USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.977 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.131) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00575 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 33 SER OG : rot 93:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 77:sc= 0.679 USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00248) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc=-0.00638 (180deg=-0.177) USER MOD Single : A 52 SER OG : rot 76:sc= 1 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.601 -11.712 -5.074 1.00 0.00 N ATOM 2 CA GLN A 11 -10.631 -12.578 -4.354 1.00 0.00 C ATOM 3 C GLN A 11 -10.504 -12.166 -2.892 1.00 0.00 C ATOM 4 O GLN A 11 -10.779 -11.022 -2.533 1.00 0.00 O ATOM 5 CB GLN A 11 -9.274 -12.475 -5.054 1.00 0.00 C ATOM 6 CG GLN A 11 -8.541 -13.803 -5.155 1.00 0.00 C ATOM 7 CD GLN A 11 -8.752 -14.484 -6.493 1.00 0.00 C ATOM 8 OE1 GLN A 11 -8.289 -14.004 -7.528 1.00 0.00 O ATOM 9 NE2 GLN A 11 -9.456 -15.611 -6.478 1.00 0.00 N ATOM 0 HA GLN A 11 -10.986 -13.608 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.421 -12.073 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.649 -11.764 -4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.475 -13.638 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.881 -14.463 -4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.821 -15.973 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.631 -16.114 -7.348 1.00 0.00 H new ATOM 18 N ALA A 12 -10.086 -13.107 -2.050 1.00 0.00 N ATOM 19 CA ALA A 12 -9.923 -12.840 -0.627 1.00 0.00 C ATOM 20 C ALA A 12 -8.509 -12.363 -0.315 1.00 0.00 C ATOM 21 O ALA A 12 -7.532 -13.054 -0.606 1.00 0.00 O ATOM 22 CB ALA A 12 -10.251 -14.086 0.184 1.00 0.00 C ATOM 0 H ALA A 12 -9.855 -14.060 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.616 -12.045 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.125 -13.873 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.282 -14.383 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.581 -14.895 -0.105 1.00 0.00 H new ATOM 28 N CYS A 13 -8.405 -11.178 0.278 1.00 0.00 N ATOM 29 CA CYS A 13 -7.107 -10.610 0.629 1.00 0.00 C ATOM 30 C CYS A 13 -6.962 -10.469 2.140 1.00 0.00 C ATOM 31 O CYS A 13 -7.939 -10.572 2.881 1.00 0.00 O ATOM 32 CB CYS A 13 -6.919 -9.248 -0.042 1.00 0.00 C ATOM 33 SG CYS A 13 -8.084 -7.966 0.529 1.00 0.00 S ATOM 0 H CYS A 13 -9.203 -10.592 0.526 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.336 -11.292 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.901 -8.904 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.028 -9.368 -1.120 1.00 0.00 H new ATOM 38 N THR A 14 -5.733 -10.232 2.590 1.00 0.00 N ATOM 39 CA THR A 14 -5.459 -10.075 4.013 1.00 0.00 C ATOM 40 C THR A 14 -5.148 -8.620 4.349 1.00 0.00 C ATOM 41 O THR A 14 -4.151 -8.065 3.888 1.00 0.00 O ATOM 42 CB THR A 14 -4.289 -10.969 4.429 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.911 -10.708 5.768 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.063 -10.792 3.561 1.00 0.00 C ATOM 0 H THR A 14 -4.913 -10.145 1.990 1.00 0.00 H new ATOM 0 HA THR A 14 -6.350 -10.374 4.565 1.00 0.00 H new ATOM 0 HB THR A 14 -4.650 -11.991 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.163 -11.290 6.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.271 -11.455 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.311 -11.035 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.723 -9.758 3.619 1.00 0.00 H new ATOM 52 N LEU A 15 -6.008 -8.010 5.158 1.00 0.00 N ATOM 53 CA LEU A 15 -5.824 -6.619 5.560 1.00 0.00 C ATOM 54 C LEU A 15 -4.499 -6.440 6.295 1.00 0.00 C ATOM 55 O LEU A 15 -3.910 -7.409 6.771 1.00 0.00 O ATOM 56 CB LEU A 15 -6.983 -6.168 6.454 1.00 0.00 C ATOM 57 CG LEU A 15 -7.467 -7.210 7.467 1.00 0.00 C ATOM 58 CD1 LEU A 15 -7.731 -6.560 8.817 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.716 -7.910 6.956 1.00 0.00 C ATOM 0 H LEU A 15 -6.838 -8.456 5.548 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.808 -6.003 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.677 -5.273 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.822 -5.885 5.819 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.683 -7.957 7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.074 -7.316 9.524 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.812 -6.106 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.496 -5.792 8.707 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.046 -8.647 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.506 -7.176 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.493 -8.410 6.014 1.00 0.00 H new ATOM 71 N PRO A 16 -4.009 -5.191 6.404 1.00 0.00 N ATOM 72 CA PRO A 16 -2.749 -4.894 7.089 1.00 0.00 C ATOM 73 C PRO A 16 -2.699 -5.502 8.489 1.00 0.00 C ATOM 74 O PRO A 16 -1.621 -5.764 9.024 1.00 0.00 O ATOM 75 CB PRO A 16 -2.721 -3.358 7.166 1.00 0.00 C ATOM 76 CG PRO A 16 -4.092 -2.909 6.778 1.00 0.00 C ATOM 77 CD PRO A 16 -4.637 -3.975 5.873 1.00 0.00 C ATOM 0 HA PRO A 16 -1.893 -5.315 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.468 -3.021 8.171 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.969 -2.946 6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.724 -2.783 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.057 -1.946 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.725 -4.028 5.916 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.368 -3.800 4.831 1.00 0.00 H new ATOM 85 N ASN A 17 -3.872 -5.726 9.074 1.00 0.00 N ATOM 86 CA ASN A 17 -3.962 -6.306 10.410 1.00 0.00 C ATOM 87 C ASN A 17 -3.930 -7.834 10.350 1.00 0.00 C ATOM 88 O ASN A 17 -3.783 -8.499 11.376 1.00 0.00 O ATOM 89 CB ASN A 17 -5.243 -5.837 11.104 1.00 0.00 C ATOM 90 CG ASN A 17 -4.983 -5.304 12.499 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.962 -4.094 12.721 1.00 0.00 O ATOM 92 ND2 ASN A 17 -4.783 -6.211 13.451 1.00 0.00 N ATOM 0 H ASN A 17 -4.773 -5.515 8.644 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.099 -5.968 10.984 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.715 -5.059 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.947 -6.667 11.161 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.603 -5.913 14.410 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.809 -7.205 13.222 1.00 0.00 H new ATOM 99 N ASN A 18 -4.068 -8.385 9.145 1.00 0.00 N ATOM 100 CA ASN A 18 -4.053 -9.832 8.955 1.00 0.00 C ATOM 101 C ASN A 18 -5.232 -10.490 9.665 1.00 0.00 C ATOM 102 O ASN A 18 -5.091 -11.016 10.768 1.00 0.00 O ATOM 103 CB ASN A 18 -2.738 -10.424 9.465 1.00 0.00 C ATOM 104 CG ASN A 18 -1.665 -10.456 8.397 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.427 -11.488 7.769 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.009 -9.322 8.182 1.00 0.00 N ATOM 0 H ASN A 18 -4.191 -7.849 8.286 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.141 -10.031 7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.384 -9.838 10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.915 -11.436 9.828 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.276 -9.283 7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.238 -8.490 8.725 1.00 0.00 H new ATOM 113 N ASP A 19 -6.395 -10.456 9.022 1.00 0.00 N ATOM 114 CA ASP A 19 -7.600 -11.049 9.587 1.00 0.00 C ATOM 115 C ASP A 19 -8.528 -11.551 8.484 1.00 0.00 C ATOM 116 O ASP A 19 -9.737 -11.669 8.683 1.00 0.00 O ATOM 117 CB ASP A 19 -8.333 -10.031 10.464 1.00 0.00 C ATOM 118 CG ASP A 19 -8.050 -10.228 11.940 1.00 0.00 C ATOM 119 OD1 ASP A 19 -7.072 -10.933 12.270 1.00 0.00 O ATOM 120 OD2 ASP A 19 -8.806 -9.678 12.770 1.00 0.00 O ATOM 0 H ASP A 19 -6.528 -10.023 8.108 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.303 -11.899 10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.036 -9.024 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.406 -10.111 10.289 1.00 0.00 H new ATOM 125 N LYS A 20 -7.954 -11.847 7.320 1.00 0.00 N ATOM 126 CA LYS A 20 -8.727 -12.336 6.183 1.00 0.00 C ATOM 127 C LYS A 20 -9.743 -11.295 5.724 1.00 0.00 C ATOM 128 O LYS A 20 -10.352 -10.604 6.541 1.00 0.00 O ATOM 129 CB LYS A 20 -9.444 -13.638 6.545 1.00 0.00 C ATOM 130 CG LYS A 20 -8.500 -14.764 6.937 1.00 0.00 C ATOM 131 CD LYS A 20 -8.450 -14.953 8.445 1.00 0.00 C ATOM 132 CE LYS A 20 -7.091 -15.462 8.897 1.00 0.00 C ATOM 133 NZ LYS A 20 -6.672 -14.850 10.189 1.00 0.00 N ATOM 0 H LYS A 20 -6.954 -11.756 7.140 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.034 -12.527 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.131 -13.448 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.047 -13.959 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.823 -15.691 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.499 -14.547 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.668 -14.006 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.224 -15.657 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.126 -16.546 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.347 -15.240 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.871 -15.384 10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.385 -13.863 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.467 -14.875 10.859 1.00 0.00 H new ATOM 147 N GLY A 21 -9.919 -11.188 4.412 1.00 0.00 N ATOM 148 CA GLY A 21 -10.862 -10.229 3.867 1.00 0.00 C ATOM 149 C GLY A 21 -11.077 -10.407 2.377 1.00 0.00 C ATOM 150 O GLY A 21 -10.605 -11.375 1.783 1.00 0.00 O ATOM 0 H GLY A 21 -9.426 -11.748 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.817 -10.330 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.501 -9.219 4.060 1.00 0.00 H new ATOM 154 N THR A 22 -11.795 -9.466 1.772 1.00 0.00 N ATOM 155 CA THR A 22 -12.080 -9.512 0.342 1.00 0.00 C ATOM 156 C THR A 22 -11.419 -8.341 -0.377 1.00 0.00 C ATOM 157 O THR A 22 -11.292 -7.254 0.182 1.00 0.00 O ATOM 158 CB THR A 22 -13.589 -9.491 0.099 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.242 -10.449 0.912 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.968 -9.773 -1.339 1.00 0.00 C ATOM 0 H THR A 22 -12.192 -8.659 2.253 1.00 0.00 H new ATOM 0 HA THR A 22 -11.671 -10.440 -0.057 1.00 0.00 H new ATOM 0 HB THR A 22 -13.907 -8.479 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.207 -10.418 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.053 -9.743 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.521 -9.020 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.604 -10.760 -1.624 1.00 0.00 H new ATOM 168 N CYS A 23 -10.996 -8.568 -1.616 1.00 0.00 N ATOM 169 CA CYS A 23 -10.344 -7.523 -2.397 1.00 0.00 C ATOM 170 C CYS A 23 -11.136 -7.199 -3.659 1.00 0.00 C ATOM 171 O CYS A 23 -11.381 -8.068 -4.494 1.00 0.00 O ATOM 172 CB CYS A 23 -8.924 -7.947 -2.774 1.00 0.00 C ATOM 173 SG CYS A 23 -7.746 -6.561 -2.900 1.00 0.00 S ATOM 0 H CYS A 23 -11.092 -9.461 -2.099 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.301 -6.626 -1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.558 -8.655 -2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.954 -8.473 -3.728 1.00 0.00 H new ATOM 178 N LYS A 24 -11.528 -5.937 -3.787 1.00 0.00 N ATOM 179 CA LYS A 24 -12.288 -5.480 -4.944 1.00 0.00 C ATOM 180 C LYS A 24 -11.897 -4.053 -5.311 1.00 0.00 C ATOM 181 O LYS A 24 -11.210 -3.374 -4.550 1.00 0.00 O ATOM 182 CB LYS A 24 -13.789 -5.555 -4.658 1.00 0.00 C ATOM 183 CG LYS A 24 -14.218 -4.748 -3.444 1.00 0.00 C ATOM 184 CD LYS A 24 -15.662 -5.033 -3.065 1.00 0.00 C ATOM 185 CE LYS A 24 -15.761 -6.185 -2.078 1.00 0.00 C ATOM 186 NZ LYS A 24 -16.802 -5.942 -1.042 1.00 0.00 N ATOM 0 H LYS A 24 -11.331 -5.209 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.057 -6.133 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.335 -5.199 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.070 -6.597 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.567 -4.983 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.099 -3.685 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.108 -4.139 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.235 -5.270 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.992 -7.105 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.795 -6.332 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.837 -6.751 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.569 -5.079 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.728 -5.827 -1.501 1.00 0.00 H new ATOM 200 N SER A 25 -12.341 -3.602 -6.479 1.00 0.00 N ATOM 201 CA SER A 25 -12.035 -2.251 -6.938 1.00 0.00 C ATOM 202 C SER A 25 -12.531 -1.213 -5.937 1.00 0.00 C ATOM 203 O SER A 25 -13.111 -1.557 -4.908 1.00 0.00 O ATOM 204 CB SER A 25 -12.667 -2.000 -8.309 1.00 0.00 C ATOM 205 OG SER A 25 -12.460 -3.101 -9.176 1.00 0.00 O ATOM 0 H SER A 25 -12.912 -4.149 -7.123 1.00 0.00 H new ATOM 0 HA SER A 25 -10.952 -2.158 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.736 -1.821 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.239 -1.100 -8.751 1.00 0.00 H new ATOM 0 HG SER A 25 -12.875 -2.916 -10.044 1.00 0.00 H new ATOM 211 N LEU A 26 -12.296 0.059 -6.242 1.00 0.00 N ATOM 212 CA LEU A 26 -12.721 1.145 -5.366 1.00 0.00 C ATOM 213 C LEU A 26 -14.090 1.682 -5.775 1.00 0.00 C ATOM 214 O LEU A 26 -14.392 2.858 -5.572 1.00 0.00 O ATOM 215 CB LEU A 26 -11.690 2.276 -5.387 1.00 0.00 C ATOM 216 CG LEU A 26 -11.618 3.065 -6.698 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.209 4.457 -6.519 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.181 3.156 -7.190 1.00 0.00 C ATOM 0 H LEU A 26 -11.814 0.363 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.799 0.748 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.917 2.968 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.706 1.854 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.206 2.536 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.149 5.002 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.252 4.373 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.650 4.994 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.151 3.720 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.571 3.660 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.790 2.153 -7.360 1.00 0.00 H new ATOM 230 N LEU A 27 -14.917 0.813 -6.351 1.00 0.00 N ATOM 231 CA LEU A 27 -16.253 1.201 -6.785 1.00 0.00 C ATOM 232 C LEU A 27 -17.253 0.074 -6.545 1.00 0.00 C ATOM 233 O LEU A 27 -18.242 -0.057 -7.266 1.00 0.00 O ATOM 234 CB LEU A 27 -16.243 1.581 -8.268 1.00 0.00 C ATOM 235 CG LEU A 27 -15.057 2.442 -8.710 1.00 0.00 C ATOM 236 CD1 LEU A 27 -14.856 2.339 -10.214 1.00 0.00 C ATOM 237 CD2 LEU A 27 -15.268 3.890 -8.295 1.00 0.00 C ATOM 0 H LEU A 27 -14.684 -0.164 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.559 2.067 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.249 0.667 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.165 2.116 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.158 2.072 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.009 2.957 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.661 1.301 -10.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.754 2.684 -10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.416 4.489 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.177 4.273 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.363 3.948 -7.211 1.00 0.00 H new ATOM 249 N GLN A 28 -16.986 -0.741 -5.528 1.00 0.00 N ATOM 250 CA GLN A 28 -17.863 -1.858 -5.194 1.00 0.00 C ATOM 251 C GLN A 28 -18.256 -1.820 -3.722 1.00 0.00 C ATOM 252 O GLN A 28 -19.434 -1.926 -3.381 1.00 0.00 O ATOM 253 CB GLN A 28 -17.174 -3.186 -5.515 1.00 0.00 C ATOM 254 CG GLN A 28 -17.137 -3.510 -6.999 1.00 0.00 C ATOM 255 CD GLN A 28 -17.297 -4.992 -7.277 1.00 0.00 C ATOM 256 OE1 GLN A 28 -16.678 -5.829 -6.621 1.00 0.00 O ATOM 257 NE2 GLN A 28 -18.132 -5.324 -8.254 1.00 0.00 N ATOM 0 H GLN A 28 -16.171 -0.649 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.768 -1.770 -5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.154 -3.158 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.690 -3.990 -4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.930 -2.961 -7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.192 -3.165 -7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.625 -4.597 -8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.281 -6.306 -8.486 1.00 0.00 H new ATOM 266 N CYS A 29 -17.262 -1.666 -2.851 1.00 0.00 N ATOM 267 CA CYS A 29 -17.505 -1.614 -1.415 1.00 0.00 C ATOM 268 C CYS A 29 -18.438 -0.459 -1.064 1.00 0.00 C ATOM 269 O CYS A 29 -18.254 0.665 -1.534 1.00 0.00 O ATOM 270 CB CYS A 29 -16.186 -1.466 -0.656 1.00 0.00 C ATOM 271 SG CYS A 29 -16.123 -2.385 0.916 1.00 0.00 S ATOM 0 H CYS A 29 -16.281 -1.575 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.982 -2.548 -1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.371 -1.806 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.013 -0.409 -0.453 1.00 0.00 H new ATOM 276 N ASP A 30 -19.442 -0.741 -0.240 1.00 0.00 N ATOM 277 CA ASP A 30 -20.401 0.277 0.170 1.00 0.00 C ATOM 278 C ASP A 30 -19.709 1.411 0.915 1.00 0.00 C ATOM 279 O ASP A 30 -19.992 2.585 0.681 1.00 0.00 O ATOM 280 CB ASP A 30 -21.490 -0.340 1.052 1.00 0.00 C ATOM 281 CG ASP A 30 -22.616 -0.949 0.239 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.333 -1.828 -0.601 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.780 -0.547 0.445 1.00 0.00 O ATOM 0 H ASP A 30 -19.612 -1.665 0.156 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.861 0.686 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.048 -1.108 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.896 0.426 1.713 1.00 0.00 H new ATOM 288 N VAL A 31 -18.796 1.050 1.805 1.00 0.00 N ATOM 289 CA VAL A 31 -18.055 2.037 2.579 1.00 0.00 C ATOM 290 C VAL A 31 -17.128 2.838 1.678 1.00 0.00 C ATOM 291 O VAL A 31 -17.016 4.054 1.805 1.00 0.00 O ATOM 292 CB VAL A 31 -17.232 1.374 3.702 1.00 0.00 C ATOM 293 CG1 VAL A 31 -16.225 0.394 3.120 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.535 2.427 4.552 1.00 0.00 C ATOM 0 H VAL A 31 -18.550 0.081 2.009 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.786 2.706 3.034 1.00 0.00 H new ATOM 0 HB VAL A 31 -17.914 0.818 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.654 -0.064 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.752 -0.381 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -15.547 0.924 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -15.960 1.938 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.865 3.015 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.280 3.083 5.002 1.00 0.00 H new ATOM 304 N ALA A 32 -16.472 2.143 0.759 1.00 0.00 N ATOM 305 CA ALA A 32 -15.559 2.785 -0.175 1.00 0.00 C ATOM 306 C ALA A 32 -16.314 3.731 -1.102 1.00 0.00 C ATOM 307 O ALA A 32 -15.812 4.793 -1.465 1.00 0.00 O ATOM 308 CB ALA A 32 -14.805 1.740 -0.982 1.00 0.00 C ATOM 0 H ALA A 32 -16.556 1.133 0.641 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.838 3.369 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.126 2.236 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.233 1.103 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.515 1.131 -1.542 1.00 0.00 H new ATOM 314 N SER A 33 -17.522 3.331 -1.483 1.00 0.00 N ATOM 315 CA SER A 33 -18.350 4.136 -2.373 1.00 0.00 C ATOM 316 C SER A 33 -18.792 5.435 -1.705 1.00 0.00 C ATOM 317 O SER A 33 -18.890 6.474 -2.357 1.00 0.00 O ATOM 318 CB SER A 33 -19.578 3.337 -2.818 1.00 0.00 C ATOM 319 OG SER A 33 -19.198 2.118 -3.430 1.00 0.00 O ATOM 0 H SER A 33 -17.950 2.453 -1.189 1.00 0.00 H new ATOM 0 HA SER A 33 -17.748 4.392 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.214 3.132 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.168 3.930 -3.517 1.00 0.00 H new ATOM 0 HG SER A 33 -19.177 1.406 -2.756 1.00 0.00 H new ATOM 325 N LYS A 34 -19.064 5.372 -0.406 1.00 0.00 N ATOM 326 CA LYS A 34 -19.502 6.552 0.334 1.00 0.00 C ATOM 327 C LYS A 34 -18.365 7.558 0.487 1.00 0.00 C ATOM 328 O LYS A 34 -18.594 8.768 0.505 1.00 0.00 O ATOM 329 CB LYS A 34 -20.060 6.154 1.708 1.00 0.00 C ATOM 330 CG LYS A 34 -19.002 5.708 2.708 1.00 0.00 C ATOM 331 CD LYS A 34 -19.171 6.407 4.050 1.00 0.00 C ATOM 332 CE LYS A 34 -19.075 5.428 5.208 1.00 0.00 C ATOM 333 NZ LYS A 34 -18.490 6.059 6.423 1.00 0.00 N ATOM 0 H LYS A 34 -18.990 4.523 0.154 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.299 7.029 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.604 7.001 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.781 5.347 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.065 4.629 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.010 5.920 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.406 7.176 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.137 6.912 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -20.068 5.043 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.464 4.575 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.442 5.358 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.532 6.403 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.086 6.857 6.721 1.00 0.00 H new ATOM 347 N ILE A 35 -17.139 7.055 0.594 1.00 0.00 N ATOM 348 CA ILE A 35 -15.972 7.917 0.743 1.00 0.00 C ATOM 349 C ILE A 35 -15.688 8.678 -0.550 1.00 0.00 C ATOM 350 O ILE A 35 -15.268 9.834 -0.522 1.00 0.00 O ATOM 351 CB ILE A 35 -14.720 7.108 1.147 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.961 6.391 2.476 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.501 8.016 1.242 1.00 0.00 C ATOM 354 CD1 ILE A 35 -15.094 7.329 3.657 1.00 0.00 C ATOM 0 H ILE A 35 -16.928 6.057 0.580 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.199 8.629 1.537 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.527 6.360 0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.867 5.791 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.137 5.702 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.630 7.427 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.320 8.485 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.679 8.787 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.263 6.750 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.179 7.912 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.936 8.002 3.494 1.00 0.00 H new ATOM 366 N ILE A 36 -15.922 8.020 -1.680 1.00 0.00 N ATOM 367 CA ILE A 36 -15.695 8.635 -2.982 1.00 0.00 C ATOM 368 C ILE A 36 -16.772 9.669 -3.293 1.00 0.00 C ATOM 369 O ILE A 36 -16.523 10.647 -3.997 1.00 0.00 O ATOM 370 CB ILE A 36 -15.670 7.577 -4.104 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.624 6.500 -3.795 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.389 8.230 -5.451 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.195 6.962 -3.985 1.00 0.00 C ATOM 0 H ILE A 36 -16.269 7.062 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.724 9.128 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.650 7.102 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.754 6.166 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.805 5.637 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.375 7.467 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.168 8.959 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.422 8.731 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.514 6.145 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.046 7.269 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.994 7.806 -3.324 1.00 0.00 H new ATOM 385 N SER A 37 -17.970 9.447 -2.763 1.00 0.00 N ATOM 386 CA SER A 37 -19.087 10.359 -2.983 1.00 0.00 C ATOM 387 C SER A 37 -19.331 11.247 -1.762 1.00 0.00 C ATOM 388 O SER A 37 -20.235 12.082 -1.767 1.00 0.00 O ATOM 389 CB SER A 37 -20.356 9.571 -3.314 1.00 0.00 C ATOM 390 OG SER A 37 -20.064 8.460 -4.144 1.00 0.00 O ATOM 0 H SER A 37 -18.193 8.642 -2.177 1.00 0.00 H new ATOM 0 HA SER A 37 -18.831 11.002 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.825 9.227 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 37 -21.073 10.223 -3.813 1.00 0.00 H new ATOM 0 HG SER A 37 -19.661 7.747 -3.606 1.00 0.00 H new ATOM 396 N LYS A 38 -18.523 11.067 -0.719 1.00 0.00 N ATOM 397 CA LYS A 38 -18.663 11.857 0.498 1.00 0.00 C ATOM 398 C LYS A 38 -18.373 13.330 0.226 1.00 0.00 C ATOM 399 O LYS A 38 -19.289 14.126 0.024 1.00 0.00 O ATOM 400 CB LYS A 38 -17.730 11.321 1.589 1.00 0.00 C ATOM 401 CG LYS A 38 -18.454 10.568 2.694 1.00 0.00 C ATOM 402 CD LYS A 38 -17.992 11.014 4.072 1.00 0.00 C ATOM 403 CE LYS A 38 -18.940 12.040 4.672 1.00 0.00 C ATOM 404 NZ LYS A 38 -19.003 13.284 3.858 1.00 0.00 N ATOM 0 H LYS A 38 -17.767 10.383 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.693 11.772 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.993 10.660 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.182 12.154 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.528 10.728 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.280 9.498 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.925 10.149 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.991 11.439 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.938 11.608 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.616 12.285 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.647 13.963 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.053 13.702 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.353 13.058 2.905 1.00 0.00 H new ATOM 418 N LYS A 39 -17.092 13.687 0.219 1.00 0.00 N ATOM 419 CA LYS A 39 -16.680 15.065 -0.031 1.00 0.00 C ATOM 420 C LYS A 39 -15.163 15.215 0.097 1.00 0.00 C ATOM 421 O LYS A 39 -14.485 15.575 -0.865 1.00 0.00 O ATOM 422 CB LYS A 39 -17.387 16.021 0.936 1.00 0.00 C ATOM 423 CG LYS A 39 -18.175 17.119 0.239 1.00 0.00 C ATOM 424 CD LYS A 39 -17.591 18.496 0.518 1.00 0.00 C ATOM 425 CE LYS A 39 -17.412 19.296 -0.763 1.00 0.00 C ATOM 426 NZ LYS A 39 -16.203 18.866 -1.521 1.00 0.00 N ATOM 0 H LYS A 39 -16.320 13.041 0.384 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.966 15.321 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.062 15.448 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.644 16.478 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.180 16.937 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.212 17.090 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.247 19.039 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.629 18.390 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.295 19.179 -1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.331 20.356 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.116 19.435 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.357 19.002 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.291 17.861 -1.774 1.00 0.00 H new ATOM 440 N PRO A 40 -14.610 14.942 1.293 1.00 0.00 N ATOM 441 CA PRO A 40 -13.166 15.052 1.535 1.00 0.00 C ATOM 442 C PRO A 40 -12.362 14.030 0.741 1.00 0.00 C ATOM 443 O PRO A 40 -12.791 12.891 0.558 1.00 0.00 O ATOM 444 CB PRO A 40 -13.031 14.786 3.038 1.00 0.00 C ATOM 445 CG PRO A 40 -14.247 14.006 3.398 1.00 0.00 C ATOM 446 CD PRO A 40 -15.339 14.508 2.498 1.00 0.00 C ATOM 0 HA PRO A 40 -12.778 16.022 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.122 14.227 3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.978 15.718 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.083 12.938 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.508 14.150 4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.064 13.727 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.890 15.331 2.954 1.00 0.00 H new ATOM 454 N ARG A 41 -11.187 14.445 0.275 1.00 0.00 N ATOM 455 CA ARG A 41 -10.314 13.569 -0.497 1.00 0.00 C ATOM 456 C ARG A 41 -8.878 14.085 -0.477 1.00 0.00 C ATOM 457 O ARG A 41 -8.396 14.649 -1.459 1.00 0.00 O ATOM 458 CB ARG A 41 -10.811 13.459 -1.940 1.00 0.00 C ATOM 459 CG ARG A 41 -10.128 12.359 -2.738 1.00 0.00 C ATOM 460 CD ARG A 41 -10.252 12.593 -4.234 1.00 0.00 C ATOM 461 NE ARG A 41 -11.240 11.708 -4.849 1.00 0.00 N ATOM 462 CZ ARG A 41 -12.549 11.951 -4.862 1.00 0.00 C ATOM 463 NH1 ARG A 41 -13.034 13.044 -4.289 1.00 0.00 N ATOM 464 NH2 ARG A 41 -13.375 11.094 -5.447 1.00 0.00 N ATOM 0 H ARG A 41 -10.818 15.385 0.420 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.334 12.580 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.886 13.277 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.653 14.413 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.074 12.310 -2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.569 11.396 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.532 13.631 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.282 12.437 -4.707 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.907 10.853 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.403 13.704 -3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.038 13.224 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.007 10.250 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.378 11.279 -5.458 1.00 0.00 H new ATOM 478 N THR A 42 -8.202 13.890 0.651 1.00 0.00 N ATOM 479 CA THR A 42 -6.824 14.341 0.803 1.00 0.00 C ATOM 480 C THR A 42 -5.843 13.227 0.455 1.00 0.00 C ATOM 481 O THR A 42 -6.243 12.113 0.115 1.00 0.00 O ATOM 482 CB THR A 42 -6.578 14.822 2.235 1.00 0.00 C ATOM 483 OG1 THR A 42 -7.795 15.210 2.849 1.00 0.00 O ATOM 484 CG2 THR A 42 -5.628 15.997 2.317 1.00 0.00 C ATOM 0 H THR A 42 -8.586 13.423 1.472 1.00 0.00 H new ATOM 0 HA THR A 42 -6.663 15.170 0.114 1.00 0.00 H new ATOM 0 HB THR A 42 -6.127 13.974 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.618 15.513 3.764 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.498 16.287 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.663 15.715 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.038 16.836 1.755 1.00 0.00 H new ATOM 492 N ALA A 43 -4.552 13.537 0.542 1.00 0.00 N ATOM 493 CA ALA A 43 -3.507 12.569 0.238 1.00 0.00 C ATOM 494 C ALA A 43 -3.521 11.412 1.231 1.00 0.00 C ATOM 495 O ALA A 43 -3.196 10.278 0.881 1.00 0.00 O ATOM 496 CB ALA A 43 -2.145 13.249 0.234 1.00 0.00 C ATOM 0 H ALA A 43 -4.206 14.455 0.822 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.701 12.161 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.372 12.515 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.133 14.035 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.953 13.685 1.215 1.00 0.00 H new ATOM 502 N GLN A 44 -3.895 11.708 2.471 1.00 0.00 N ATOM 503 CA GLN A 44 -3.945 10.693 3.516 1.00 0.00 C ATOM 504 C GLN A 44 -4.911 9.571 3.144 1.00 0.00 C ATOM 505 O GLN A 44 -4.700 8.412 3.500 1.00 0.00 O ATOM 506 CB GLN A 44 -4.365 11.320 4.846 1.00 0.00 C ATOM 507 CG GLN A 44 -3.251 12.090 5.536 1.00 0.00 C ATOM 508 CD GLN A 44 -3.465 13.591 5.493 1.00 0.00 C ATOM 509 OE1 GLN A 44 -2.638 14.333 4.962 1.00 0.00 O ATOM 510 NE2 GLN A 44 -4.580 14.046 6.051 1.00 0.00 N ATOM 0 H GLN A 44 -4.168 12.642 2.777 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.947 10.268 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.205 11.992 4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.719 10.534 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.180 11.767 6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.300 11.849 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.238 13.395 6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.779 15.046 6.051 1.00 0.00 H new ATOM 519 N ASP A 45 -5.969 9.924 2.422 1.00 0.00 N ATOM 520 CA ASP A 45 -6.963 8.945 2.000 1.00 0.00 C ATOM 521 C ASP A 45 -6.395 8.013 0.935 1.00 0.00 C ATOM 522 O ASP A 45 -6.720 6.825 0.896 1.00 0.00 O ATOM 523 CB ASP A 45 -8.211 9.650 1.466 1.00 0.00 C ATOM 524 CG ASP A 45 -9.145 10.090 2.576 1.00 0.00 C ATOM 525 OD1 ASP A 45 -8.712 10.884 3.437 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.311 9.640 2.584 1.00 0.00 O ATOM 0 H ASP A 45 -6.160 10.879 2.118 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.237 8.347 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.912 10.519 0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.743 8.979 0.791 1.00 0.00 H new ATOM 531 N GLU A 46 -5.552 8.561 0.066 1.00 0.00 N ATOM 532 CA GLU A 46 -4.944 7.781 -1.007 1.00 0.00 C ATOM 533 C GLU A 46 -3.951 6.764 -0.458 1.00 0.00 C ATOM 534 O GLU A 46 -3.866 5.639 -0.952 1.00 0.00 O ATOM 535 CB GLU A 46 -4.247 8.705 -2.008 1.00 0.00 C ATOM 536 CG GLU A 46 -5.210 9.504 -2.871 1.00 0.00 C ATOM 537 CD GLU A 46 -5.718 8.714 -4.060 1.00 0.00 C ATOM 538 OE1 GLU A 46 -4.896 8.357 -4.931 1.00 0.00 O ATOM 539 OE2 GLU A 46 -6.937 8.453 -4.124 1.00 0.00 O ATOM 0 H GLU A 46 -5.274 9.542 0.083 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.740 7.238 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.601 9.395 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.603 8.108 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.057 9.824 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.712 10.407 -3.225 1.00 0.00 H new ATOM 546 N LYS A 47 -3.202 7.159 0.561 1.00 0.00 N ATOM 547 CA LYS A 47 -2.223 6.268 1.167 1.00 0.00 C ATOM 548 C LYS A 47 -2.921 5.121 1.888 1.00 0.00 C ATOM 549 O LYS A 47 -2.452 3.984 1.868 1.00 0.00 O ATOM 550 CB LYS A 47 -1.320 7.032 2.138 1.00 0.00 C ATOM 551 CG LYS A 47 -2.077 7.731 3.252 1.00 0.00 C ATOM 552 CD LYS A 47 -1.140 8.207 4.351 1.00 0.00 C ATOM 553 CE LYS A 47 -1.128 7.245 5.528 1.00 0.00 C ATOM 554 NZ LYS A 47 -0.326 6.024 5.241 1.00 0.00 N ATOM 0 H LYS A 47 -3.253 8.086 0.984 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.602 5.856 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.604 6.338 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.746 7.772 1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.623 8.582 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.817 7.050 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.131 8.308 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.449 9.196 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.720 7.749 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.151 6.958 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.216 5.468 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.813 5.450 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.612 6.300 4.886 1.00 0.00 H new ATOM 568 N PHE A 48 -4.045 5.432 2.524 1.00 0.00 N ATOM 569 CA PHE A 48 -4.810 4.427 3.248 1.00 0.00 C ATOM 570 C PHE A 48 -5.366 3.379 2.294 1.00 0.00 C ATOM 571 O PHE A 48 -5.280 2.178 2.556 1.00 0.00 O ATOM 572 CB PHE A 48 -5.948 5.082 4.034 1.00 0.00 C ATOM 573 CG PHE A 48 -5.681 5.181 5.509 1.00 0.00 C ATOM 574 CD1 PHE A 48 -5.291 4.065 6.231 1.00 0.00 C ATOM 575 CD2 PHE A 48 -5.819 6.391 6.171 1.00 0.00 C ATOM 576 CE1 PHE A 48 -5.045 4.152 7.588 1.00 0.00 C ATOM 577 CE2 PHE A 48 -5.574 6.484 7.529 1.00 0.00 C ATOM 578 CZ PHE A 48 -5.186 5.364 8.237 1.00 0.00 C ATOM 0 H PHE A 48 -4.445 6.370 2.552 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.139 3.932 3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.124 6.082 3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.863 4.511 3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.178 3.116 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.121 7.270 5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.743 3.274 8.140 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.686 7.432 8.035 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.993 5.435 9.297 1.00 0.00 H new ATOM 588 N LEU A 49 -5.928 3.835 1.182 1.00 0.00 N ATOM 589 CA LEU A 49 -6.484 2.923 0.190 1.00 0.00 C ATOM 590 C LEU A 49 -5.361 2.205 -0.545 1.00 0.00 C ATOM 591 O LEU A 49 -5.481 1.029 -0.891 1.00 0.00 O ATOM 592 CB LEU A 49 -7.380 3.672 -0.802 1.00 0.00 C ATOM 593 CG LEU A 49 -6.737 4.877 -1.490 1.00 0.00 C ATOM 594 CD1 LEU A 49 -5.986 4.441 -2.740 1.00 0.00 C ATOM 595 CD2 LEU A 49 -7.795 5.914 -1.836 1.00 0.00 C ATOM 0 H LEU A 49 -6.011 4.824 0.945 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.098 2.185 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.709 2.971 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.272 4.010 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.022 5.328 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.535 5.312 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.205 3.732 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.680 3.966 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.323 6.766 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.531 5.472 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.290 6.248 -0.924 1.00 0.00 H new ATOM 607 N ARG A 50 -4.262 2.919 -0.766 1.00 0.00 N ATOM 608 CA ARG A 50 -3.105 2.353 -1.446 1.00 0.00 C ATOM 609 C ARG A 50 -2.456 1.274 -0.587 1.00 0.00 C ATOM 610 O ARG A 50 -1.972 0.265 -1.100 1.00 0.00 O ATOM 611 CB ARG A 50 -2.085 3.449 -1.763 1.00 0.00 C ATOM 612 CG ARG A 50 -2.306 4.111 -3.112 1.00 0.00 C ATOM 613 CD ARG A 50 -1.037 4.777 -3.624 1.00 0.00 C ATOM 614 NE ARG A 50 -1.193 6.224 -3.754 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.817 6.814 -4.771 1.00 0.00 C ATOM 616 NH1 ARG A 50 -2.343 6.086 -5.749 1.00 0.00 N ATOM 617 NH2 ARG A 50 -1.916 8.136 -4.811 1.00 0.00 N ATOM 0 H ARG A 50 -4.149 3.892 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.443 1.903 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.126 4.209 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.083 3.020 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.643 3.366 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.099 4.854 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.214 4.561 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.770 4.353 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.801 6.817 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.270 5.069 -5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.820 6.544 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.514 8.700 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.394 8.588 -5.590 1.00 0.00 H new ATOM 631 N GLU A 51 -2.452 1.495 0.724 1.00 0.00 N ATOM 632 CA GLU A 51 -1.863 0.544 1.660 1.00 0.00 C ATOM 633 C GLU A 51 -2.742 -0.695 1.804 1.00 0.00 C ATOM 634 O GLU A 51 -2.243 -1.805 1.992 1.00 0.00 O ATOM 635 CB GLU A 51 -1.657 1.199 3.026 1.00 0.00 C ATOM 636 CG GLU A 51 -0.749 0.403 3.951 1.00 0.00 C ATOM 637 CD GLU A 51 0.249 1.280 4.684 1.00 0.00 C ATOM 638 OE1 GLU A 51 -0.187 2.141 5.477 1.00 0.00 O ATOM 639 OE2 GLU A 51 1.466 1.104 4.466 1.00 0.00 O ATOM 0 H GLU A 51 -2.851 2.325 1.162 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.895 0.237 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.234 2.194 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.626 1.331 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.358 -0.134 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.211 -0.346 3.370 1.00 0.00 H new ATOM 646 N SER A 52 -4.053 -0.495 1.717 1.00 0.00 N ATOM 647 CA SER A 52 -5.002 -1.596 1.838 1.00 0.00 C ATOM 648 C SER A 52 -5.437 -2.093 0.464 1.00 0.00 C ATOM 649 O SER A 52 -6.595 -2.457 0.263 1.00 0.00 O ATOM 650 CB SER A 52 -6.225 -1.155 2.644 1.00 0.00 C ATOM 651 OG SER A 52 -5.849 -0.323 3.729 1.00 0.00 O ATOM 0 H SER A 52 -4.482 0.418 1.563 1.00 0.00 H new ATOM 0 HA SER A 52 -4.506 -2.415 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.918 -0.620 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.752 -2.032 3.020 1.00 0.00 H new ATOM 0 HG SER A 52 -5.633 0.572 3.395 1.00 0.00 H new ATOM 657 N ALA A 53 -4.500 -2.108 -0.479 1.00 0.00 N ATOM 658 CA ALA A 53 -4.788 -2.561 -1.834 1.00 0.00 C ATOM 659 C ALA A 53 -3.938 -3.775 -2.198 1.00 0.00 C ATOM 660 O ALA A 53 -2.723 -3.774 -2.003 1.00 0.00 O ATOM 661 CB ALA A 53 -4.554 -1.435 -2.829 1.00 0.00 C ATOM 0 H ALA A 53 -3.536 -1.812 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.836 -2.856 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.773 -1.788 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.207 -0.596 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.514 -1.113 -2.776 1.00 0.00 H new ATOM 667 N CYS A 54 -4.585 -4.809 -2.726 1.00 0.00 N ATOM 668 CA CYS A 54 -3.888 -6.028 -3.115 1.00 0.00 C ATOM 669 C CYS A 54 -3.433 -5.958 -4.571 1.00 0.00 C ATOM 670 O CYS A 54 -3.677 -6.875 -5.355 1.00 0.00 O ATOM 671 CB CYS A 54 -4.790 -7.248 -2.905 1.00 0.00 C ATOM 672 SG CYS A 54 -6.231 -7.314 -4.020 1.00 0.00 S ATOM 0 H CYS A 54 -5.591 -4.826 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.005 -6.127 -2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.197 -8.152 -3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.143 -7.252 -1.874 1.00 0.00 H new ATOM 677 N GLY A 55 -2.769 -4.862 -4.926 1.00 0.00 N ATOM 678 CA GLY A 55 -2.291 -4.693 -6.285 1.00 0.00 C ATOM 679 C GLY A 55 -1.139 -3.713 -6.379 1.00 0.00 C ATOM 680 O GLY A 55 -1.098 -2.720 -5.652 1.00 0.00 O ATOM 0 H GLY A 55 -2.554 -4.089 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.974 -5.659 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.111 -4.346 -6.914 1.00 0.00 H new ATOM 684 N PHE A 56 -0.199 -3.991 -7.278 1.00 0.00 N ATOM 685 CA PHE A 56 0.959 -3.127 -7.468 1.00 0.00 C ATOM 686 C PHE A 56 0.884 -2.402 -8.807 1.00 0.00 C ATOM 687 O PHE A 56 1.910 -2.113 -9.425 1.00 0.00 O ATOM 688 CB PHE A 56 2.249 -3.944 -7.387 1.00 0.00 C ATOM 689 CG PHE A 56 2.685 -4.241 -5.980 1.00 0.00 C ATOM 690 CD1 PHE A 56 1.821 -4.859 -5.090 1.00 0.00 C ATOM 691 CD2 PHE A 56 3.957 -3.900 -5.548 1.00 0.00 C ATOM 692 CE1 PHE A 56 2.219 -5.133 -3.795 1.00 0.00 C ATOM 693 CE2 PHE A 56 4.360 -4.171 -4.254 1.00 0.00 C ATOM 694 CZ PHE A 56 3.490 -4.789 -3.377 1.00 0.00 C ATOM 0 H PHE A 56 -0.218 -4.809 -7.887 1.00 0.00 H new ATOM 0 HA PHE A 56 0.959 -2.381 -6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.108 -4.884 -7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.045 -3.403 -7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.826 -5.129 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.641 -3.417 -6.230 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.537 -5.616 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.354 -3.900 -3.929 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.803 -5.003 -2.366 1.00 0.00 H new ATOM 704 N ASP A 57 -0.333 -2.114 -9.252 1.00 0.00 N ATOM 705 CA ASP A 57 -0.542 -1.423 -10.520 1.00 0.00 C ATOM 706 C ASP A 57 -0.999 0.013 -10.287 1.00 0.00 C ATOM 707 O ASP A 57 -1.552 0.336 -9.234 1.00 0.00 O ATOM 708 CB ASP A 57 -1.575 -2.171 -11.367 1.00 0.00 C ATOM 709 CG ASP A 57 -1.187 -2.231 -12.831 1.00 0.00 C ATOM 710 OD1 ASP A 57 -0.086 -2.737 -13.134 1.00 0.00 O ATOM 711 OD2 ASP A 57 -1.983 -1.771 -13.676 1.00 0.00 O ATOM 0 H ASP A 57 -1.192 -2.348 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 57 0.407 -1.400 -11.055 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.691 -3.184 -10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.544 -1.681 -11.270 1.00 0.00 H new ATOM 716 N GLY A 58 -0.764 0.871 -11.273 1.00 0.00 N ATOM 717 CA GLY A 58 -1.158 2.263 -11.155 1.00 0.00 C ATOM 718 C GLY A 58 -2.396 2.588 -11.967 1.00 0.00 C ATOM 719 O GLY A 58 -3.139 3.512 -11.634 1.00 0.00 O ATOM 0 H GLY A 58 -0.308 0.628 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.344 2.497 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.336 2.899 -11.483 1.00 0.00 H new ATOM 723 N GLN A 59 -2.618 1.830 -13.036 1.00 0.00 N ATOM 724 CA GLN A 59 -3.773 2.044 -13.898 1.00 0.00 C ATOM 725 C GLN A 59 -5.011 1.349 -13.337 1.00 0.00 C ATOM 726 O GLN A 59 -6.118 1.884 -13.400 1.00 0.00 O ATOM 727 CB GLN A 59 -3.483 1.532 -15.310 1.00 0.00 C ATOM 728 CG GLN A 59 -2.609 2.466 -16.128 1.00 0.00 C ATOM 729 CD GLN A 59 -1.606 1.723 -16.990 1.00 0.00 C ATOM 730 OE1 GLN A 59 -1.719 1.699 -18.215 1.00 0.00 O ATOM 731 NE2 GLN A 59 -0.615 1.112 -16.349 1.00 0.00 N ATOM 0 H GLN A 59 -2.012 1.062 -13.325 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.969 3.115 -13.939 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.996 0.559 -15.242 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.427 1.380 -15.833 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.242 3.084 -16.765 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.077 3.140 -15.457 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.561 1.158 -15.332 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.091 0.597 -16.875 1.00 0.00 H new ATOM 740 N THR A 60 -4.814 0.155 -12.787 1.00 0.00 N ATOM 741 CA THR A 60 -5.914 -0.614 -12.215 1.00 0.00 C ATOM 742 C THR A 60 -5.873 -0.573 -10.689 1.00 0.00 C ATOM 743 O THR A 60 -5.248 -1.422 -10.053 1.00 0.00 O ATOM 744 CB THR A 60 -5.855 -2.064 -12.699 1.00 0.00 C ATOM 745 OG1 THR A 60 -5.323 -2.133 -14.010 1.00 0.00 O ATOM 746 CG2 THR A 60 -7.206 -2.744 -12.714 1.00 0.00 C ATOM 0 H THR A 60 -3.904 -0.301 -12.725 1.00 0.00 H new ATOM 0 HA THR A 60 -6.850 -0.164 -12.547 1.00 0.00 H new ATOM 0 HB THR A 60 -5.214 -2.582 -11.986 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.292 -3.068 -14.301 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.093 -3.769 -13.067 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.621 -2.751 -11.706 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.878 -2.203 -13.380 1.00 0.00 H new ATOM 754 N PRO A 61 -6.544 0.420 -10.078 1.00 0.00 N ATOM 755 CA PRO A 61 -6.580 0.565 -8.619 1.00 0.00 C ATOM 756 C PRO A 61 -7.406 -0.527 -7.946 1.00 0.00 C ATOM 757 O PRO A 61 -8.399 -0.997 -8.501 1.00 0.00 O ATOM 758 CB PRO A 61 -7.236 1.932 -8.414 1.00 0.00 C ATOM 759 CG PRO A 61 -8.065 2.139 -9.634 1.00 0.00 C ATOM 760 CD PRO A 61 -7.319 1.476 -10.758 1.00 0.00 C ATOM 0 HA PRO A 61 -5.587 0.482 -8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.848 1.947 -7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.489 2.718 -8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.056 1.701 -9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.208 3.201 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.999 1.060 -11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.669 2.179 -11.279 1.00 0.00 H new ATOM 768 N LYS A 62 -6.990 -0.924 -6.749 1.00 0.00 N ATOM 769 CA LYS A 62 -7.690 -1.959 -5.999 1.00 0.00 C ATOM 770 C LYS A 62 -7.791 -1.585 -4.523 1.00 0.00 C ATOM 771 O LYS A 62 -7.071 -0.709 -4.044 1.00 0.00 O ATOM 772 CB LYS A 62 -6.975 -3.302 -6.148 1.00 0.00 C ATOM 773 CG LYS A 62 -7.923 -4.486 -6.273 1.00 0.00 C ATOM 774 CD LYS A 62 -7.690 -5.257 -7.563 1.00 0.00 C ATOM 775 CE LYS A 62 -8.994 -5.780 -8.144 1.00 0.00 C ATOM 776 NZ LYS A 62 -8.996 -5.739 -9.632 1.00 0.00 N ATOM 0 H LYS A 62 -6.170 -0.544 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.698 -2.047 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.333 -3.267 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.326 -3.456 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.788 -5.152 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.954 -4.132 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.200 -4.610 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.015 -6.091 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.155 -6.805 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.825 -5.186 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.902 -6.104 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.868 -4.758 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.219 -6.327 -9.997 1.00 0.00 H new ATOM 790 N VAL A 63 -8.687 -2.256 -3.809 1.00 0.00 N ATOM 791 CA VAL A 63 -8.881 -1.994 -2.387 1.00 0.00 C ATOM 792 C VAL A 63 -9.322 -3.254 -1.649 1.00 0.00 C ATOM 793 O VAL A 63 -10.022 -4.099 -2.207 1.00 0.00 O ATOM 794 CB VAL A 63 -9.926 -0.887 -2.158 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.971 -0.488 -0.691 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.629 0.318 -3.037 1.00 0.00 C ATOM 0 H VAL A 63 -9.290 -2.985 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.920 -1.664 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.906 -1.276 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.716 0.295 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.237 -1.355 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.993 -0.118 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.378 1.090 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.641 0.710 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.655 0.019 -4.085 1.00 0.00 H new ATOM 806 N CYS A 64 -8.909 -3.372 -0.391 1.00 0.00 N ATOM 807 CA CYS A 64 -9.263 -4.528 0.425 1.00 0.00 C ATOM 808 C CYS A 64 -10.406 -4.191 1.376 1.00 0.00 C ATOM 809 O CYS A 64 -10.324 -3.240 2.152 1.00 0.00 O ATOM 810 CB CYS A 64 -8.050 -5.010 1.223 1.00 0.00 C ATOM 811 SG CYS A 64 -7.026 -6.242 0.356 1.00 0.00 S ATOM 0 H CYS A 64 -8.329 -2.681 0.085 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.589 -5.325 -0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.429 -4.150 1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.395 -5.439 2.164 1.00 0.00 H new ATOM 816 N CYS A 65 -11.474 -4.980 1.309 1.00 0.00 N ATOM 817 CA CYS A 65 -12.637 -4.772 2.161 1.00 0.00 C ATOM 818 C CYS A 65 -12.976 -6.045 2.936 1.00 0.00 C ATOM 819 O CYS A 65 -13.329 -7.063 2.341 1.00 0.00 O ATOM 820 CB CYS A 65 -13.839 -4.341 1.317 1.00 0.00 C ATOM 821 SG CYS A 65 -14.138 -2.543 1.308 1.00 0.00 S ATOM 0 H CYS A 65 -11.557 -5.771 0.671 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.400 -3.984 2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.689 -4.678 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.731 -4.845 1.691 1.00 0.00 H new ATOM 826 N PRO A 66 -12.876 -6.009 4.277 1.00 0.00 N ATOM 827 CA PRO A 66 -13.178 -7.172 5.119 1.00 0.00 C ATOM 828 C PRO A 66 -14.628 -7.625 4.980 1.00 0.00 C ATOM 829 O PRO A 66 -14.909 -8.657 4.370 1.00 0.00 O ATOM 830 CB PRO A 66 -12.896 -6.684 6.545 1.00 0.00 C ATOM 831 CG PRO A 66 -12.911 -5.193 6.466 1.00 0.00 C ATOM 832 CD PRO A 66 -12.464 -4.840 5.076 1.00 0.00 C ATOM 0 HA PRO A 66 -12.581 -8.039 4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.652 -7.048 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.933 -7.049 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.909 -4.803 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.245 -4.757 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.938 -3.924 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.387 -4.680 5.029 1.00 0.00 H new TER 840 PRO A 66