VAL A 34 -0.219 -3.676 7.034 1.00 0.00 C ATOM 520 C VAL A 34 -0.761 -2.581 7.946 1.00 0.00 C ATOM 521 O VAL A 34 -1.872 -2.684 8.467 1.00 0.00 O ATOM 522 CB VAL A 34 -1.150 -3.822 5.816 1.00 0.00 C ATOM 523 CG1 VAL A 34 -1.729 -2.472 5.421 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.405 -4.454 4.649 1.00 0.00 C ATOM 0 H VAL A 34 -0.940 -5.265 8.196 1.00 0.00 H new ATOM 0 HA VAL A 34 0.777 -3.398 6.689 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.976 -4.479 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.384 -2.595 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.300 -2.063 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.919 -1.789 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.078 -4.550 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.442 -3.825 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.044 -5.441 4.939 1.00 0.00 H new ATOM 534 N LYS A 35 0.030 -1.530 8.134 1.00 0.00 N ATOM 535 CA LYS A 35 -0.369 -0.413 8.981 1.00 0.00 C ATOM 536 C LYS A 35 0.304 0.879 8.530 1.00 0.00 C ATOM 537 O LYS A 35 1.466 0.877 8.126 1.00 0.00 O ATOM 538 CB LYS A 35 -0.016 -0.702 10.442 1.00 0.00 C ATOM 539 CG LYS A 35 -0.432 0.402 11.398 1.00 0.00 C ATOM 540 CD LYS A 35 -0.657 -0.132 12.803 1.00 0.00 C ATOM 541 CE LYS A 35 -1.328 0.904 13.692 1.00 0.00 C ATOM 542 NZ LYS A 35 -1.273 0.519 15.130 1.00 0.00 N ATOM 0 H LYS A 35 0.952 -1.429 7.710 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.448 -0.290 8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.495 -1.633 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.060 -0.855 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.337 1.174 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.346 0.873 11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.275 -1.029 12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.298 -0.424 13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.841 1.870 13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.368 1.025 13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.741 1.250 15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.759 -0.390 15.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.281 0.428 15.427 1.00 0.00 H new ATOM 556 N ASN A 36 -0.434 1.983 8.605 1.00 0.00 N ATOM 557 CA ASN A 36 0.093 3.283 8.205 1.00 0.00 C ATOM 558 C ASN A 36 0.568 3.254 6.756 1.00 0.00 C ATOM 559 O ASN A 36 1.462 4.007 6.370 1.00 0.00 O ATOM 560 CB ASN A 36 1.245 3.694 9.124 1.00 0.00 C ATOM 561 CG ASN A 36 0.905 3.519 10.592 1.00 0.00 C ATOM 562 OD1 ASN A 36 -0.378 3.627 10.918 1.00 0.00 O flip ATOM 563 ND2 ASN A 36 1.785 3.290 11.421 1.00 0.00 N flip ATOM 0 H ASN A 36 -1.398 2.003 8.939 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.710 4.015 8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.127 3.099 8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.503 4.736 8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.758 3.215 11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.541 3.175 12.405 1.00 0.00 H new ATOM 570 N GLY A 37 -0.037 2.381 5.957 1.00 0.00 N ATOM 571 CA GLY A 37 0.338 2.271 4.559 1.00 0.00 C ATOM 572 C GLY A 37 1.662 1.558 4.368 1.00 0.00 C ATOM 573 O GLY A 37 2.338 1.753 3.357 1.00 0.00 O ATOM 0 H GLY A 37 -0.780 1.748 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.441 1.734 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.400 3.268 4.123 1.00 0.00 H new ATOM 577 N ILE A 38 2.033 0.732 5.340 1.00 0.00 N ATOM 578 CA ILE A 38 3.285 -0.011 5.273 1.00 0.00 C ATOM 579 C ILE A 38 3.054 -1.500 5.508 1.00 0.00 C ATOM 580 O ILE A 38 2.355 -1.891 6.444 1.00 0.00 O ATOM 581 CB ILE A 38 4.303 0.508 6.306 1.00 0.00 C ATOM 582 CG1 ILE A 38 4.641 1.975 6.030 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.563 -0.344 6.282 1.00 0.00 C ATOM 584 CD1 ILE A 38 5.285 2.203 4.681 1.00 0.00 C ATOM 0 H ILE A 38 1.485 0.560 6.183 1.00 0.00 H new ATOM 0 HA ILE A 38 3.687 0.138 4.271 1.00 0.00 H new ATOM 0 HB ILE A 38 3.858 0.438 7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.728 2.568 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.311 2.338 6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.273 0.035 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.309 -1.376 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.012 -0.302 5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.497 3.265 4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.215 1.638 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.608 1.871 3.894 1.00 0.00 H new ATOM 596 N LEU A 39 3.647 -2.326 4.653 1.00 0.00 N ATOM 597 CA LEU A 39 3.507 -3.774 4.768 1.00 0.00 C ATOM 598 C LEU A 39 4.798 -4.406 5.280 1.00 0.00 C ATOM 599 O LEU A 39 5.766 -4.559 4.534 1.00 0.00 O ATOM 600 CB LEU A 39 3.132 -4.379 3.414 1.00 0.00 C ATOM 601 CG LEU A 39 3.427 -5.869 3.239 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.430 -6.706 4.024 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.402 -6.248 1.766 1.00 0.00 C ATOM 0 H LEU A 39 4.229 -2.019 3.873 1.00 0.00 H new ATOM 0 HA LEU A 39 2.712 -3.982 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.066 -4.218 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.661 -3.831 2.635 1.00 0.00 H new ATOM 0 HG LEU A 39 4.425 -6.071 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.656 -7.764 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.497 -6.454 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.421 -6.501 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.614 -7.312 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.418 -6.031 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.156 -5.673 1.229 1.00 0.00 H new ATOM 615 N THR A 40 4.804 -4.775 6.557 1.00 0.00 N ATOM 616 CA THR A 40 5.974 -5.392 7.169 1.00 0.00 C ATOM 617 C THR A 40 5.984 -6.899 6.940 1.00 0.00 C ATOM 618 O THR A 40 4.936 -7.545 6.960 1.00 0.00 O ATOM 619 CB THR A 40 6.030 -5.113 8.682 1.00 0.00 C ATOM 620 OG1 THR A 40 5.861 -3.712 8.929 1.00 0.00 O ATOM 621 CG2 THR A 40 7.352 -5.580 9.271 1.00 0.00 C ATOM 0 H THR A 40 4.011 -4.657 7.188 1.00 0.00 H new ATOM 0 HA THR A 40 6.849 -4.950 6.694 1.00 0.00 H new ATOM 0 HB THR A 40 5.222 -5.666 9.160 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.896 -3.543 9.894 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.367 -5.372 10.341 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.464 -6.652 9.108 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.173 -5.051 8.787 1.00 0.00 H new ATOM 629 N ILE A 41 7.172 -7.452 6.726 1.00 0.00 N ATOM 630 CA ILE A 41 7.317 -8.885 6.496 1.00 0.00 C ATOM 631 C ILE A 41 8.231 -9.519 7.538 1.00 0.00 C ATOM 632 O ILE A 41 9.454 -9.403 7.459 1.00 0.00 O ATOM 633 CB ILE A 41 7.878 -9.175 5.091 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.936 -8.627 4.018 1.00 0.00 C ATOM 635 CG2 ILE A 41 8.090 -10.670 4.905 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.578 -8.510 2.653 1.00 0.00 C ATOM 0 H ILE A 41 8.048 -6.931 6.707 1.00 0.00 H new ATOM 0 HA ILE A 41 6.321 -9.321 6.578 1.00 0.00 H new ATOM 0 HB ILE A 41 8.841 -8.675 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.064 -9.276 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.578 -7.645 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.487 -10.860 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.796 -11.033 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.139 -11.190 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.852 -8.115 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.434 -7.837 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.911 -9.494 2.322 1.00 0.00 H new ATOM 648 N SER A 42 7.630 -10.192 8.514 1.00 0.00 N ATOM 649 CA SER A 42 8.390 -10.844 9.574 1.00 0.00 C ATOM 650 C SER A 42 9.424 -11.802 8.990 1.00 0.00 C ATOM 651 O SER A 42 9.164 -12.487 8.000 1.00 0.00 O ATOM 652 CB SER A 42 7.449 -11.601 10.513 1.00 0.00 C ATOM 653 OG SER A 42 6.733 -10.707 11.346 1.00 0.00 O ATOM 0 H SER A 42 6.619 -10.300 8.593 1.00 0.00 H new ATOM 0 HA SER A 42 8.913 -10.073 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.749 -12.198 9.928 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.023 -12.294 11.127 1.00 0.00 H new ATOM 0 HG SER A 42 6.393 -11.190 12.128 1.00 0.00 H new ATOM 767 N PRO A 50 12.328 -6.056 10.304 1.00 0.00 N ATOM 768 CA PRO A 50 11.701 -6.726 9.161 1.00 0.00 C ATOM 769 C PRO A 50 11.782 -5.894 7.886 1.00 0.00 C ATOM 770 O PRO A 50 12.377 -4.817 7.873 1.00 0.00 O ATOM 771 CB PRO A 50 10.244 -6.889 9.601 1.00 0.00 C ATOM 772 CG PRO A 50 10.025 -5.802 10.596 1.00 0.00 C ATOM 773 CD PRO A 50 11.339 -5.616 11.302 1.00 0.00 C ATOM 0 HA PRO A 50 12.195 -7.667 8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.562 -6.795 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.071 -7.871 10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.712 -4.881 10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.238 -6.071 11.301 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.496 -4.577 11.592 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.394 -6.213 12.212 1.00 0.00 H new ATOM 781 N ALA A 51 11.180 -6.401 6.815 1.00 0.00 N ATOM 782 CA ALA A 51 11.183 -5.703 5.535 1.00 0.00 C ATOM 783 C ALA A 51 9.976 -4.778 5.412 1.00 0.00 C ATOM 784 O ALA A 51 8.831 -5.229 5.430 1.00 0.00 O ATOM 785 CB ALA A 51 11.203 -6.703 4.388 1.00 0.00 C ATOM 0 H ALA A 51 10.684 -7.292 6.808 1.00 0.00 H new ATOM 0 HA ALA A 51 12.084 -5.091 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.205 -6.168 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.099 -7.320 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.319 -7.339 4.444 1.00 0.00 H new ATOM 791 N LYS A 52 10.240 -3.482 5.287 1.00 0.00 N ATOM 792 CA LYS A 52 9.177 -2.493 5.160 1.00 0.00 C ATOM 793 C LYS A 52 8.836 -2.246 3.694 1.00 0.00 C ATOM 794 O LYS A 52 9.705 -2.314 2.823 1.00 0.00 O ATOM 795 CB LYS A 52 9.592 -1.179 5.826 1.00 0.00 C ATOM 796 CG LYS A 52 9.919 -1.323 7.302 1.00 0.00 C ATOM 797 CD LYS A 52 8.688 -1.113 8.169 1.00 0.00 C ATOM 798 CE LYS A 52 9.049 -1.056 9.645 1.00 0.00 C ATOM 799 NZ LYS A 52 9.897 0.125 9.964 1.00 0.00 N ATOM 0 H LYS A 52 11.182 -3.092 5.271 1.00 0.00 H new ATOM 0 HA LYS A 52 8.291 -2.883 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.462 -0.777 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.788 -0.452 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.332 -2.314 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.687 -0.600 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.191 -0.187 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.979 -1.923 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.137 -1.019 10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.576 -1.968 9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.871 0.305 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.877 -0.062 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.536 0.958 9.457 1.00 0.00 H new ATOM 813 N LEU A 53 7.567 -1.957 3.427 1.00 0.00 N ATOM 814 CA LEU A 53 7.111 -1.697 2.066 1.00 0.00 C ATOM 815 C LEU A 53 6.052 -0.600 2.046 1.00 0.00 C ATOM 816 O LEU A 53 4.976 -0.752 2.624 1.00 0.00 O ATOM 817 CB LEU A 53 6.549 -2.976 1.443 1.00 0.00 C ATOM 818 CG LEU A 53 7.579 -4.011 0.990 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.968 -5.404 0.977 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.125 -3.654 -0.385 1.00 0.00 C ATOM 0 H LEU A 53 6.835 -1.897 4.135 1.00 0.00 H new ATOM 0 HA LEU A 53 7.967 -1.360 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.884 -3.447 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.939 -2.700 0.583 1.00 0.00 H new ATOM 0 HG LEU A 53 8.406 -4.006 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.717 -6.127 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.627 -5.661 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.122 -5.424 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.857 -4.402 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.308 -3.629 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.602 -2.675 -0.344 1.00 0.00 H new ATOM 832 N ASN A 54 6.363 0.504 1.374 1.00 0.00 N ATOM 833 CA ASN A 54 5.436 1.626 1.278 1.00 0.00 C ATOM 834 C ASN A 54 4.311 1.319 0.294 1.00 0.00 C ATOM 835 O ASN A 54 4.526 1.276 -0.918 1.00 0.00 O ATOM 836 CB ASN A 54 6.179 2.891 0.842 1.00 0.00 C ATOM 837 CG ASN A 54 6.702 3.689 2.021 1.00 0.00 C ATOM 838 OD1 ASN A 54 7.567 3.224 2.764 1.00 0.00 O ATOM 839 ND2 ASN A 54 6.179 4.897 2.196 1.00 0.00 N ATOM 0 H ASN A 54 7.249 0.646 0.888 1.00 0.00 H new ATOM 0 HA ASN A 54 4.999 1.790 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.012 2.615 0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.510 3.517 0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.492 5.481 2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.464 5.241 1.555 1.00 0.00 H new ATOM 846 N LEU A 55 3.112 1.107 0.824 1.00 0.00 N ATOM 847 CA LEU A 55 1.951 0.805 -0.007 1.00 0.00 C ATOM 848 C LEU A 55 1.568 2.007 -0.865 1.00 0.00 C ATOM 849 O LEU A 55 0.733 1.900 -1.765 1.00 0.00 O ATOM 850 CB LEU A 55 0.767 0.390 0.868 1.00 0.00 C ATOM 851 CG LEU A 55 0.699 -1.089 1.248 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.001 -1.535 1.895 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.477 -1.347 2.179 1.00 0.00 C ATOM 0 H LEU A 55 2.918 1.138 1.825 1.00 0.00 H new ATOM 0 HA LEU A 55 2.213 -0.021 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.794 0.979 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.154 0.653 0.347 1.00 0.00 H new ATOM 0 HG LEU A 55 0.551 -1.671 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.933 -2.590 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.824 -1.388 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.180 -0.947 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.510 -2.405 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.360 -0.754 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.405 -1.067 1.680 1.00 0.00 H new ATOM 865 N LEU A 56 2.184 3.149 -0.583 1.00 0.00 N ATOM 866 CA LEU A 56 1.910 4.371 -1.330 1.00 0.00 C ATOM 867 C LEU A 56 2.607 4.349 -2.686 1.00 0.00 C ATOM 868 O LEU A 56 2.237 5.086 -3.600 1.00 0.00 O ATOM 869 CB LEU A 56 2.364 5.594 -0.531 1.00 0.00 C ATOM 870 CG LEU A 56 2.299 5.463 0.991 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.633 6.789 1.656 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.924 4.977 1.427 1.00 0.00 C ATOM 0 H LEU A 56 2.877 3.254 0.158 1.00 0.00 H new ATOM 0 HA LEU A 56 0.834 4.432 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.391 5.826 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.752 6.445 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 56 3.039 4.726 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.582 6.676 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.639 7.096 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.918 7.547 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.896 4.890 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.166 5.689 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.723 4.003 0.980 1.00 0.00 H new ATOM 884 N THR A 57 3.618 3.495 -2.812 1.00 0.00 N ATOM 885 CA THR A 57 4.367 3.375 -4.056 1.00 0.00 C ATOM 886 C THR A 57 4.241 1.972 -4.641 1.00 0.00 C ATOM 887 O THR A 57 4.502 1.757 -5.825 1.00 0.00 O ATOM 888 CB THR A 57 5.858 3.700 -3.849 1.00 0.00 C ATOM 889 OG1 THR A 57 6.577 2.508 -3.508 1.00 0.00 O ATOM 890 CG2 THR A 57 6.038 4.737 -2.751 1.00 0.00 C ATOM 0 H THR A 57 3.937 2.876 -2.067 1.00 0.00 H new ATOM 0 HA THR A 57 3.939 4.096 -4.752 1.00 0.00 H new ATOM 0 HB THR A 57 6.251 4.107 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.525 2.723 -3.380 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.099 4.951 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.514 5.653 -3.026 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.630 4.352 -1.816 1.00 0.00 H new ATOM 898 N CYS A 58 3.839 1.022 -3.804 1.00 0.00 N ATOM 899 CA CYS A 58 3.678 -0.361 -4.238 1.00 0.00 C ATOM 900 C CYS A 58 2.631 -0.466 -5.343 1.00 0.00 C ATOM 901 O CYS A 58 1.851 0.460 -5.560 1.00 0.00 O ATOM 902 CB CYS A 58 3.281 -1.246 -3.056 1.00 0.00 C ATOM 903 SG CYS A 58 1.497 -1.343 -2.774 1.00 0.00 S ATOM 0 H CYS A 58 3.619 1.184 -2.821 1.00 0.00 H new ATOM 0 HA CYS A 58 4.633 -0.705 -4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.667 -2.252 -3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.761 -0.866 -2.154 1.00 0.00 H new ATOM 0 HG CYS A 58 1.045 -0.169 -2.444 1.00 0.00 H new ATOM 909 N GLN A 59 2.622 -1.599 -6.037 1.00 0.00 N ATOM 910 CA GLN A 59 1.672 -1.824 -7.120 1.00 0.00 C ATOM 911 C GLN A 59 1.059 -3.217 -7.026 1.00 0.00 C ATOM 912 O GLN A 59 1.741 -4.222 -7.228 1.00 0.00 O ATOM 913 CB GLN A 59 2.360 -1.646 -8.475 1.00 0.00 C ATOM 914 CG GLN A 59 1.434 -1.131 -9.564 1.00 0.00 C ATOM 915 CD GLN A 59 2.187 -0.626 -10.779 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.214 0.043 -10.654 1.00 0.00 O ATOM 917 NE2 GLN A 59 1.680 -0.943 -11.965 1.00 0.00 N ATOM 0 H GLN A 59 3.262 -2.375 -5.869 1.00 0.00 H new ATOM 0 HA GLN A 59 0.873 -1.089 -7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.194 -0.954 -8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.780 -2.602 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.756 -1.929 -9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.819 -0.326 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.827 -1.499 -12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.144 -0.630 -12.818 1.00 0.00 H new ATOM 926 N VAL A 60 -0.233 -3.270 -6.719 1.00 0.00 N ATOM 927 CA VAL A 60 -0.939 -4.540 -6.599 1.00 0.00 C ATOM 928 C VAL A 60 -1.396 -5.045 -7.963 1.00 0.00 C ATOM 929 O VAL A 60 -2.365 -4.543 -8.531 1.00 0.00 O ATOM 930 CB VAL A 60 -2.164 -4.416 -5.673 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.921 -5.734 -5.610 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.738 -3.969 -4.283 1.00 0.00 C ATOM 0 H VAL A 60 -0.812 -2.448 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.237 -5.253 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.833 -3.660 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.783 -5.627 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.260 -6.007 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.264 -6.513 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.616 -3.887 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.048 -4.700 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.244 -2.999 -4.348 1.00 0.00 H new ATOM 942 N LYS A 61 -0.691 -6.044 -8.483 1.00 0.00 N ATOM 943 CA LYS A 61 -1.024 -6.621 -9.781 1.00 0.00 C ATOM 944 C LYS A 61 -1.659 -7.999 -9.617 1.00 0.00 C ATOM 945 O LYS A 61 -0.986 -9.029 -9.668 1.00 0.00 O ATOM 946 CB LYS A 61 0.230 -6.726 -10.652 1.00 0.00 C ATOM 947 CG LYS A 61 1.015 -5.430 -10.746 1.00 0.00 C ATOM 948 CD LYS A 61 0.232 -4.356 -11.483 1.00 0.00 C ATOM 949 CE LYS A 61 0.294 -4.555 -12.989 1.00 0.00 C ATOM 950 NZ LYS A 61 1.694 -4.521 -13.496 1.00 0.00 N ATOM 0 H LYS A 61 0.115 -6.471 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.744 -5.964 -10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.878 -7.505 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.060 -7.039 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.261 -5.079 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.959 -5.612 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.807 -4.373 -11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.631 -3.374 -11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.163 -5.510 -13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.290 -3.778 -13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.749 -3.891 -14.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.325 -4.168 -12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.987 -5.480 -13.772 1.00 0.00 H new ATOM 964 N PRO A 62 -2.985 -8.020 -9.417 1.00 0.00 N ATOM 965 CA PRO A 62 -3.739 -9.265 -9.244 1.00 0.00 C ATOM 966 C PRO A 62 -3.822 -10.076 -10.532 1.00 0.00 C ATOM 967 O PRO A 62 -4.400 -9.629 -11.522 1.00 0.00 O ATOM 968 CB PRO A 62 -5.130 -8.781 -8.826 1.00 0.00 C ATOM 969 CG PRO A 62 -5.238 -7.406 -9.389 1.00 0.00 C ATOM 970 CD PRO A 62 -3.850 -6.830 -9.344 1.00 0.00 C ATOM 0 HA PRO A 62 -3.268 -9.930 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.910 -9.432 -9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.237 -8.774 -7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.617 -7.431 -10.411 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.931 -6.799 -8.807 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.670 -6.150 -10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.679 -6.264 -8.428 1.00 0.00 H new ATOM 978 N ASN A 63 -3.241 -11.272 -10.511 1.00 0.00 N ATOM 979 CA ASN A 63 -3.249 -12.146 -11.679 1.00 0.00 C ATOM 980 C ASN A 63 -4.651 -12.246 -12.273 1.00 0.00 C ATOM 981 O ASN A 63 -5.612 -11.720 -11.714 1.00 0.00 O ATOM 982 CB ASN A 63 -2.742 -13.539 -11.302 1.00 0.00 C ATOM 983 CG ASN A 63 -3.857 -14.453 -10.831 1.00 0.00 C ATOM 984 OD1 ASN A 63 -4.017 -15.565 -11.334 1.00 0.00 O ATOM 985 ND2 ASN A 63 -4.633 -13.986 -9.860 1.00 0.00 N ATOM 0 H ASN A 63 -2.759 -11.658 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.585 -11.716 -12.429 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.247 -13.988 -12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.993 -13.449 -10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.399 -14.556 -9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.463 -13.058 -9.473 1.00 0.00 H new ATOM 992 N ALA A 64 -4.758 -12.927 -13.409 1.00 0.00 N ATOM 993 CA ALA A 64 -6.042 -13.099 -14.078 1.00 0.00 C ATOM 994 C ALA A 64 -6.390 -14.576 -14.226 1.00 0.00 C ATOM 995 O ALA A 64 -7.549 -14.967 -14.089 1.00 0.00 O ATOM 996 CB ALA A 64 -6.023 -12.420 -15.440 1.00 0.00 C ATOM 0 H ALA A 64 -3.971 -13.368 -13.885 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.810 -12.631 -13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.988 -12.557 -15.928 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.828 -11.355 -15.313 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.239 -12.861 -16.056 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.379 -15.392 -14.509 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.580 -16.827 -14.677 1.00 0.00 C ATOM 1004 C GLU A 65 -6.612 -17.352 -13.683 1.00 0.00 C ATOM 1005 O GLU A 65 -7.538 -18.072 -14.055 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.257 -17.574 -14.499 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.297 -17.399 -15.664 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.026 -18.209 -15.499 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -1.243 -17.905 -14.574 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -1.814 -19.148 -16.295 1.00 0.00 O ATOM 0 H GLU A 65 -4.414 -15.084 -14.627 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.953 -17.000 -15.686 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.774 -17.227 -13.586 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.464 -18.636 -14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.795 -17.695 -16.588 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.041 -16.344 -15.764 1.00 0.00 H new ATOM 1017 N ASP A 66 -6.443 -16.987 -12.417 1.00 0.00 N ATOM 1018 CA ASP A 66 -7.359 -17.420 -11.368 1.00 0.00 C ATOM 1019 C ASP A 66 -7.048 -16.718 -10.050 1.00 0.00 C ATOM 1020 O ASP A 66 -5.900 -16.363 -9.779 1.00 0.00 O ATOM 1021 CB ASP A 66 -7.277 -18.936 -11.184 1.00 0.00 C ATOM 1022 CG ASP A 66 -8.531 -19.512 -10.556 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -9.640 -19.140 -10.995 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -8.404 -20.334 -9.625 1.00 0.00 O ATOM 0 H ASP A 66 -5.680 -16.393 -12.092 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.371 -17.152 -11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.109 -19.408 -12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.417 -19.177 -10.559 1.00 0.00 H new ATOM 1029 N LYS A 67 -8.077 -16.519 -9.234 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.914 -15.859 -7.944 1.00 0.00 C ATOM 1031 C LYS A 67 -6.784 -16.498 -7.144 1.00 0.00 C ATOM 1032 O LYS A 67 -6.163 -17.464 -7.589 1.00 0.00 O ATOM 1033 CB LYS A 67 -9.219 -15.925 -7.146 1.00 0.00 C ATOM 1034 CG LYS A 67 -10.415 -15.352 -7.886 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.485 -13.841 -7.746 1.00 0.00 C ATOM 1036 CE LYS A 67 -9.638 -13.143 -8.799 1.00 0.00 C ATOM 1037 NZ LYS A 67 -10.193 -11.811 -9.165 1.00 0.00 N ATOM 0 H LYS A 67 -9.033 -16.805 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.659 -14.815 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.425 -16.964 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.089 -15.384 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.353 -15.618 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.331 -15.797 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.521 -13.514 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.144 -13.551 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.621 -13.022 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.578 -13.768 -9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.587 -11.368 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.154 -11.928 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.227 -11.205 -8.321 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.522 -15.955 -5.960 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.468 -16.473 -5.096 1.00 0.00 C ATOM 1053 C LYS A 68 -4.105 -16.357 -5.771 1.00 0.00 C ATOM 1054 O LYS A 68 -3.339 -17.320 -5.814 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.748 -17.934 -4.736 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.773 -18.102 -3.629 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.280 -19.532 -3.550 1.00 0.00 C ATOM 1058 CE LYS A 68 -6.133 -20.530 -3.526 1.00 0.00 C ATOM 1059 NZ LYS A 68 -5.372 -20.470 -2.248 1.00 0.00 N ATOM 0 H LYS A 68 -7.026 -15.155 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.454 -15.876 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.097 -18.458 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.816 -18.409 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.329 -17.819 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.611 -17.427 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.889 -19.654 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.925 -19.738 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.525 -21.537 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.460 -20.329 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.589 -21.153 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.991 -19.512 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.004 -20.703 -1.456 1.00 0.00 H new ATOM 1073 N SER A 69 -3.808 -15.172 -6.295 1.00 0.00 N ATOM 1074 CA SER A 69 -2.538 -14.931 -6.970 1.00 0.00 C ATOM 1075 C SER A 69 -2.385 -13.456 -7.328 1.00 0.00 C ATOM 1076 O SER A 69 -3.147 -12.918 -8.131 1.00 0.00 O ATOM 1077 CB SER A 69 -2.436 -15.788 -8.233 1.00 0.00 C ATOM 1078 OG SER A 69 -1.884 -17.061 -7.943 1.00 0.00 O ATOM 0 H SER A 69 -4.430 -14.364 -6.265 1.00 0.00 H new ATOM 0 HA SER A 69 -1.734 -15.207 -6.288 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.425 -15.909 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.817 -15.280 -8.972 1.00 0.00 H new ATOM 0 HG SER A 69 -2.216 -17.372 -7.075 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.393 -12.808 -6.727 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.138 -11.394 -6.982 1.00 0.00 C ATOM 1086 C PHE A 70 0.341 -11.066 -6.798 1.00 0.00 C ATOM 1087 O PHE A 70 1.029 -11.686 -5.987 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.985 -10.526 -6.049 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.436 -10.433 -4.654 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.757 -11.389 -3.703 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.598 -9.390 -4.293 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -1.253 -11.306 -2.419 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.091 -9.302 -3.010 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.420 -10.261 -2.072 1.00 0.00 C ATOM 0 H PHE A 70 -0.752 -13.239 -6.060 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.413 -11.181 -8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.061 -9.523 -6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.996 -10.931 -6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.409 -12.208 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.338 -8.637 -5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.510 -12.058 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.562 -8.484 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.026 -10.194 -1.069 1.00 0.00 H new ATOM 1104 N ASP A 71 0.822 -10.088 -7.557 1.00 0.00 N ATOM 1105 CA ASP A 71 2.218 -9.676 -7.478 1.00 0.00 C ATOM 1106 C ASP A 71 2.337 -8.260 -6.923 1.00 0.00 C ATOM 1107 O ASP A 71 1.718 -7.327 -7.435 1.00 0.00 O ATOM 1108 CB ASP A 71 2.873 -9.752 -8.859 1.00 0.00 C ATOM 1109 CG ASP A 71 3.432 -11.128 -9.159 1.00 0.00 C ATOM 1110 OD1 ASP A 71 3.638 -11.906 -8.204 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.665 -11.428 -10.349 1.00 0.00 O ATOM 0 H ASP A 71 0.266 -9.566 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 71 2.734 -10.357 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.140 -9.487 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.675 -9.016 -8.919 1.00 0.00 H new ATOM 1116 N LEU A 72 3.135 -8.108 -5.871 1.00 0.00 N ATOM 1117 CA LEU A 72 3.334 -6.805 -5.245 1.00 0.00 C ATOM 1118 C LEU A 72 4.637 -6.168 -5.717 1.00 0.00 C ATOM 1119 O LEU A 72 5.722 -6.562 -5.290 1.00 0.00 O ATOM 1120 CB LEU A 72 3.344 -6.947 -3.722 1.00 0.00 C ATOM 1121 CG LEU A 72 3.107 -5.663 -2.927 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.684 -5.164 -3.130 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.388 -5.890 -1.449 1.00 0.00 C ATOM 0 H LEU A 72 3.654 -8.870 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 72 2.508 -6.157 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.580 -7.672 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.305 -7.364 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 72 3.794 -4.900 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.534 -4.249 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.517 -4.961 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.980 -5.924 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.214 -4.965 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.727 -6.668 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.425 -6.199 -1.319 1.00 0.00 H new ATOM 1135 N ILE A 73 4.520 -5.180 -6.597 1.00 0.00 N ATOM 1136 CA ILE A 73 5.689 -4.485 -7.124 1.00 0.00 C ATOM 1137 C ILE A 73 6.113 -3.346 -6.203 1.00 0.00 C ATOM 1138 O ILE A 73 5.400 -2.354 -6.057 1.00 0.00 O ATOM 1139 CB ILE A 73 5.421 -3.919 -8.531 1.00 0.00 C ATOM 1140 CG1 ILE A 73 4.966 -5.035 -9.475 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.666 -3.235 -9.073 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.032 -4.560 -10.565 1.00 0.00 C ATOM 0 H ILE A 73 3.629 -4.842 -6.960 1.00 0.00 H new ATOM 0 HA ILE A 73 6.492 -5.220 -7.184 1.00 0.00 H new ATOM 0 HB ILE A 73 4.624 -3.178 -8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.843 -5.493 -9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.468 -5.811 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.460 -2.840 -10.068 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.950 -2.418 -8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.482 -3.956 -9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.750 -5.403 -11.196 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.138 -4.129 -10.115 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.534 -3.805 -11.171 1.00 0.00 H new ATOM 1154 N SER A 74 7.280 -3.496 -5.584 1.00 0.00 N ATOM 1155 CA SER A 74 7.799 -2.481 -4.675 1.00 0.00 C ATOM 1156 C SER A 74 8.363 -1.294 -5.451 1.00 0.00 C ATOM 1157 O SER A 74 8.459 -1.329 -6.678 1.00 0.00 O ATOM 1158 CB SER A 74 8.884 -3.078 -3.776 1.00 0.00 C ATOM 1159 OG SER A 74 9.133 -2.246 -2.657 1.00 0.00 O ATOM 0 H SER A 74 7.884 -4.311 -5.696 1.00 0.00 H new ATOM 0 HA SER A 74 6.975 -2.129 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.576 -4.067 -3.437 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.803 -3.209 -4.347 1.00 0.00 H new ATOM 0 HG SER A 74 9.931 -2.563 -2.185 1.00 0.00 H new ATOM 1165 N HIS A 75 8.733 -0.244 -4.726 1.00 0.00 N ATOM 1166 CA HIS A 75 9.287 0.955 -5.345 1.00 0.00 C ATOM 1167 C HIS A 75 10.226 0.590 -6.491 1.00 0.00 C ATOM 1168 O HIS A 75 9.956 0.902 -7.650 1.00 0.00 O ATOM 1169 CB HIS A 75 10.034 1.792 -4.306 1.00 0.00 C ATOM 1170 CG HIS A 75 10.095 3.250 -4.643 1.00 0.00 C ATOM 1171 ND1 HIS A 75 10.025 4.247 -3.692 1.00 0.00 N ATOM 1172 CD2 HIS A 75 10.223 3.878 -5.835 1.00 0.00 C ATOM 1173 CE1 HIS A 75 10.106 5.424 -4.285 1.00 0.00 C ATOM 1174 NE2 HIS A 75 10.226 5.229 -5.586 1.00 0.00 N ATOM 0 H HIS A 75 8.659 -0.199 -3.710 1.00 0.00 H new ATOM 0 HA HIS A 75 8.461 1.541 -5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.549 1.671 -3.337 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.049 1.408 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.307 3.405 -6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.079 6.384 -3.790 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.308 5.962 -6.291 1.00 0.00 H new ATOM 1183 N ASN A 76 11.330 -0.070 -6.158 1.00 0.00 N ATOM 1184 CA ASN A 76 12.309 -0.476 -7.159 1.00 0.00 C ATOM 1185 C ASN A 76 12.579 -1.976 -7.080 1.00 0.00 C ATOM 1186 O ASN A 76 13.731 -2.411 -7.095 1.00 0.00 O ATOM 1187 CB ASN A 76 13.615 0.299 -6.970 1.00 0.00 C ATOM 1188 CG ASN A 76 13.617 1.619 -7.716 1.00 0.00 C ATOM 1189 OD1 ASN A 76 12.654 1.957 -8.405 1.00 0.00 O ATOM 1190 ND2 ASN A 76 14.702 2.373 -7.581 1.00 0.00 N ATOM 0 H ASN A 76 11.569 -0.335 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 76 11.899 -0.250 -8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.773 0.485 -5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.450 -0.311 -7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.761 3.272 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.476 2.053 -7.000 1.00 0.00 H new ATOM 1197 N ARG A 77 11.510 -2.760 -6.997 1.00 0.00 N ATOM 1198 CA ARG A 77 11.631 -4.211 -6.914 1.00 0.00 C ATOM 1199 C ARG A 77 10.274 -4.882 -7.111 1.00 0.00 C ATOM 1200 O ARG A 77 9.236 -4.219 -7.117 1.00 0.00 O ATOM 1201 CB ARG A 77 12.223 -4.619 -5.564 1.00 0.00 C ATOM 1202 CG ARG A 77 13.033 -5.904 -5.618 1.00 0.00 C ATOM 1203 CD ARG A 77 13.853 -6.099 -4.352 1.00 0.00 C ATOM 1204 NE ARG A 77 15.007 -5.204 -4.305 1.00 0.00 N ATOM 1205 CZ ARG A 77 15.859 -5.158 -3.287 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.689 -5.952 -2.239 1.00 0.00 N ATOM 1207 NH2 ARG A 77 16.886 -4.317 -3.317 1.00 0.00 N ATOM 0 H ARG A 77 10.550 -2.415 -6.985 1.00 0.00 H new ATOM 0 HA ARG A 77 12.299 -4.541 -7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.859 -3.813 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.414 -4.739 -4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.362 -6.753 -5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.696 -5.881 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.222 -5.923 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.193 -7.133 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 77 15.167 -4.581 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.902 -6.601 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.345 -5.914 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.021 -3.706 -4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.540 -4.282 -2.535 1.00 0.00 H new ATOM 1221 N THR A 78 10.290 -6.201 -7.271 1.00 0.00 N ATOM 1222 CA THR A 78 9.062 -6.962 -7.469 1.00 0.00 C ATOM 1223 C THR A 78 8.965 -8.116 -6.478 1.00 0.00 C ATOM 1224 O THR A 78 9.934 -8.842 -6.258 1.00 0.00 O ATOM 1225 CB THR A 78 8.973 -7.521 -8.901 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.290 -6.495 -9.849 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.582 -8.067 -9.183 1.00 0.00 C ATOM 0 H THR A 78 11.140 -6.765 -7.267 1.00 0.00 H new ATOM 0 HA THR A 78 8.233 -6.274 -7.303 1.00 0.00 H new ATOM 0 HB THR A 78 9.692 -8.335 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.233 -6.859 -10.757 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.543 -8.456 -10.200 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.356 -8.868 -8.479 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.848 -7.269 -9.072 1.00 0.00 H new ATOM 1235 N TYR A 79 7.788 -8.280 -5.883 1.00 0.00 N ATOM 1236 CA TYR A 79 7.565 -9.345 -4.913 1.00 0.00 C ATOM 1237 C TYR A 79 6.432 -10.262 -5.363 1.00 0.00 C ATOM 1238 O TYR A 79 5.556 -9.857 -6.128 1.00 0.00 O ATOM 1239 CB TYR A 79 7.242 -8.754 -3.539 1.00 0.00 C ATOM 1240 CG TYR A 79 8.454 -8.220 -2.810 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.034 -7.012 -3.178 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.021 -8.924 -1.755 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.142 -6.520 -2.515 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.128 -8.439 -1.085 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.685 -7.237 -1.469 1.00 0.00 C ATOM 1246 OH TYR A 79 11.789 -6.752 -0.806 1.00 0.00 O ATOM 0 H TYR A 79 6.975 -7.689 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 79 8.479 -9.934 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.517 -7.949 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.768 -9.520 -2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.611 -6.448 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.589 -9.867 -1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.580 -5.579 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.555 -8.998 -0.265 1.00 0.00 H new ATOM 0 HH TYR A 79 12.045 -7.377 -0.096 1.00 0.00 H new ATOM 1256 N HIS A 80 6.455 -11.501 -4.882 1.00 0.00 N ATOM 1257 CA HIS A 80 5.430 -12.477 -5.232 1.00 0.00 C ATOM 1258 C HIS A 80 4.738 -13.011 -3.982 1.00 0.00 C ATOM 1259 O HIS A 80 5.391 -13.345 -2.993 1.00 0.00 O ATOM 1260 CB HIS A 80 6.045 -13.633 -6.022 1.00 0.00 C ATOM 1261 CG HIS A 80 6.975 -13.189 -7.108 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.639 -12.231 -8.041 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.238 -13.575 -7.406 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.654 -12.049 -8.867 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.637 -12.853 -8.503 1.00 0.00 N ATOM 0 H HIS A 80 7.173 -11.853 -4.248 1.00 0.00 H new ATOM 0 HA HIS A 80 4.686 -11.978 -5.852 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.586 -14.284 -5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.245 -14.228 -6.461 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.746 -11.740 -8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.823 -14.314 -6.878 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.676 -11.360 -9.698 1.00 0.00 H new ATOM 1274 N PHE A 81 3.412 -13.089 -4.033 1.00 0.00 N ATOM 1275 CA PHE A 81 2.631 -13.581 -2.904 1.00 0.00 C ATOM 1276 C PHE A 81 1.459 -14.433 -3.383 1.00 0.00 C ATOM 1277 O PHE A 81 1.055 -14.353 -4.542 1.00 0.00 O ATOM 1278 CB PHE A 81 2.115 -12.410 -2.065 1.00 0.00 C ATOM 1279 CG PHE A 81 3.209 -11.572 -1.467 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.856 -11.978 -0.311 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.591 -10.380 -2.062 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.863 -11.208 0.242 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.597 -9.607 -1.514 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.234 -10.023 -0.361 1.00 0.00 C ATOM 0 H PHE A 81 2.856 -12.818 -4.844 1.00 0.00 H new ATOM 0 HA PHE A 81 3.281 -14.202 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.483 -11.777 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.486 -12.797 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.571 -12.906 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.097 -10.051 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.359 -11.534 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.885 -8.679 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.022 -9.422 0.068 1.00 0.00 H new ATOM 1294 N GLN A 82 0.921 -15.248 -2.482 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.203 -16.117 -2.813 1.00 0.00 C ATOM 1296 C GLN A 82 -1.119 -16.304 -1.608 1.00 0.00 C ATOM 1297 O GLN A 82 -0.689 -16.775 -0.556 1.00 0.00 O ATOM 1298 CB GLN A 82 0.302 -17.476 -3.300 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.630 -18.150 -4.295 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.148 -19.528 -4.704 1.00 0.00 C ATOM 1301 OE1 GLN A 82 0.067 -20.399 -3.860 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.024 -19.733 -6.004 1.00 0.00 N ATOM 0 H GLN A 82 1.245 -15.325 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.774 -15.642 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.281 -17.346 -3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.439 -18.133 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.625 -18.232 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.723 -17.523 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.166 -18.983 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.346 -20.641 -6.339 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.384 -15.930 -1.770 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.362 -16.058 -0.696 1.00 0.00 C ATOM 1313 C ALA A 83 -3.664 -17.524 -0.401 1.00 0.00 C ATOM 1314 O ALA A 83 -3.743 -18.346 -1.313 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.640 -15.316 -1.055 1.00 0.00 C ATOM 0 H ALA A 83 -2.756 -15.536 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.937 -15.613 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.361 -15.420 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.417 -14.260 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.059 -15.735 -1.970 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.831 -17.842 0.879 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.123 -19.210 1.293 1.00 0.00 C ATOM 1323 C GLU A 84 -5.473 -19.667 0.748 1.00 0.00 C ATOM 1324 O GLU A 84 -5.621 -20.805 0.303 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.115 -19.317 2.819 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.731 -19.542 3.406 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.691 -19.324 4.906 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.910 -18.176 5.345 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -2.441 -20.302 5.641 1.00 0.00 O ATOM 0 H GLU A 84 -3.769 -17.172 1.646 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.347 -19.859 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.536 -18.404 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.766 -20.137 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.406 -20.558 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.023 -18.867 2.926 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.454 -18.772 0.786 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.791 -19.082 0.295 1.00 0.00 C ATOM 1338 C ASP A 85 -8.364 -17.912 -0.499 1.00 0.00 C ATOM 1339 O ASP A 85 -7.884 -16.784 -0.393 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.719 -19.425 1.462 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.035 -20.275 2.514 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -8.072 -21.517 2.390 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -7.462 -19.698 3.462 1.00 0.00 O ATOM 0 H ASP A 85 -6.348 -17.826 1.152 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.717 -19.945 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.078 -18.503 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.594 -19.954 1.084 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.391 -18.190 -1.295 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.027 -17.160 -2.109 1.00 0.00 C ATOM 1350 C GLU A 86 -10.416 -15.956 -1.256 1.00 0.00 C ATOM 1351 O GLU A 86 -10.370 -14.816 -1.716 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.264 -17.724 -2.810 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.597 -17.022 -4.116 1.00 0.00 C ATOM 1354 CD GLU A 86 -13.079 -17.056 -4.435 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.635 -18.167 -4.560 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.683 -15.970 -4.561 1.00 0.00 O ATOM 0 H GLU A 86 -9.801 -19.119 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.310 -16.833 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.108 -18.785 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.119 -17.647 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.264 -15.985 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.043 -17.492 -4.929 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.801 -16.220 -0.011 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.200 -15.159 0.906 1.00 0.00 C ATOM 1365 C GLN A 87 -10.020 -14.248 1.231 1.00 0.00 C ATOM 1366 O GLN A 87 -10.142 -13.024 1.203 1.00 0.00 O ATOM 1367 CB GLN A 87 -11.768 -15.756 2.194 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.156 -16.355 2.027 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.221 -15.302 1.791 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -14.499 -14.928 0.652 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -14.824 -14.819 2.871 1.00 0.00 N ATOM 0 H GLN A 87 -10.845 -17.159 0.385 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.972 -14.564 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.089 -16.528 2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.806 -14.980 2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.148 -17.053 1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.409 -16.929 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.561 -15.158 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.550 -14.109 2.775 1.00 0.00 H new ATOM 1380 N ASP A 88 -8.879 -14.854 1.540 1.00 0.00 N ATOM 1381 CA ASP A 88 -7.676 -14.098 1.870 1.00 0.00 C ATOM 1382 C ASP A 88 -7.254 -13.213 0.701 1.00 0.00 C ATOM 1383 O ASP A 88 -6.801 -12.085 0.896 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.538 -15.048 2.244 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.574 -14.433 3.240 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.017 -13.593 4.052 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.378 -14.790 3.207 1.00 0.00 O ATOM 0 H ASP A 88 -8.762 -15.867 1.569 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.900 -13.459 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.956 -15.963 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.994 -15.331 1.343 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.402 -13.733 -0.512 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.033 -12.991 -1.712 1.00 0.00 C ATOM 1394 C TYR A 89 -7.919 -11.762 -1.887 1.00 0.00 C ATOM 1395 O TYR A 89 -7.437 -10.629 -1.890 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.138 -13.890 -2.945 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.035 -13.138 -4.253 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -8.150 -12.529 -4.815 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -5.824 -13.036 -4.925 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -8.061 -11.841 -6.010 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -5.725 -12.350 -6.120 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.847 -11.754 -6.659 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.754 -11.070 -7.848 1.00 0.00 O ATOM 0 H TYR A 89 -7.775 -14.665 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.001 -12.659 -1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.350 -14.642 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.088 -14.423 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.102 -12.594 -4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.944 -13.501 -4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.938 -11.374 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.775 -12.281 -6.629 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.418 -10.349 -7.864 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.220 -11.995 -2.034 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.176 -10.908 -2.208 1.00 0.00 C ATOM 1415 C VAL A 90 -9.967 -9.818 -1.163 1.00 0.00 C ATOM 1416 O VAL A 90 -10.048 -8.629 -1.466 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.627 -11.417 -2.119 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.607 -10.262 -2.251 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.887 -12.472 -3.184 1.00 0.00 C ATOM 0 H VAL A 90 -9.635 -12.927 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.004 -10.493 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.774 -11.876 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.627 -10.641 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.434 -9.545 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.463 -9.771 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.917 -12.821 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.723 -12.040 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.208 -13.312 -3.038 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.696 -10.234 0.071 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.472 -9.293 1.161 1.00 0.00 C ATOM 1431 C ALA A 91 -8.160 -8.538 0.975 1.00 0.00 C ATOM 1432 O ALA A 91 -8.155 -7.323 0.779 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.479 -10.022 2.497 1.00 0.00 C ATOM 0 H ALA A 91 -9.627 -11.216 0.340 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.283 -8.565 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.311 -9.307 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.443 -10.510 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.688 -10.772 2.506 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.051 -9.266 1.038 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.732 -8.664 0.877 1.00 0.00 C ATOM 1441 C TRP A 92 -5.754 -7.585 -0.201 1.00 0.00 C ATOM 1442 O TRP A 92 -5.501 -6.413 0.077 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.700 -9.735 0.522 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.043 -10.347 1.722 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.003 -11.673 2.048 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.334 -9.657 2.757 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.312 -11.848 3.222 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -2.890 -10.627 3.677 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.029 -8.314 2.994 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.160 -10.294 4.815 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.304 -7.985 4.124 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.876 -8.972 5.022 1.00 0.00 C ATOM 0 H TRP A 92 -7.038 -10.273 1.199 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.454 -8.201 1.823 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.186 -10.520 -0.057 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.935 -9.295 -0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.449 -12.467 1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.141 -12.743 3.681 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.354 -7.547 2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -1.830 -11.052 5.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.063 -6.950 4.318 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.310 -8.683 5.895 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.058 -7.989 -1.430 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.114 -7.055 -2.548 1.00 0.00 C ATOM 1465 C ILE A 93 -6.905 -5.804 -2.180 1.00 0.00 C ATOM 1466 O ILE A 93 -6.453 -4.682 -2.411 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.750 -7.704 -3.791 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.885 -8.863 -4.288 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.940 -6.669 -4.890 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.539 -8.427 -4.824 1.00 0.00 C ATOM 0 H ILE A 93 -6.269 -8.956 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.086 -6.777 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.728 -8.098 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.730 -9.567 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.423 -9.397 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.390 -7.143 -5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.593 -5.873 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.973 -6.248 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.980 -9.301 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.685 -7.747 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.981 -7.919 -4.037 1.00 0.00 H new ATOM 1482 N SER A 94 -8.086 -6.005 -1.605 1.00 0.00 N ATOM 1483 CA SER A 94 -8.941 -4.893 -1.206 1.00 0.00 C ATOM 1484 C SER A 94 -8.204 -3.954 -0.256 1.00 0.00 C ATOM 1485 O SER A 94 -8.306 -2.732 -0.369 1.00 0.00 O ATOM 1486 CB SER A 94 -10.215 -5.415 -0.539 1.00 0.00 C ATOM 1487 OG SER A 94 -11.196 -5.749 -1.505 1.00 0.00 O ATOM 0 H SER A 94 -8.473 -6.927 -1.405 1.00 0.00 H new ATOM 0 HA SER A 94 -9.211 -4.335 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.980 -6.292 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.610 -4.659 0.139 1.00 0.00 H new ATOM 0 HG SER A 94 -11.109 -6.695 -1.746 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.460 -4.534 0.680 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.704 -3.751 1.650 1.00 0.00 C ATOM 1495 C VAL A 95 -5.517 -3.057 0.991 1.00 0.00 C ATOM 1496 O VAL A 95 -5.511 -1.837 0.826 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.193 -4.631 2.806 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.134 -3.834 4.100 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.073 -5.861 2.968 1.00 0.00 C ATOM 0 H VAL A 95 -7.365 -5.544 0.787 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.385 -2.999 2.049 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.183 -4.963 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.771 -4.473 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.458 -2.988 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.131 -3.469 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.697 -6.472 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.095 -5.551 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.058 -6.443 2.047 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.514 -3.843 0.615 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.320 -3.304 -0.028 1.00 0.00 C ATOM 1511 C LEU A 96 -3.667 -2.101 -0.899 1.00 0.00 C ATOM 1512 O LEU A 96 -2.978 -1.080 -0.870 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.642 -4.383 -0.874 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.254 -5.667 -0.140 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.060 -6.808 -1.126 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.991 -5.450 0.682 1.00 0.00 C ATOM 0 H LEU A 96 -4.503 -4.855 0.744 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.632 -2.978 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.309 -4.645 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.743 -3.956 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.064 -5.934 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.784 -7.713 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.988 -6.979 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.268 -6.550 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.729 -6.374 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.173 -5.158 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.165 -4.662 1.415 1.00 0.00 H new ATOM 1528 N THR A 97 -4.740 -2.227 -1.673 1.00 0.00 N ATOM 1529 CA THR A 97 -5.179 -1.150 -2.552 1.00 0.00 C ATOM 1530 C THR A 97 -5.857 -0.037 -1.761 1.00 0.00 C ATOM 1531 O THR A 97 -5.555 1.141 -1.948 1.00 0.00 O ATOM 1532 CB THR A 97 -6.153 -1.666 -3.629 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.700 -2.926 -4.136 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.274 -0.668 -4.771 1.00 0.00 C ATOM 0 H THR A 97 -5.321 -3.064 -1.709 1.00 0.00 H new ATOM 0 HA THR A 97 -4.287 -0.755 -3.038 1.00 0.00 H new ATOM 0 HB THR A 97 -7.134 -1.791 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.140 -3.653 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.967 -1.053 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.647 0.281 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.295 -0.516 -5.227 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.773 -0.418 -0.878 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.494 0.549 -0.058 1.00 0.00 C ATOM 1544 C ASN A 98 -6.523 1.450 0.699 1.00 0.00 C ATOM 1545 O ASN A 98 -6.426 2.646 0.423 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.413 -0.172 0.929 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.738 -0.564 0.305 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.184 0.046 -0.667 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.376 -1.587 0.863 1.00 0.00 N ATOM 0 H ASN A 98 -7.034 -1.390 -0.711 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.099 1.170 -0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.912 -1.065 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.596 0.473 1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.272 -1.896 0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.969 -2.064 1.668 1.00 0.00 H new ATOM 1556 N SER A 99 -5.806 0.868 1.655 1.00 0.00 N ATOM 1557 CA SER A 99 -4.845 1.619 2.454 1.00 0.00 C ATOM 1558 C SER A 99 -4.139 2.673 1.607 1.00 0.00 C ATOM 1559 O SER A 99 -3.974 3.818 2.028 1.00 0.00 O ATOM 1560 CB SER A 99 -3.815 0.672 3.074 1.00 0.00 C ATOM 1561 OG SER A 99 -3.192 1.263 4.201 1.00 0.00 O ATOM 0 H SER A 99 -5.872 -0.121 1.895 1.00 0.00 H new ATOM 0 HA SER A 99 -5.390 2.125 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.302 -0.257 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.060 0.414 2.331 1.00 0.00 H new ATOM 0 HG SER A 99 -3.809 1.247 4.962 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.722 2.277 0.408 1.00 0.00 N ATOM 1568 CA LYS A 100 -3.034 3.185 -0.501 1.00 0.00 C ATOM 1569 C LYS A 100 -3.918 4.378 -0.851 1.00 0.00 C ATOM 1570 O LYS A 100 -3.474 5.525 -0.809 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.625 2.448 -1.779 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.940 3.337 -2.801 1.00 0.00 C ATOM 1573 CD LYS A 100 -2.192 2.853 -4.219 1.00 0.00 C ATOM 1574 CE LYS A 100 -1.047 3.227 -5.148 1.00 0.00 C ATOM 1575 NZ LYS A 100 -1.255 4.560 -5.777 1.00 0.00 N ATOM 0 H LYS A 100 -3.849 1.333 0.044 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.139 3.553 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.956 1.628 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.512 2.004 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.301 4.360 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.868 3.356 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.322 1.771 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.121 3.285 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.112 3.232 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.949 2.470 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.267 4.457 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.162 4.957 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.482 5.198 -5.501 1.00 0.00 H new ATOM 1589 N GLU A 101 -5.172 4.099 -1.194 1.00 0.00 N ATOM 1590 CA GLU A 101 -6.118 5.150 -1.551 1.00 0.00 C ATOM 1591 C GLU A 101 -6.516 5.963 -0.322 1.00 0.00 C ATOM 1592 O GLU A 101 -6.846 7.144 -0.427 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.364 4.547 -2.202 1.00 0.00 C ATOM 1594 CG GLU A 101 -7.055 3.646 -3.386 1.00 0.00 C ATOM 1595 CD GLU A 101 -8.240 2.793 -3.794 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -9.071 3.275 -4.592 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -8.337 1.643 -3.316 1.00 0.00 O ATOM 0 H GLU A 101 -5.556 3.155 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.631 5.815 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.914 3.975 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.019 5.354 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.744 4.258 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.215 2.998 -3.136 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.483 5.320 0.842 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.842 5.983 2.090 1.00 0.00 C ATOM 1606 C GLU A 102 -5.695 6.855 2.592 1.00 0.00 C ATOM 1607 O GLU A 102 -5.902 7.781 3.376 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.214 4.948 3.154 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.358 4.037 2.743 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.637 4.799 2.457 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -10.220 5.356 3.411 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.056 4.838 1.282 1.00 0.00 O ATOM 0 H GLU A 102 -6.212 4.342 0.946 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.704 6.622 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.338 4.339 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.486 5.466 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.069 3.474 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.542 3.311 3.535 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.484 6.552 2.135 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.304 7.308 2.536 1.00 0.00 C ATOM 1621 C ALA A 103 -3.037 8.460 1.573 1.00 0.00 C ATOM 1622 O ALA A 103 -2.402 9.451 1.936 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.092 6.392 2.616 1.00 0.00 C ATOM 0 H ALA A 103 -4.295 5.788 1.486 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.492 7.730 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.218 6.970 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.277 5.607 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.911 5.942 1.640 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.524 8.323 0.345 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.337 9.352 -0.671 1.00 0.00 C ATOM 1631 C LEU A 104 -4.459 10.385 -0.613 1.00 0.00 C ATOM 1632 O LEU A 104 -4.207 11.586 -0.506 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.283 8.719 -2.063 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.956 8.066 -2.452 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.160 7.083 -3.594 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.932 9.125 -2.833 1.00 0.00 C ATOM 0 H LEU A 104 -4.051 7.509 0.029 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.392 9.857 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.069 7.966 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.516 9.488 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.577 7.516 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.205 6.628 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.859 6.306 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.562 7.609 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.006 8.642 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.304 9.702 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.764 9.790 -1.986 1.00 0.00 H new ATOM 1648 N THR A 105 -5.698 9.909 -0.683 1.00 0.00 N ATOM 1649 CA THR A 105 -6.858 10.791 -0.637 1.00 0.00 C ATOM 1650 C THR A 105 -6.659 11.910 0.378 1.00 0.00 C ATOM 1651 O THR A 105 -7.224 12.994 0.239 1.00 0.00 O ATOM 1652 CB THR A 105 -8.140 10.013 -0.283 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.294 10.783 -0.641 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.183 9.687 1.202 1.00 0.00 C ATOM 0 H THR A 105 -5.924 8.918 -0.772 1.00 0.00 H new ATOM 0 HA THR A 105 -6.966 11.223 -1.632 1.00 0.00 H new ATOM 0 HB THR A 105 -8.138 9.078 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.105 10.282 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.097 9.138 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.319 9.077 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.164 10.612 1.778 1.00 0.00 H new