USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 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 26 TYR OH : rot 20:sc= 0.307 USER MOD Set 1.2: A 49 SER OG : rot 78:sc= 1.52 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -170:sc= 0.558 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0.499 USER MOD Set 3.1: A 14 SER OG : rot -123:sc= 1.37 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.06 USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.13) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -17:sc= 1.07 USER MOD Single : A 18 ASN : amide:sc= -0.246! C(o=-0.25!,f=-9.3!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.13) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.713 K(o=0.71,f=-6.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 102:sc= 1.26 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.12) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.897 (180deg=0.895) USER MOD Single : A 64 TYR OH : rot -15:sc= 0.391 USER MOD Single : A 66 GLN : amide:sc= 0.344 K(o=0.34,f=-0.42) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -3.275 -13.502 -6.975 1.00 0.00 N ATOM 12 CA VAL A 2 -2.743 -12.147 -6.928 1.00 0.00 C ATOM 13 C VAL A 2 -2.158 -11.737 -8.272 1.00 0.00 C ATOM 14 O VAL A 2 -1.064 -12.163 -8.640 1.00 0.00 O ATOM 15 CB VAL A 2 -1.656 -12.036 -5.843 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.115 -10.616 -5.772 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.220 -12.465 -4.497 1.00 0.00 C ATOM 0 HA VAL A 2 -3.568 -11.477 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.831 -12.699 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.348 -10.557 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.683 -10.343 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.926 -9.929 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.445 -12.384 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.058 -11.821 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.561 -13.498 -4.558 1.00 0.00 H new ATOM 27 N LYS A 3 -2.895 -10.907 -9.004 1.00 0.00 N ATOM 28 CA LYS A 3 -2.482 -10.493 -10.340 1.00 0.00 C ATOM 29 C LYS A 3 -1.300 -9.533 -10.280 1.00 0.00 C ATOM 30 O LYS A 3 -0.238 -9.807 -10.837 1.00 0.00 O ATOM 31 CB LYS A 3 -3.651 -9.842 -11.083 1.00 0.00 C ATOM 32 CG LYS A 3 -3.335 -9.434 -12.516 1.00 0.00 C ATOM 33 CD LYS A 3 -4.567 -8.880 -13.217 1.00 0.00 C ATOM 34 CE LYS A 3 -4.250 -8.454 -14.642 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.445 -7.905 -15.338 1.00 0.00 N ATOM 0 H LYS A 3 -3.781 -10.508 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.168 -11.384 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.492 -10.536 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.972 -8.960 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.545 -8.683 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.957 -10.295 -13.067 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.352 -9.636 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.953 -8.028 -12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.461 -7.702 -14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.867 -9.309 -15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.165 -7.534 -16.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.150 -8.659 -15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.856 -7.138 -14.769 1.00 0.00 H new ATOM 49 N GLU A 4 -1.493 -8.407 -9.602 1.00 0.00 N ATOM 50 CA GLU A 4 -0.448 -7.398 -9.479 1.00 0.00 C ATOM 51 C GLU A 4 0.059 -7.301 -8.046 1.00 0.00 C ATOM 52 O GLU A 4 -0.703 -7.472 -7.095 1.00 0.00 O ATOM 53 CB GLU A 4 -0.966 -6.035 -9.941 1.00 0.00 C ATOM 54 CG GLU A 4 -1.325 -5.966 -11.419 1.00 0.00 C ATOM 55 CD GLU A 4 -1.812 -4.609 -11.840 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.970 -3.765 -10.991 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.024 -4.413 -13.014 1.00 0.00 O ATOM 0 H GLU A 4 -2.365 -8.170 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 4 0.383 -7.700 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.847 -5.777 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.208 -5.281 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.451 -6.233 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.095 -6.706 -11.635 1.00 0.00 H new ATOM 64 N THR A 5 1.351 -7.025 -7.898 1.00 0.00 N ATOM 65 CA THR A 5 1.964 -6.915 -6.580 1.00 0.00 C ATOM 66 C THR A 5 2.580 -5.537 -6.372 1.00 0.00 C ATOM 67 O THR A 5 3.316 -5.314 -5.411 1.00 0.00 O ATOM 68 CB THR A 5 3.040 -7.998 -6.377 1.00 0.00 C ATOM 69 OG1 THR A 5 4.052 -7.865 -7.383 1.00 0.00 O ATOM 70 CG2 THR A 5 2.424 -9.385 -6.464 1.00 0.00 C ATOM 0 H THR A 5 1.994 -6.873 -8.676 1.00 0.00 H new ATOM 0 HA THR A 5 1.174 -7.061 -5.844 1.00 0.00 H new ATOM 0 HB THR A 5 3.481 -7.869 -5.389 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.737 -8.554 -7.251 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.199 -10.137 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.663 -9.494 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.968 -9.520 -7.445 1.00 0.00 H new ATOM 78 N LYS A 6 2.273 -4.615 -7.278 1.00 0.00 N ATOM 79 CA LYS A 6 2.853 -3.277 -7.236 1.00 0.00 C ATOM 80 C LYS A 6 2.593 -2.606 -5.895 1.00 0.00 C ATOM 81 O LYS A 6 3.520 -2.134 -5.236 1.00 0.00 O ATOM 82 CB LYS A 6 2.295 -2.417 -8.371 1.00 0.00 C ATOM 83 CG LYS A 6 2.844 -0.996 -8.412 1.00 0.00 C ATOM 84 CD LYS A 6 2.294 -0.225 -9.602 1.00 0.00 C ATOM 85 CE LYS A 6 2.805 1.208 -9.619 1.00 0.00 C ATOM 86 NZ LYS A 6 2.312 1.961 -10.803 1.00 0.00 N ATOM 0 H LYS A 6 1.626 -4.769 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 6 3.931 -3.376 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.512 -2.905 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.210 -2.372 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.585 -0.477 -7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.932 -1.026 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.581 -0.726 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.205 -0.224 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.489 1.717 -8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.895 1.204 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.683 2.932 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.635 1.491 -11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.272 1.987 -10.789 1.00 0.00 H new ATOM 100 N LEU A 7 1.326 -2.566 -5.494 1.00 0.00 N ATOM 101 CA LEU A 7 0.931 -1.873 -4.273 1.00 0.00 C ATOM 102 C LEU A 7 1.481 -2.575 -3.039 1.00 0.00 C ATOM 103 O LEU A 7 1.809 -1.932 -2.040 1.00 0.00 O ATOM 104 CB LEU A 7 -0.598 -1.789 -4.183 1.00 0.00 C ATOM 105 CG LEU A 7 -1.283 -0.955 -5.273 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.792 -0.993 -5.068 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.761 0.473 -5.226 1.00 0.00 C ATOM 0 H LEU A 7 0.555 -3.006 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 7 1.347 -0.866 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.002 -2.801 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.864 -1.373 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.058 -1.370 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.279 -0.400 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.141 -2.024 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.037 -0.582 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.249 1.064 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.976 0.907 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.316 0.472 -5.394 1.00 0.00 H new ATOM 119 N TYR A 8 1.580 -3.898 -3.111 1.00 0.00 N ATOM 120 CA TYR A 8 2.113 -4.687 -2.007 1.00 0.00 C ATOM 121 C TYR A 8 3.603 -4.438 -1.818 1.00 0.00 C ATOM 122 O TYR A 8 4.097 -4.393 -0.692 1.00 0.00 O ATOM 123 CB TYR A 8 1.851 -6.178 -2.240 1.00 0.00 C ATOM 124 CG TYR A 8 0.386 -6.554 -2.203 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.186 -7.223 -3.276 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.386 -6.228 -1.098 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.524 -7.565 -3.242 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.724 -6.570 -1.065 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.293 -7.237 -2.131 1.00 0.00 C ATOM 130 OH TYR A 8 -3.625 -7.578 -2.097 1.00 0.00 O ATOM 0 H TYR A 8 1.298 -4.447 -3.923 1.00 0.00 H new ATOM 0 HA TYR A 8 1.601 -4.376 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.265 -6.463 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.383 -6.754 -1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.415 -7.476 -4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.059 -5.707 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.971 -8.086 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.325 -6.315 -0.205 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.932 -7.787 -3.004 1.00 0.00 H new ATOM 140 N ASP A 9 4.314 -4.273 -2.928 1.00 0.00 N ATOM 141 CA ASP A 9 5.746 -3.998 -2.886 1.00 0.00 C ATOM 142 C ASP A 9 6.022 -2.592 -2.371 1.00 0.00 C ATOM 143 O ASP A 9 6.991 -2.366 -1.647 1.00 0.00 O ATOM 144 CB ASP A 9 6.366 -4.170 -4.275 1.00 0.00 C ATOM 145 CG ASP A 9 6.446 -5.626 -4.713 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.321 -6.487 -3.874 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.631 -5.864 -5.883 1.00 0.00 O ATOM 0 H ASP A 9 3.922 -4.325 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 9 6.200 -4.713 -2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.778 -3.609 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.368 -3.740 -4.276 1.00 0.00 H new ATOM 152 N LEU A 10 5.164 -1.650 -2.747 1.00 0.00 N ATOM 153 CA LEU A 10 5.282 -0.275 -2.278 1.00 0.00 C ATOM 154 C LEU A 10 5.090 -0.188 -0.769 1.00 0.00 C ATOM 155 O LEU A 10 5.780 0.570 -0.088 1.00 0.00 O ATOM 156 CB LEU A 10 4.251 0.616 -2.983 1.00 0.00 C ATOM 157 CG LEU A 10 4.516 0.893 -4.467 1.00 0.00 C ATOM 158 CD1 LEU A 10 3.313 1.601 -5.076 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.776 1.736 -4.610 1.00 0.00 C ATOM 0 H LEU A 10 4.378 -1.814 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 10 6.287 0.074 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.270 0.150 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.202 1.570 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 10 4.668 -0.046 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.502 1.798 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.430 0.969 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.144 2.544 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.964 1.933 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.643 2.681 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.623 1.199 -4.184 1.00 0.00 H new ATOM 171 N LEU A 11 4.148 -0.969 -0.253 1.00 0.00 N ATOM 172 CA LEU A 11 3.897 -1.021 1.182 1.00 0.00 C ATOM 173 C LEU A 11 4.939 -1.878 1.893 1.00 0.00 C ATOM 174 O LEU A 11 5.275 -1.631 3.050 1.00 0.00 O ATOM 175 CB LEU A 11 2.494 -1.578 1.457 1.00 0.00 C ATOM 176 CG LEU A 11 1.327 -0.699 0.989 1.00 0.00 C ATOM 177 CD1 LEU A 11 0.010 -1.395 1.302 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.405 0.656 1.676 1.00 0.00 C ATOM 0 H LEU A 11 3.545 -1.576 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 11 3.964 -0.004 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.408 -2.551 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.393 -1.744 2.529 1.00 0.00 H new ATOM 0 HG LEU A 11 1.387 -0.543 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.819 -0.771 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.027 -2.353 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.068 -1.560 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.576 1.281 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.347 0.520 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.348 1.139 1.421 1.00 0.00 H new ATOM 190 N GLY A 12 5.444 -2.886 1.191 1.00 0.00 N ATOM 191 CA GLY A 12 6.419 -3.807 1.765 1.00 0.00 C ATOM 192 C GLY A 12 5.734 -4.888 2.591 1.00 0.00 C ATOM 193 O GLY A 12 6.192 -5.234 3.681 1.00 0.00 O ATOM 0 H GLY A 12 5.194 -3.087 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.001 -4.269 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.119 -3.255 2.392 1.00 0.00 H new ATOM 197 N VAL A 13 4.636 -5.421 2.066 1.00 0.00 N ATOM 198 CA VAL A 13 3.830 -6.390 2.797 1.00 0.00 C ATOM 199 C VAL A 13 3.310 -7.483 1.873 1.00 0.00 C ATOM 200 O VAL A 13 2.956 -7.222 0.724 1.00 0.00 O ATOM 201 CB VAL A 13 2.639 -5.689 3.478 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.740 -5.035 2.439 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.856 -6.690 4.314 1.00 0.00 C ATOM 0 H VAL A 13 4.284 -5.197 1.135 1.00 0.00 H new ATOM 0 HA VAL A 13 4.468 -6.847 3.554 1.00 0.00 H new ATOM 0 HB VAL A 13 3.019 -4.908 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.904 -4.545 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.311 -4.296 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.360 -5.795 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.016 -6.186 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.483 -7.488 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.507 -7.114 5.078 1.00 0.00 H new ATOM 213 N SER A 14 3.266 -8.710 2.382 1.00 0.00 N ATOM 214 CA SER A 14 2.844 -9.855 1.585 1.00 0.00 C ATOM 215 C SER A 14 1.412 -9.687 1.093 1.00 0.00 C ATOM 216 O SER A 14 0.538 -9.239 1.836 1.00 0.00 O ATOM 217 CB SER A 14 2.960 -11.129 2.401 1.00 0.00 C ATOM 218 OG SER A 14 2.448 -12.225 1.695 1.00 0.00 O ATOM 0 H SER A 14 3.518 -8.936 3.344 1.00 0.00 H new ATOM 0 HA SER A 14 3.499 -9.919 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.005 -11.310 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.421 -11.013 3.341 1.00 0.00 H new ATOM 0 HG SER A 14 1.745 -12.656 2.225 1.00 0.00 H new ATOM 224 N PRO A 15 1.179 -10.047 -0.164 1.00 0.00 N ATOM 225 CA PRO A 15 -0.166 -10.031 -0.728 1.00 0.00 C ATOM 226 C PRO A 15 -1.123 -10.876 0.105 1.00 0.00 C ATOM 227 O PRO A 15 -2.328 -10.628 0.123 1.00 0.00 O ATOM 228 CB PRO A 15 0.039 -10.625 -2.126 1.00 0.00 C ATOM 229 CG PRO A 15 1.464 -10.325 -2.443 1.00 0.00 C ATOM 230 CD PRO A 15 2.185 -10.499 -1.132 1.00 0.00 C ATOM 0 HA PRO A 15 -0.613 -9.037 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.154 -11.698 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.635 -10.173 -2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.853 -11.002 -3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.580 -9.312 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.477 -11.535 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.094 -9.900 -1.084 1.00 0.00 H new ATOM 238 N SER A 16 -0.578 -11.872 0.795 1.00 0.00 N ATOM 239 CA SER A 16 -1.390 -12.805 1.565 1.00 0.00 C ATOM 240 C SER A 16 -1.921 -12.152 2.836 1.00 0.00 C ATOM 241 O SER A 16 -2.817 -12.686 3.492 1.00 0.00 O ATOM 242 CB SER A 16 -0.578 -14.035 1.920 1.00 0.00 C ATOM 243 OG SER A 16 0.448 -13.718 2.820 1.00 0.00 O ATOM 0 H SER A 16 0.425 -12.054 0.836 1.00 0.00 H new ATOM 0 HA SER A 16 -2.240 -13.099 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.230 -14.791 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.152 -14.467 1.015 1.00 0.00 H new ATOM 0 HG SER A 16 0.956 -14.528 3.035 1.00 0.00 H new ATOM 249 N ALA A 17 -1.364 -10.996 3.178 1.00 0.00 N ATOM 250 CA ALA A 17 -1.768 -10.276 4.381 1.00 0.00 C ATOM 251 C ALA A 17 -3.189 -9.742 4.250 1.00 0.00 C ATOM 252 O ALA A 17 -3.615 -9.341 3.168 1.00 0.00 O ATOM 253 CB ALA A 17 -0.799 -9.140 4.668 1.00 0.00 C ATOM 0 H ALA A 17 -0.630 -10.536 2.639 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.747 -10.976 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.114 -8.612 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.202 -9.544 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.790 -8.448 3.826 1.00 0.00 H new ATOM 259 N ASN A 18 -3.918 -9.736 5.361 1.00 0.00 N ATOM 260 CA ASN A 18 -5.273 -9.201 5.386 1.00 0.00 C ATOM 261 C ASN A 18 -5.265 -7.690 5.581 1.00 0.00 C ATOM 262 O ASN A 18 -4.211 -7.085 5.772 1.00 0.00 O ATOM 263 CB ASN A 18 -6.095 -9.875 6.470 1.00 0.00 C ATOM 264 CG ASN A 18 -5.600 -9.553 7.852 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.870 -8.576 8.054 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.984 -10.359 8.810 1.00 0.00 N ATOM 0 H ASN A 18 -3.591 -10.097 6.258 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.734 -9.412 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.136 -9.564 6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.071 -10.955 6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.680 -10.192 9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.587 -11.153 8.597 1.00 0.00 H new ATOM 273 N GLU A 19 -6.448 -7.085 5.530 1.00 0.00 N ATOM 274 CA GLU A 19 -6.565 -5.631 5.518 1.00 0.00 C ATOM 275 C GLU A 19 -5.938 -5.019 6.764 1.00 0.00 C ATOM 276 O GLU A 19 -5.411 -3.906 6.723 1.00 0.00 O ATOM 277 CB GLU A 19 -8.034 -5.217 5.419 1.00 0.00 C ATOM 278 CG GLU A 19 -8.701 -5.580 4.099 1.00 0.00 C ATOM 279 CD GLU A 19 -9.197 -6.998 4.066 1.00 0.00 C ATOM 280 OE1 GLU A 19 -8.989 -7.703 5.024 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.786 -7.377 3.080 1.00 0.00 O ATOM 0 H GLU A 19 -7.339 -7.580 5.496 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.028 -5.259 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.587 -5.686 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.106 -4.139 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.537 -4.904 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.991 -5.429 3.285 1.00 0.00 H new ATOM 288 N GLN A 20 -5.998 -5.749 7.872 1.00 0.00 N ATOM 289 CA GLN A 20 -5.444 -5.276 9.134 1.00 0.00 C ATOM 290 C GLN A 20 -3.921 -5.232 9.084 1.00 0.00 C ATOM 291 O GLN A 20 -3.302 -4.265 9.527 1.00 0.00 O ATOM 292 CB GLN A 20 -5.903 -6.168 10.291 1.00 0.00 C ATOM 293 CG GLN A 20 -7.384 -6.060 10.608 1.00 0.00 C ATOM 294 CD GLN A 20 -7.817 -7.034 11.688 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.194 -8.081 11.885 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.890 -6.696 12.394 1.00 0.00 N ATOM 0 H GLN A 20 -6.426 -6.673 7.921 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.812 -4.263 9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.669 -7.205 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.332 -5.910 11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.611 -5.043 10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.961 -6.246 9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.375 -5.820 12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.229 -7.312 13.133 1.00 0.00 H new ATOM 305 N GLU A 21 -3.321 -6.288 8.544 1.00 0.00 N ATOM 306 CA GLU A 21 -1.872 -6.360 8.408 1.00 0.00 C ATOM 307 C GLU A 21 -1.378 -5.456 7.285 1.00 0.00 C ATOM 308 O GLU A 21 -0.266 -4.930 7.343 1.00 0.00 O ATOM 309 CB GLU A 21 -1.431 -7.802 8.145 1.00 0.00 C ATOM 310 CG GLU A 21 -1.642 -8.747 9.319 1.00 0.00 C ATOM 311 CD GLU A 21 -0.849 -8.355 10.535 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.324 -8.102 10.400 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.417 -8.308 11.601 1.00 0.00 O ATOM 0 H GLU A 21 -3.818 -7.107 8.193 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.433 -6.016 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.977 -8.185 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.374 -7.803 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.701 -8.770 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.364 -9.758 9.020 1.00 0.00 H new ATOM 320 N LEU A 22 -2.211 -5.280 6.265 1.00 0.00 N ATOM 321 CA LEU A 22 -1.901 -4.362 5.174 1.00 0.00 C ATOM 322 C LEU A 22 -1.891 -2.918 5.656 1.00 0.00 C ATOM 323 O LEU A 22 -1.092 -2.104 5.192 1.00 0.00 O ATOM 324 CB LEU A 22 -2.922 -4.525 4.042 1.00 0.00 C ATOM 325 CG LEU A 22 -2.872 -5.859 3.286 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.076 -5.963 2.357 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.569 -5.952 2.506 1.00 0.00 C ATOM 0 H LEU A 22 -3.106 -5.761 6.171 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.906 -4.605 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.922 -4.402 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.774 -3.717 3.326 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.910 -6.689 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.040 -6.911 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.993 -5.912 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.056 -5.140 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.533 -6.900 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.512 -5.129 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.727 -5.894 3.196 1.00 0.00 H new ATOM 339 N LYS A 23 -2.786 -2.603 6.586 1.00 0.00 N ATOM 340 CA LYS A 23 -2.765 -1.312 7.263 1.00 0.00 C ATOM 341 C LYS A 23 -1.445 -1.093 7.991 1.00 0.00 C ATOM 342 O LYS A 23 -0.853 -0.017 7.910 1.00 0.00 O ATOM 343 CB LYS A 23 -3.932 -1.204 8.246 1.00 0.00 C ATOM 344 CG LYS A 23 -3.976 0.101 9.030 1.00 0.00 C ATOM 345 CD LYS A 23 -5.207 0.169 9.922 1.00 0.00 C ATOM 346 CE LYS A 23 -5.236 1.460 10.727 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.432 1.537 11.610 1.00 0.00 N ATOM 0 H LYS A 23 -3.536 -3.225 6.888 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.868 -0.536 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.866 -1.315 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.876 -2.035 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.077 0.192 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.979 0.943 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.106 0.099 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.215 -0.685 10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.332 1.531 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.231 2.312 10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.414 2.431 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.295 1.495 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.424 0.738 12.276 1.00 0.00 H new ATOM 361 N LYS A 24 -0.989 -2.118 8.701 1.00 0.00 N ATOM 362 CA LYS A 24 0.301 -2.069 9.378 1.00 0.00 C ATOM 363 C LYS A 24 1.430 -1.809 8.389 1.00 0.00 C ATOM 364 O LYS A 24 2.370 -1.069 8.685 1.00 0.00 O ATOM 365 CB LYS A 24 0.557 -3.371 10.138 1.00 0.00 C ATOM 366 CG LYS A 24 -0.346 -3.581 11.346 1.00 0.00 C ATOM 367 CD LYS A 24 -0.082 -4.925 12.007 1.00 0.00 C ATOM 368 CE LYS A 24 -1.052 -5.182 13.151 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.866 -6.533 13.747 1.00 0.00 N ATOM 0 H LYS A 24 -1.495 -2.995 8.823 1.00 0.00 H new ATOM 0 HA LYS A 24 0.274 -1.244 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.428 -4.209 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.596 -3.387 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.183 -2.780 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.390 -3.524 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.172 -5.720 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.941 -4.953 12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.913 -4.424 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.075 -5.084 12.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.535 -6.661 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.040 -7.259 13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.107 -6.625 14.102 1.00 0.00 H new ATOM 383 N GLY A 25 1.336 -2.424 7.214 1.00 0.00 N ATOM 384 CA GLY A 25 2.296 -2.182 6.144 1.00 0.00 C ATOM 385 C GLY A 25 2.330 -0.708 5.757 1.00 0.00 C ATOM 386 O GLY A 25 3.400 -0.130 5.573 1.00 0.00 O ATOM 0 H GLY A 25 0.604 -3.094 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.288 -2.500 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.034 -2.783 5.274 1.00 0.00 H new ATOM 390 N TYR A 26 1.152 -0.108 5.634 1.00 0.00 N ATOM 391 CA TYR A 26 1.046 1.311 5.317 1.00 0.00 C ATOM 392 C TYR A 26 1.696 2.167 6.397 1.00 0.00 C ATOM 393 O TYR A 26 2.439 3.102 6.098 1.00 0.00 O ATOM 394 CB TYR A 26 -0.421 1.712 5.134 1.00 0.00 C ATOM 395 CG TYR A 26 -0.626 3.193 4.905 1.00 0.00 C ATOM 396 CD1 TYR A 26 -0.065 3.806 3.795 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.374 3.937 5.805 1.00 0.00 C ATOM 398 CE1 TYR A 26 -0.253 5.159 3.585 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.561 5.289 5.595 1.00 0.00 C ATOM 400 CZ TYR A 26 -1.004 5.900 4.490 1.00 0.00 C ATOM 401 OH TYR A 26 -1.190 7.247 4.282 1.00 0.00 O ATOM 0 H TYR A 26 0.256 -0.582 5.749 1.00 0.00 H new ATOM 0 HA TYR A 26 1.578 1.485 4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.835 1.163 4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.983 1.409 6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.519 3.227 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.810 3.459 6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.182 5.639 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.143 5.869 6.296 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.017 7.460 3.341 1.00 0.00 H new ATOM 411 N ARG A 27 1.412 1.842 7.653 1.00 0.00 N ATOM 412 CA ARG A 27 1.977 2.573 8.781 1.00 0.00 C ATOM 413 C ARG A 27 3.499 2.568 8.733 1.00 0.00 C ATOM 414 O ARG A 27 4.142 3.590 8.976 1.00 0.00 O ATOM 415 CB ARG A 27 1.511 1.969 10.097 1.00 0.00 C ATOM 416 CG ARG A 27 0.036 2.167 10.407 1.00 0.00 C ATOM 417 CD ARG A 27 -0.361 1.478 11.661 1.00 0.00 C ATOM 418 NE ARG A 27 0.264 2.077 12.829 1.00 0.00 N ATOM 419 CZ ARG A 27 0.271 1.527 14.059 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.316 0.370 14.265 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.866 2.153 15.059 1.00 0.00 N ATOM 0 H ARG A 27 0.793 1.076 7.916 1.00 0.00 H new ATOM 0 HA ARG A 27 1.628 3.603 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.724 0.900 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.099 2.402 10.907 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.177 3.232 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.563 1.789 9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.445 1.517 11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.084 0.426 11.600 1.00 0.00 H new ATOM 0 HE ARG A 27 0.730 2.976 12.709 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.777 -0.112 13.494 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.310 -0.046 15.196 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.320 3.052 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.871 1.737 15.990 1.00 0.00 H new ATOM 435 N LYS A 28 4.072 1.411 8.418 1.00 0.00 N ATOM 436 CA LYS A 28 5.519 1.280 8.298 1.00 0.00 C ATOM 437 C LYS A 28 6.042 2.041 7.086 1.00 0.00 C ATOM 438 O LYS A 28 7.050 2.743 7.169 1.00 0.00 O ATOM 439 CB LYS A 28 5.918 -0.193 8.206 1.00 0.00 C ATOM 440 CG LYS A 28 5.719 -0.981 9.495 1.00 0.00 C ATOM 441 CD LYS A 28 6.103 -2.442 9.315 1.00 0.00 C ATOM 442 CE LYS A 28 5.886 -3.234 10.595 1.00 0.00 C ATOM 443 NZ LYS A 28 6.231 -4.671 10.427 1.00 0.00 N ATOM 0 H LYS A 28 3.555 0.550 8.241 1.00 0.00 H new ATOM 0 HA LYS A 28 5.968 1.713 9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.338 -0.665 7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.966 -0.255 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.321 -0.540 10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.677 -0.913 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.512 -2.879 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.149 -2.511 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.493 -2.806 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.845 -3.145 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.069 -5.174 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.634 -5.087 9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.232 -4.759 10.157 1.00 0.00 H new ATOM 457 N ALA A 29 5.352 1.898 5.961 1.00 0.00 N ATOM 458 CA ALA A 29 5.748 2.568 4.728 1.00 0.00 C ATOM 459 C ALA A 29 5.639 4.081 4.863 1.00 0.00 C ATOM 460 O ALA A 29 6.469 4.823 4.341 1.00 0.00 O ATOM 461 CB ALA A 29 4.900 2.079 3.563 1.00 0.00 C ATOM 0 H ALA A 29 4.514 1.323 5.877 1.00 0.00 H new ATOM 0 HA ALA A 29 6.792 2.322 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.208 2.589 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.034 1.004 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.850 2.294 3.762 1.00 0.00 H new ATOM 467 N ALA A 30 4.608 4.534 5.570 1.00 0.00 N ATOM 468 CA ALA A 30 4.401 5.959 5.795 1.00 0.00 C ATOM 469 C ALA A 30 5.569 6.573 6.556 1.00 0.00 C ATOM 470 O ALA A 30 6.009 7.681 6.249 1.00 0.00 O ATOM 471 CB ALA A 30 3.098 6.194 6.546 1.00 0.00 C ATOM 0 H ALA A 30 3.903 3.933 5.997 1.00 0.00 H new ATOM 0 HA ALA A 30 4.340 6.447 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.958 7.263 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.265 5.803 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.136 5.685 7.509 1.00 0.00 H new ATOM 477 N LEU A 31 6.067 5.846 7.552 1.00 0.00 N ATOM 478 CA LEU A 31 7.259 6.260 8.280 1.00 0.00 C ATOM 479 C LEU A 31 8.497 6.199 7.394 1.00 0.00 C ATOM 480 O LEU A 31 9.345 7.089 7.433 1.00 0.00 O ATOM 481 CB LEU A 31 7.461 5.373 9.513 1.00 0.00 C ATOM 482 CG LEU A 31 6.425 5.540 10.632 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.645 4.472 11.694 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.541 6.935 11.227 1.00 0.00 C ATOM 0 H LEU A 31 5.662 4.966 7.873 1.00 0.00 H new ATOM 0 HA LEU A 31 7.115 7.293 8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.457 4.331 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.449 5.576 9.925 1.00 0.00 H new ATOM 0 HG LEU A 31 5.419 5.420 10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.908 4.592 12.488 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.537 3.485 11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.647 4.574 12.110 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.805 7.054 12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.542 7.074 11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.359 7.678 10.450 1.00 0.00 H new ATOM 496 N LYS A 32 8.592 5.141 6.593 1.00 0.00 N ATOM 497 CA LYS A 32 9.727 4.960 5.697 1.00 0.00 C ATOM 498 C LYS A 32 9.866 6.138 4.740 1.00 0.00 C ATOM 499 O LYS A 32 10.964 6.655 4.533 1.00 0.00 O ATOM 500 CB LYS A 32 9.585 3.657 4.909 1.00 0.00 C ATOM 501 CG LYS A 32 10.752 3.353 3.980 1.00 0.00 C ATOM 502 CD LYS A 32 10.511 2.076 3.189 1.00 0.00 C ATOM 503 CE LYS A 32 11.673 1.773 2.255 1.00 0.00 C ATOM 504 NZ LYS A 32 11.342 0.696 1.283 1.00 0.00 N ATOM 0 H LYS A 32 7.896 4.397 6.547 1.00 0.00 H new ATOM 0 HA LYS A 32 10.629 4.908 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.472 2.832 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.669 3.701 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.899 4.186 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.668 3.255 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.368 1.242 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.593 2.173 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.948 2.678 1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.542 1.477 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.205 0.403 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.943 -0.119 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.646 1.050 0.596 1.00 0.00 H new ATOM 518 N TYR A 33 8.748 6.558 4.160 1.00 0.00 N ATOM 519 CA TYR A 33 8.753 7.623 3.166 1.00 0.00 C ATOM 520 C TYR A 33 8.237 8.930 3.756 1.00 0.00 C ATOM 521 O TYR A 33 7.784 9.814 3.029 1.00 0.00 O ATOM 522 CB TYR A 33 7.916 7.225 1.947 1.00 0.00 C ATOM 523 CG TYR A 33 8.339 5.915 1.320 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.469 4.834 1.316 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.597 5.795 0.748 1.00 0.00 C ATOM 526 CE1 TYR A 33 7.854 3.639 0.742 1.00 0.00 C ATOM 527 CE2 TYR A 33 9.982 4.600 0.173 1.00 0.00 C ATOM 528 CZ TYR A 33 9.116 3.524 0.169 1.00 0.00 C ATOM 529 OH TYR A 33 9.501 2.333 -0.403 1.00 0.00 O ATOM 0 H TYR A 33 7.824 6.176 4.362 1.00 0.00 H new ATOM 0 HA TYR A 33 9.784 7.778 2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.869 7.154 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.983 8.014 1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.490 4.928 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.275 6.636 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.178 2.797 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.961 4.507 -0.274 1.00 0.00 H new ATOM 0 HH TYR A 33 10.410 2.420 -0.759 1.00 0.00 H new ATOM 539 N HIS A 34 8.309 9.045 5.077 1.00 0.00 N ATOM 540 CA HIS A 34 7.790 10.217 5.773 1.00 0.00 C ATOM 541 C HIS A 34 8.578 11.468 5.409 1.00 0.00 C ATOM 542 O HIS A 34 9.810 11.457 5.397 1.00 0.00 O ATOM 543 CB HIS A 34 7.829 10.006 7.290 1.00 0.00 C ATOM 544 CG HIS A 34 6.969 10.966 8.052 1.00 0.00 C ATOM 545 ND1 HIS A 34 7.319 12.284 8.247 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.776 10.797 8.668 1.00 0.00 C ATOM 547 CE1 HIS A 34 6.376 12.888 8.951 1.00 0.00 C ATOM 548 NE2 HIS A 34 5.429 12.007 9.218 1.00 0.00 N ATOM 0 H HIS A 34 8.722 8.341 5.688 1.00 0.00 H new ATOM 0 HA HIS A 34 6.756 10.355 5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.510 8.988 7.515 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.859 10.101 7.635 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.204 9.882 8.718 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.380 13.924 9.255 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.577 12.195 9.747 1.00 0.00 H new ATOM 556 N PRO A 35 7.863 12.546 5.111 1.00 0.00 N ATOM 557 CA PRO A 35 8.488 13.774 4.633 1.00 0.00 C ATOM 558 C PRO A 35 9.576 14.245 5.591 1.00 0.00 C ATOM 559 O PRO A 35 10.582 14.817 5.167 1.00 0.00 O ATOM 560 CB PRO A 35 7.317 14.760 4.582 1.00 0.00 C ATOM 561 CG PRO A 35 6.137 13.909 4.258 1.00 0.00 C ATOM 562 CD PRO A 35 6.368 12.638 5.031 1.00 0.00 C ATOM 0 HA PRO A 35 8.987 13.659 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.188 15.274 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.475 15.527 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.206 14.391 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.068 13.716 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.915 12.682 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.939 11.775 4.522 1.00 0.00 H new ATOM 570 N ASP A 36 9.370 14.002 6.880 1.00 0.00 N ATOM 571 CA ASP A 36 10.232 14.566 7.913 1.00 0.00 C ATOM 572 C ASP A 36 11.358 13.606 8.275 1.00 0.00 C ATOM 573 O ASP A 36 12.051 13.796 9.272 1.00 0.00 O ATOM 574 CB ASP A 36 9.417 14.901 9.166 1.00 0.00 C ATOM 575 CG ASP A 36 8.425 16.034 8.941 1.00 0.00 C ATOM 576 OD1 ASP A 36 8.650 16.828 8.057 1.00 0.00 O ATOM 577 OD2 ASP A 36 7.454 16.097 9.656 1.00 0.00 O ATOM 0 H ASP A 36 8.613 13.418 7.235 1.00 0.00 H new ATOM 0 HA ASP A 36 10.672 15.480 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.877 14.011 9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.097 15.174 9.973 1.00 0.00 H new ATOM 582 N LYS A 37 11.533 12.573 7.456 1.00 0.00 N ATOM 583 CA LYS A 37 12.624 11.623 7.646 1.00 0.00 C ATOM 584 C LYS A 37 13.660 11.745 6.537 1.00 0.00 C ATOM 585 O LYS A 37 13.356 12.211 5.439 1.00 0.00 O ATOM 586 CB LYS A 37 12.083 10.193 7.706 1.00 0.00 C ATOM 587 CG LYS A 37 11.131 9.929 8.865 1.00 0.00 C ATOM 588 CD LYS A 37 11.850 10.025 10.203 1.00 0.00 C ATOM 589 CE LYS A 37 10.926 9.662 11.356 1.00 0.00 C ATOM 590 NZ LYS A 37 11.598 9.812 12.675 1.00 0.00 N ATOM 0 H LYS A 37 10.934 12.373 6.655 1.00 0.00 H new ATOM 0 HA LYS A 37 13.110 11.858 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.568 9.973 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.923 9.502 7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.312 10.648 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.689 8.938 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.713 9.359 10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.229 11.038 10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.041 10.297 11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.585 8.634 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.935 9.555 13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.428 9.187 12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.901 10.799 12.800 1.00 0.00 H new ATOM 604 N PRO A 38 14.885 11.325 6.831 1.00 0.00 N ATOM 605 CA PRO A 38 15.971 11.392 5.861 1.00 0.00 C ATOM 606 C PRO A 38 15.605 10.666 4.573 1.00 0.00 C ATOM 607 O PRO A 38 16.041 11.050 3.487 1.00 0.00 O ATOM 608 CB PRO A 38 17.129 10.701 6.590 1.00 0.00 C ATOM 609 CG PRO A 38 16.845 10.940 8.034 1.00 0.00 C ATOM 610 CD PRO A 38 15.348 10.827 8.145 1.00 0.00 C ATOM 0 HA PRO A 38 16.211 12.409 5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.164 9.636 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.091 11.122 6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.347 10.206 8.664 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.194 11.923 8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.032 9.799 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.957 11.427 8.966 1.00 0.00 H new ATOM 618 N THR A 39 14.805 9.613 4.700 1.00 0.00 N ATOM 619 CA THR A 39 14.428 8.793 3.555 1.00 0.00 C ATOM 620 C THR A 39 13.045 9.169 3.039 1.00 0.00 C ATOM 621 O THR A 39 12.383 8.374 2.373 1.00 0.00 O ATOM 622 CB THR A 39 14.460 7.296 3.911 1.00 0.00 C ATOM 623 OG1 THR A 39 13.570 7.043 5.006 1.00 0.00 O ATOM 624 CG2 THR A 39 15.867 6.868 4.297 1.00 0.00 C ATOM 0 H THR A 39 14.404 9.307 5.587 1.00 0.00 H new ATOM 0 HA THR A 39 15.158 8.983 2.768 1.00 0.00 H new ATOM 0 HB THR A 39 14.145 6.725 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.739 6.648 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.869 5.807 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.544 7.047 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.198 7.443 5.161 1.00 0.00 H new ATOM 632 N GLY A 40 12.612 10.386 3.352 1.00 0.00 N ATOM 633 CA GLY A 40 11.290 10.853 2.958 1.00 0.00 C ATOM 634 C GLY A 40 11.140 10.866 1.442 1.00 0.00 C ATOM 635 O GLY A 40 12.086 11.174 0.717 1.00 0.00 O ATOM 0 H GLY A 40 13.159 11.067 3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.528 10.208 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.123 11.856 3.351 1.00 0.00 H new ATOM 639 N ASP A 41 9.945 10.528 0.967 1.00 0.00 N ATOM 640 CA ASP A 41 9.671 10.489 -0.464 1.00 0.00 C ATOM 641 C ASP A 41 8.206 10.785 -0.753 1.00 0.00 C ATOM 642 O ASP A 41 7.356 9.898 -0.675 1.00 0.00 O ATOM 643 CB ASP A 41 10.047 9.124 -1.046 1.00 0.00 C ATOM 644 CG ASP A 41 9.848 9.047 -2.553 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.038 9.784 -3.064 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.508 8.252 -3.179 1.00 0.00 O ATOM 0 H ASP A 41 9.150 10.277 1.554 1.00 0.00 H new ATOM 0 HA ASP A 41 10.279 11.260 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.089 8.909 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.446 8.352 -0.565 1.00 0.00 H new ATOM 651 N THR A 42 7.915 12.038 -1.088 1.00 0.00 N ATOM 652 CA THR A 42 6.537 12.489 -1.244 1.00 0.00 C ATOM 653 C THR A 42 5.811 11.681 -2.312 1.00 0.00 C ATOM 654 O THR A 42 4.649 11.313 -2.143 1.00 0.00 O ATOM 655 CB THR A 42 6.481 13.986 -1.600 1.00 0.00 C ATOM 656 OG1 THR A 42 7.062 14.754 -0.539 1.00 0.00 O ATOM 657 CG2 THR A 42 5.042 14.429 -1.816 1.00 0.00 C ATOM 0 H THR A 42 8.616 12.760 -1.257 1.00 0.00 H new ATOM 0 HA THR A 42 6.037 12.335 -0.288 1.00 0.00 H new ATOM 0 HB THR A 42 7.041 14.147 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.027 15.706 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.022 15.490 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.603 13.855 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.469 14.261 -0.904 1.00 0.00 H new ATOM 665 N GLU A 43 6.503 11.408 -3.413 1.00 0.00 N ATOM 666 CA GLU A 43 5.919 10.659 -4.519 1.00 0.00 C ATOM 667 C GLU A 43 5.416 9.297 -4.058 1.00 0.00 C ATOM 668 O GLU A 43 4.250 8.955 -4.256 1.00 0.00 O ATOM 669 CB GLU A 43 6.943 10.483 -5.643 1.00 0.00 C ATOM 670 CG GLU A 43 6.415 9.743 -6.864 1.00 0.00 C ATOM 671 CD GLU A 43 7.422 9.655 -7.977 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.492 10.193 -7.827 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.120 9.050 -8.977 1.00 0.00 O ATOM 0 H GLU A 43 7.470 11.695 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 43 5.069 11.228 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.296 11.466 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.805 9.944 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.116 8.737 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.521 10.248 -7.229 1.00 0.00 H new ATOM 680 N LYS A 44 6.303 8.522 -3.441 1.00 0.00 N ATOM 681 CA LYS A 44 5.950 7.195 -2.951 1.00 0.00 C ATOM 682 C LYS A 44 4.995 7.281 -1.770 1.00 0.00 C ATOM 683 O LYS A 44 4.149 6.406 -1.578 1.00 0.00 O ATOM 684 CB LYS A 44 7.208 6.419 -2.557 1.00 0.00 C ATOM 685 CG LYS A 44 8.053 5.950 -3.733 1.00 0.00 C ATOM 686 CD LYS A 44 9.241 5.121 -3.265 1.00 0.00 C ATOM 687 CE LYS A 44 10.064 4.619 -4.442 1.00 0.00 C ATOM 688 NZ LYS A 44 11.270 3.868 -3.997 1.00 0.00 N ATOM 0 H LYS A 44 7.272 8.791 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 44 5.445 6.664 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.822 7.049 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.914 5.551 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.439 5.358 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.408 6.813 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.870 5.722 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.887 4.273 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.446 3.975 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.370 5.465 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.803 3.543 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.873 4.489 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.978 3.046 -3.431 1.00 0.00 H new ATOM 702 N PHE A 45 5.134 8.338 -0.977 1.00 0.00 N ATOM 703 CA PHE A 45 4.242 8.570 0.154 1.00 0.00 C ATOM 704 C PHE A 45 2.791 8.671 -0.300 1.00 0.00 C ATOM 705 O PHE A 45 1.882 8.211 0.390 1.00 0.00 O ATOM 706 CB PHE A 45 4.639 9.850 0.892 1.00 0.00 C ATOM 707 CG PHE A 45 3.933 10.035 2.205 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.835 10.876 2.305 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.367 9.371 3.343 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.185 11.047 3.512 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.718 9.540 4.550 1.00 0.00 C ATOM 712 CZ PHE A 45 2.626 10.380 4.635 1.00 0.00 C ATOM 0 H PHE A 45 5.856 9.048 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 45 4.335 7.720 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.715 9.839 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.429 10.707 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.484 11.403 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.222 8.714 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.330 11.704 3.576 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.065 9.015 5.428 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.118 10.514 5.579 1.00 0.00 H new ATOM 722 N LYS A 46 2.581 9.273 -1.466 1.00 0.00 N ATOM 723 CA LYS A 46 1.255 9.334 -2.068 1.00 0.00 C ATOM 724 C LYS A 46 0.860 7.991 -2.668 1.00 0.00 C ATOM 725 O LYS A 46 -0.304 7.595 -2.615 1.00 0.00 O ATOM 726 CB LYS A 46 1.203 10.424 -3.140 1.00 0.00 C ATOM 727 CG LYS A 46 1.274 11.845 -2.597 1.00 0.00 C ATOM 728 CD LYS A 46 1.234 12.870 -3.720 1.00 0.00 C ATOM 729 CE LYS A 46 1.280 14.291 -3.178 1.00 0.00 C ATOM 730 NZ LYS A 46 1.266 15.303 -4.268 1.00 0.00 N ATOM 0 H LYS A 46 3.313 9.726 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 46 0.542 9.578 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.029 10.272 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.281 10.312 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.442 12.018 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.190 11.970 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.077 12.708 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.326 12.733 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.427 14.456 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.179 14.420 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.298 16.257 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.093 15.163 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.396 15.197 -4.829 1.00 0.00 H new ATOM 744 N GLU A 47 1.836 7.293 -3.237 1.00 0.00 N ATOM 745 CA GLU A 47 1.587 6.004 -3.875 1.00 0.00 C ATOM 746 C GLU A 47 1.126 4.968 -2.859 1.00 0.00 C ATOM 747 O GLU A 47 0.202 4.198 -3.118 1.00 0.00 O ATOM 748 CB GLU A 47 2.846 5.510 -4.588 1.00 0.00 C ATOM 749 CG GLU A 47 3.201 6.284 -5.850 1.00 0.00 C ATOM 750 CD GLU A 47 4.483 5.818 -6.481 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.215 5.103 -5.839 1.00 0.00 O ATOM 752 OE2 GLU A 47 4.731 6.176 -7.609 1.00 0.00 O ATOM 0 H GLU A 47 2.809 7.598 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 47 0.793 6.142 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.686 5.564 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.713 4.459 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.390 6.185 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.285 7.344 -5.609 1.00 0.00 H new ATOM 759 N ILE A 48 1.776 4.954 -1.700 1.00 0.00 N ATOM 760 CA ILE A 48 1.427 4.017 -0.637 1.00 0.00 C ATOM 761 C ILE A 48 0.102 4.393 0.014 1.00 0.00 C ATOM 762 O ILE A 48 -0.560 3.554 0.625 1.00 0.00 O ATOM 763 CB ILE A 48 2.531 3.967 0.435 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.683 5.333 1.110 1.00 0.00 C ATOM 765 CG2 ILE A 48 3.850 3.525 -0.181 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.550 5.309 2.348 1.00 0.00 C ATOM 0 H ILE A 48 2.548 5.581 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 48 1.328 3.031 -1.092 1.00 0.00 H new ATOM 0 HB ILE A 48 2.245 3.239 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.108 6.036 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.695 5.708 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.620 3.495 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.734 2.533 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.143 4.230 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.610 6.312 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.116 4.632 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.550 4.966 2.085 1.00 0.00 H new ATOM 778 N SER A 49 -0.279 5.660 -0.120 1.00 0.00 N ATOM 779 CA SER A 49 -1.573 6.124 0.365 1.00 0.00 C ATOM 780 C SER A 49 -2.706 5.621 -0.521 1.00 0.00 C ATOM 781 O SER A 49 -3.782 5.276 -0.032 1.00 0.00 O ATOM 782 CB SER A 49 -1.596 7.640 0.419 1.00 0.00 C ATOM 783 OG SER A 49 -0.695 8.122 1.376 1.00 0.00 O ATOM 0 H SER A 49 0.290 6.383 -0.560 1.00 0.00 H new ATOM 0 HA SER A 49 -1.720 5.723 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.343 8.046 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.603 7.984 0.657 1.00 0.00 H new ATOM 0 HG SER A 49 0.216 8.080 1.018 1.00 0.00 H new ATOM 789 N GLU A 50 -2.458 5.581 -1.825 1.00 0.00 N ATOM 790 CA GLU A 50 -3.350 4.898 -2.754 1.00 0.00 C ATOM 791 C GLU A 50 -3.368 3.396 -2.498 1.00 0.00 C ATOM 792 O GLU A 50 -4.423 2.765 -2.534 1.00 0.00 O ATOM 793 CB GLU A 50 -2.928 5.173 -4.200 1.00 0.00 C ATOM 794 CG GLU A 50 -3.268 6.571 -4.698 1.00 0.00 C ATOM 795 CD GLU A 50 -2.865 6.796 -6.129 1.00 0.00 C ATOM 796 OE1 GLU A 50 -2.365 5.880 -6.736 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.057 7.886 -6.615 1.00 0.00 O ATOM 0 H GLU A 50 -1.645 6.014 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.356 5.286 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.852 5.021 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.407 4.442 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.341 6.736 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.772 7.307 -4.066 1.00 0.00 H new ATOM 804 N ALA A 51 -2.194 2.832 -2.240 1.00 0.00 N ATOM 805 CA ALA A 51 -2.084 1.424 -1.877 1.00 0.00 C ATOM 806 C ALA A 51 -2.944 1.098 -0.664 1.00 0.00 C ATOM 807 O ALA A 51 -3.661 0.097 -0.650 1.00 0.00 O ATOM 808 CB ALA A 51 -0.632 1.057 -1.609 1.00 0.00 C ATOM 0 H ALA A 51 -1.304 3.329 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.448 0.832 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.567 0.003 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.039 1.240 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.248 1.665 -0.790 1.00 0.00 H new ATOM 814 N PHE A 52 -2.872 1.951 0.353 1.00 0.00 N ATOM 815 CA PHE A 52 -3.674 1.776 1.559 1.00 0.00 C ATOM 816 C PHE A 52 -5.162 1.796 1.237 1.00 0.00 C ATOM 817 O PHE A 52 -5.882 0.839 1.527 1.00 0.00 O ATOM 818 CB PHE A 52 -3.352 2.870 2.577 1.00 0.00 C ATOM 819 CG PHE A 52 -4.236 2.848 3.791 1.00 0.00 C ATOM 820 CD1 PHE A 52 -4.185 1.788 4.685 1.00 0.00 C ATOM 821 CD2 PHE A 52 -5.124 3.883 4.041 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.999 1.766 5.801 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.938 3.865 5.156 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.875 2.805 6.037 1.00 0.00 C ATOM 0 H PHE A 52 -2.266 2.771 0.366 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.426 0.804 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.314 2.765 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.441 3.842 2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.501 0.971 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.180 4.715 3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.949 0.935 6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.623 4.680 5.338 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.511 2.789 6.910 1.00 0.00 H new ATOM 834 N GLU A 53 -5.618 2.890 0.638 1.00 0.00 N ATOM 835 CA GLU A 53 -7.034 3.063 0.330 1.00 0.00 C ATOM 836 C GLU A 53 -7.569 1.885 -0.474 1.00 0.00 C ATOM 837 O GLU A 53 -8.626 1.336 -0.159 1.00 0.00 O ATOM 838 CB GLU A 53 -7.256 4.364 -0.443 1.00 0.00 C ATOM 839 CG GLU A 53 -8.657 4.520 -1.019 1.00 0.00 C ATOM 840 CD GLU A 53 -9.717 4.625 0.040 1.00 0.00 C ATOM 841 OE1 GLU A 53 -9.398 5.017 1.136 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.849 4.312 -0.247 1.00 0.00 O ATOM 0 H GLU A 53 -5.027 3.672 0.355 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.578 3.110 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.052 5.206 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.533 4.417 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.689 5.410 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.877 3.668 -1.662 1.00 0.00 H new ATOM 849 N ILE A 54 -6.835 1.499 -1.511 1.00 0.00 N ATOM 850 CA ILE A 54 -7.255 0.411 -2.386 1.00 0.00 C ATOM 851 C ILE A 54 -7.265 -0.920 -1.643 1.00 0.00 C ATOM 852 O ILE A 54 -8.193 -1.716 -1.788 1.00 0.00 O ATOM 853 CB ILE A 54 -6.333 0.306 -3.614 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.518 1.524 -4.524 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.609 -0.980 -4.378 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.438 1.673 -5.571 1.00 0.00 C ATOM 0 H ILE A 54 -5.944 1.924 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.268 0.636 -2.719 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.298 0.285 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.485 1.451 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.542 2.424 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.948 -1.038 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.430 -1.836 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.646 -0.989 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.638 2.557 -6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.470 1.779 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.427 0.790 -6.211 1.00 0.00 H new ATOM 868 N LEU A 55 -6.227 -1.155 -0.846 1.00 0.00 N ATOM 869 CA LEU A 55 -6.041 -2.444 -0.190 1.00 0.00 C ATOM 870 C LEU A 55 -6.730 -2.474 1.168 1.00 0.00 C ATOM 871 O LEU A 55 -6.827 -3.524 1.802 1.00 0.00 O ATOM 872 CB LEU A 55 -4.546 -2.740 -0.018 1.00 0.00 C ATOM 873 CG LEU A 55 -3.740 -2.873 -1.318 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.266 -3.045 -0.985 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.262 -4.055 -2.120 1.00 0.00 C ATOM 0 H LEU A 55 -5.501 -0.469 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.491 -3.210 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.104 -1.945 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.440 -3.665 0.550 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.853 -1.972 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.693 -3.140 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.915 -2.177 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.132 -3.942 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.690 -4.150 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.157 -4.968 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.313 -3.896 -2.360 1.00 0.00 H new ATOM 887 N ASN A 56 -7.209 -1.315 1.609 1.00 0.00 N ATOM 888 CA ASN A 56 -7.986 -1.225 2.840 1.00 0.00 C ATOM 889 C ASN A 56 -9.421 -1.685 2.620 1.00 0.00 C ATOM 890 O ASN A 56 -9.918 -2.561 3.327 1.00 0.00 O ATOM 891 CB ASN A 56 -7.955 0.189 3.388 1.00 0.00 C ATOM 892 CG ASN A 56 -8.685 0.316 4.697 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.368 -0.377 5.669 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.658 1.191 4.740 1.00 0.00 N ATOM 0 H ASN A 56 -7.072 -0.424 1.131 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.531 -1.890 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.919 0.501 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.400 0.867 2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.189 1.322 5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.885 1.742 3.912 1.00 0.00 H new ATOM 901 N ASP A 57 -10.084 -1.089 1.633 1.00 0.00 N ATOM 902 CA ASP A 57 -11.409 -1.534 1.223 1.00 0.00 C ATOM 903 C ASP A 57 -11.356 -2.923 0.599 1.00 0.00 C ATOM 904 O ASP A 57 -10.742 -3.119 -0.449 1.00 0.00 O ATOM 905 CB ASP A 57 -12.023 -0.545 0.228 1.00 0.00 C ATOM 906 CG ASP A 57 -13.452 -0.902 -0.158 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.863 -2.004 0.119 1.00 0.00 O ATOM 908 OD2 ASP A 57 -14.117 -0.072 -0.727 1.00 0.00 O ATOM 0 H ASP A 57 -9.723 -0.296 1.103 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.033 -1.580 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.008 0.455 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.407 -0.512 -0.671 1.00 0.00 H new ATOM 913 N PRO A 58 -12.001 -3.885 1.252 1.00 0.00 N ATOM 914 CA PRO A 58 -11.990 -5.267 0.787 1.00 0.00 C ATOM 915 C PRO A 58 -12.405 -5.357 -0.676 1.00 0.00 C ATOM 916 O PRO A 58 -11.889 -6.185 -1.427 1.00 0.00 O ATOM 917 CB PRO A 58 -13.008 -5.947 1.706 1.00 0.00 C ATOM 918 CG PRO A 58 -12.912 -5.186 2.984 1.00 0.00 C ATOM 919 CD PRO A 58 -12.724 -3.755 2.556 1.00 0.00 C ATOM 0 HA PRO A 58 -11.004 -5.731 0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.014 -5.900 1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.772 -7.001 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.813 -5.305 3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.075 -5.532 3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.678 -3.240 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.144 -3.189 3.284 1.00 0.00 H new ATOM 927 N GLN A 59 -13.340 -4.503 -1.076 1.00 0.00 N ATOM 928 CA GLN A 59 -13.848 -4.506 -2.443 1.00 0.00 C ATOM 929 C GLN A 59 -12.781 -4.043 -3.426 1.00 0.00 C ATOM 930 O GLN A 59 -12.571 -4.667 -4.467 1.00 0.00 O ATOM 931 CB GLN A 59 -15.087 -3.613 -2.557 1.00 0.00 C ATOM 932 CG GLN A 59 -15.728 -3.612 -3.934 1.00 0.00 C ATOM 933 CD GLN A 59 -16.282 -4.973 -4.315 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.013 -5.600 -3.543 1.00 0.00 O ATOM 935 NE2 GLN A 59 -15.937 -5.437 -5.510 1.00 0.00 N ATOM 0 H GLN A 59 -13.763 -3.798 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.124 -5.530 -2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.825 -3.940 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.810 -2.591 -2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.532 -2.876 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -14.991 -3.302 -4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.330 -4.885 -6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.279 -6.346 -5.822 1.00 0.00 H new ATOM 944 N LYS A 60 -12.112 -2.947 -3.093 1.00 0.00 N ATOM 945 CA LYS A 60 -11.055 -2.406 -3.940 1.00 0.00 C ATOM 946 C LYS A 60 -9.842 -3.328 -3.965 1.00 0.00 C ATOM 947 O LYS A 60 -9.181 -3.472 -4.992 1.00 0.00 O ATOM 948 CB LYS A 60 -10.646 -1.011 -3.463 1.00 0.00 C ATOM 949 CG LYS A 60 -11.704 0.063 -3.677 1.00 0.00 C ATOM 950 CD LYS A 60 -11.221 1.419 -3.187 1.00 0.00 C ATOM 951 CE LYS A 60 -12.302 2.480 -3.335 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.827 3.823 -2.908 1.00 0.00 N ATOM 0 H LYS A 60 -12.282 -2.414 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.447 -2.332 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.405 -1.060 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.735 -0.715 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.954 0.124 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.617 -0.213 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.923 1.345 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.337 1.717 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.627 2.524 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.171 2.197 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.604 4.509 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.509 3.780 -1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.035 4.120 -3.513 1.00 0.00 H new ATOM 966 N ARG A 61 -9.556 -3.951 -2.827 1.00 0.00 N ATOM 967 CA ARG A 61 -8.464 -4.912 -2.733 1.00 0.00 C ATOM 968 C ARG A 61 -8.676 -6.081 -3.688 1.00 0.00 C ATOM 969 O ARG A 61 -7.758 -6.487 -4.400 1.00 0.00 O ATOM 970 CB ARG A 61 -8.336 -5.439 -1.312 1.00 0.00 C ATOM 971 CG ARG A 61 -7.224 -6.456 -1.105 1.00 0.00 C ATOM 972 CD ARG A 61 -7.270 -7.050 0.256 1.00 0.00 C ATOM 973 NE ARG A 61 -8.570 -7.630 0.551 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.085 -8.710 -0.066 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.400 -9.317 -1.009 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.280 -9.161 0.277 1.00 0.00 N ATOM 0 H ARG A 61 -10.066 -3.807 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.546 -4.394 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.168 -4.597 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.283 -5.894 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.310 -7.247 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.258 -5.976 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.502 -7.818 0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.039 -6.283 0.995 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.132 -7.187 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.478 -8.970 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.790 -10.135 -1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.812 -8.690 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.670 -9.979 -0.191 1.00 0.00 H new ATOM 990 N GLU A 62 -9.891 -6.618 -3.697 1.00 0.00 N ATOM 991 CA GLU A 62 -10.237 -7.716 -4.591 1.00 0.00 C ATOM 992 C GLU A 62 -10.139 -7.290 -6.050 1.00 0.00 C ATOM 993 O GLU A 62 -9.647 -8.039 -6.894 1.00 0.00 O ATOM 994 CB GLU A 62 -11.648 -8.225 -4.291 1.00 0.00 C ATOM 995 CG GLU A 62 -11.760 -9.056 -3.021 1.00 0.00 C ATOM 996 CD GLU A 62 -11.057 -10.380 -3.124 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.039 -10.940 -4.194 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.537 -10.833 -2.132 1.00 0.00 O ATOM 0 H GLU A 62 -10.654 -6.310 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.523 -8.522 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.320 -7.371 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.992 -8.824 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.342 -8.493 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.813 -9.226 -2.796 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.611 -6.083 -6.342 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.522 -5.529 -7.687 1.00 0.00 C ATOM 1007 C ILE A 63 -9.071 -5.404 -8.137 1.00 0.00 C ATOM 1008 O ILE A 63 -8.738 -5.707 -9.283 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.204 -4.150 -7.761 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.718 -4.293 -7.586 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.878 -3.467 -9.080 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.432 -2.983 -7.348 1.00 0.00 C ATOM 0 H ILE A 63 -11.060 -5.469 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.039 -6.218 -8.355 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.822 -3.529 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.134 -4.766 -8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -12.916 -4.961 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.367 -2.494 -9.117 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.799 -3.334 -9.164 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.233 -4.083 -9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.500 -3.166 -7.234 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.045 -2.517 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.267 -2.319 -8.196 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.212 -4.956 -7.229 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.780 -4.893 -7.494 1.00 0.00 C ATOM 1026 C TYR A 64 -6.210 -6.277 -7.775 1.00 0.00 C ATOM 1027 O TYR A 64 -5.521 -6.484 -8.774 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.046 -4.245 -6.319 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.539 -4.275 -6.449 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -3.912 -3.515 -7.425 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.784 -5.062 -5.592 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.536 -3.542 -7.543 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.408 -5.090 -5.711 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.785 -4.334 -6.682 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.414 -4.360 -6.800 1.00 0.00 O ATOM 0 H TYR A 64 -8.483 -4.630 -6.301 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.631 -4.280 -8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.373 -3.209 -6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.332 -4.754 -5.399 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.499 -2.902 -8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.272 -5.653 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.045 -2.950 -8.301 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.820 -5.703 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.152 -3.974 -7.662 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.501 -7.223 -6.887 1.00 0.00 N ATOM 1046 CA ASP A 65 -5.958 -8.570 -6.999 1.00 0.00 C ATOM 1047 C ASP A 65 -6.449 -9.260 -8.266 1.00 0.00 C ATOM 1048 O ASP A 65 -5.722 -10.041 -8.880 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.340 -9.406 -5.775 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.623 -8.964 -4.507 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.643 -8.264 -4.616 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.059 -9.329 -3.442 1.00 0.00 O ATOM 0 H ASP A 65 -7.110 -7.080 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.873 -8.485 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.417 -9.341 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.109 -10.453 -5.970 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.687 -8.968 -8.650 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.323 -9.653 -9.767 1.00 0.00 C ATOM 1059 C GLN A 66 -8.009 -8.965 -11.089 1.00 0.00 C ATOM 1060 O GLN A 66 -7.751 -9.622 -12.097 1.00 0.00 O ATOM 1061 CB GLN A 66 -9.839 -9.721 -9.560 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.273 -10.633 -8.426 1.00 0.00 C ATOM 1063 CD GLN A 66 -11.774 -10.616 -8.210 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.549 -10.476 -9.160 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.193 -10.758 -6.959 1.00 0.00 N ATOM 0 H GLN A 66 -8.270 -8.260 -8.203 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.922 -10.666 -9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.213 -8.716 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.306 -10.062 -10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.951 -11.652 -8.640 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.773 -10.328 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.516 -10.871 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.192 -10.754 -6.752 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.033 -7.635 -11.079 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.056 -6.860 -12.312 1.00 0.00 C ATOM 1076 C TYR A 67 -6.821 -5.976 -12.430 1.00 0.00 C ATOM 1077 O TYR A 67 -6.183 -5.920 -13.482 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.326 -6.009 -12.386 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.604 -6.818 -12.365 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -10.876 -7.713 -13.391 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.504 -6.667 -11.322 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.043 -8.451 -13.372 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.671 -7.405 -11.302 1.00 0.00 C ATOM 1084 CZ TYR A 67 -12.941 -8.294 -12.323 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.105 -9.030 -12.304 1.00 0.00 O ATOM 0 H TYR A 67 -8.037 -7.072 -10.228 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.052 -7.560 -13.147 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.334 -5.312 -11.548 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.300 -5.412 -13.298 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.175 -7.832 -14.204 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.292 -5.971 -10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.257 -9.147 -14.169 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.372 -7.287 -10.489 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.622 -8.803 -11.503 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.487 -5.285 -11.344 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.237 -4.540 -11.264 1.00 0.00 C ATOM 1097 C GLY A 68 -5.463 -3.149 -10.685 1.00 0.00 C ATOM 1098 O GLY A 68 -6.572 -2.808 -10.276 1.00 0.00 O ATOM 0 H GLY A 68 -7.066 -5.226 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.525 -5.084 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.796 -4.456 -12.257 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.401 -2.348 -10.652 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.430 -1.067 -9.958 1.00 0.00 C ATOM 1104 C LEU A 69 -5.406 -0.103 -10.622 1.00 0.00 C ATOM 1105 O LEU A 69 -6.302 0.435 -9.971 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.028 -0.447 -9.932 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.862 0.785 -9.031 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -1.387 0.981 -8.706 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -3.433 2.008 -9.733 1.00 0.00 C ATOM 0 H LEU A 69 -3.510 -2.565 -11.099 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.765 -1.247 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.319 -1.209 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.754 -0.169 -10.950 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.405 0.639 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.268 1.856 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.008 0.099 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.827 1.129 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.315 2.883 -9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.902 2.170 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.492 1.849 -9.938 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.227 0.112 -11.922 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.060 1.048 -12.664 1.00 0.00 C ATOM 1123 C GLU A 70 -7.529 0.645 -12.607 1.00 0.00 C ATOM 1124 O GLU A 70 -8.416 1.499 -12.600 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.601 1.130 -14.122 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.286 2.218 -14.937 1.00 0.00 C ATOM 1127 CD GLU A 70 -5.984 3.602 -14.436 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -4.998 3.766 -13.759 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -6.740 4.498 -14.731 1.00 0.00 O ATOM 0 H GLU A 70 -4.511 -0.351 -12.482 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.955 2.028 -12.198 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.525 1.301 -14.142 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.780 0.167 -14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.972 2.137 -15.978 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.364 2.057 -14.916 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.778 -0.659 -12.567 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.128 -1.175 -12.378 1.00 0.00 C ATOM 1138 C ALA A 71 -9.687 -0.773 -11.019 1.00 0.00 C ATOM 1139 O ALA A 71 -10.862 -0.423 -10.900 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.142 -2.689 -12.529 1.00 0.00 C ATOM 0 H ALA A 71 -7.062 -1.379 -12.663 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.766 -0.738 -13.147 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.157 -3.060 -12.385 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.795 -2.958 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.484 -3.135 -11.783 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.840 -0.827 -9.997 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.235 -0.421 -8.654 1.00 0.00 C ATOM 1148 C ALA A 72 -9.590 1.059 -8.608 1.00 0.00 C ATOM 1149 O ALA A 72 -10.485 1.470 -7.869 1.00 0.00 O ATOM 1150 CB ALA A 72 -8.124 -0.729 -7.660 1.00 0.00 C ATOM 0 H ALA A 72 -7.875 -1.148 -10.073 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.123 -0.989 -8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.433 -0.420 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.921 -1.800 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.221 -0.188 -7.944 1.00 0.00 H new