USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 110:sc= 0.165 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= -0.969 (180deg=-2.96!) USER MOD Single : A 13 ASN : amide:sc= -0.082 K(o=-0.082,f=-0.72) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc=-0.00903 (180deg=-0.143) USER MOD Single : A 16 SER OG : rot -61:sc= 0.155 USER MOD Single : A 17 HIS : no HD1:sc= -0.984 K(o=-0.98,f=-4.8!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 21 SER OG : rot 180:sc= -0.23 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -118:sc= 0.0028 USER MOD Single : A 28 CYS SG : rot -15:sc= -1.82 USER MOD Single : A 30 ASN : amide:sc= -2.41! C(o=-2.4!,f=-5.3!) USER MOD Single : A 31 GLN : amide:sc= -0.0615 K(o=-0.062,f=-1.5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.28 X(o=-3.3,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot 12:sc= -0.266 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -58:sc= 0.377 USER MOD Single : A 48 SER OG : rot 98:sc= 0.284 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -2.69! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0358) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0753 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 40:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.026 19.790 -9.694 1.00 0.00 N ATOM 2 CA GLY A 1 5.014 19.418 -8.291 1.00 0.00 C ATOM 3 C GLY A 1 5.454 20.551 -7.386 1.00 0.00 C ATOM 4 O GLY A 1 6.569 21.058 -7.513 1.00 0.00 O ATOM 0 H1 GLY A 1 4.717 18.981 -10.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.380 20.590 -9.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.990 20.065 -9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.009 19.103 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.670 18.561 -8.140 1.00 0.00 H new ATOM 8 N SER A 2 4.577 20.951 -6.471 1.00 0.00 N ATOM 9 CA SER A 2 4.880 22.036 -5.545 1.00 0.00 C ATOM 10 C SER A 2 5.173 21.493 -4.150 1.00 0.00 C ATOM 11 O SER A 2 4.595 20.492 -3.726 1.00 0.00 O ATOM 12 CB SER A 2 3.713 23.023 -5.484 1.00 0.00 C ATOM 13 OG SER A 2 4.090 24.219 -4.826 1.00 0.00 O ATOM 0 H SER A 2 3.651 20.540 -6.351 1.00 0.00 H new ATOM 0 HA SER A 2 5.767 22.554 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.373 23.252 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.873 22.566 -4.961 1.00 0.00 H new ATOM 0 HG SER A 2 3.327 24.834 -4.802 1.00 0.00 H new ATOM 19 N SER A 3 6.077 22.160 -3.440 1.00 0.00 N ATOM 20 CA SER A 3 6.452 21.744 -2.094 1.00 0.00 C ATOM 21 C SER A 3 6.097 22.821 -1.073 1.00 0.00 C ATOM 22 O SER A 3 5.652 23.910 -1.433 1.00 0.00 O ATOM 23 CB SER A 3 7.950 21.439 -2.030 1.00 0.00 C ATOM 24 OG SER A 3 8.719 22.598 -2.301 1.00 0.00 O ATOM 0 H SER A 3 6.564 22.992 -3.775 1.00 0.00 H new ATOM 0 HA SER A 3 5.893 20.840 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.204 21.053 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.196 20.659 -2.750 1.00 0.00 H new ATOM 0 HG SER A 3 9.672 22.377 -2.252 1.00 0.00 H new ATOM 30 N GLY A 4 6.298 22.506 0.203 1.00 0.00 N ATOM 31 CA GLY A 4 5.994 23.456 1.257 1.00 0.00 C ATOM 32 C GLY A 4 4.935 22.942 2.214 1.00 0.00 C ATOM 33 O GLY A 4 3.759 23.280 2.088 1.00 0.00 O ATOM 0 H GLY A 4 6.666 21.611 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.904 23.680 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.654 24.391 0.812 1.00 0.00 H new ATOM 37 N SER A 5 5.355 22.122 3.172 1.00 0.00 N ATOM 38 CA SER A 5 4.434 21.556 4.151 1.00 0.00 C ATOM 39 C SER A 5 4.713 22.110 5.544 1.00 0.00 C ATOM 40 O SER A 5 5.485 21.535 6.310 1.00 0.00 O ATOM 41 CB SER A 5 4.546 20.030 4.164 1.00 0.00 C ATOM 42 OG SER A 5 3.602 19.457 5.052 1.00 0.00 O ATOM 0 H SER A 5 6.326 21.835 3.291 1.00 0.00 H new ATOM 0 HA SER A 5 3.420 21.837 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.386 19.642 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.553 19.739 4.462 1.00 0.00 H new ATOM 0 HG SER A 5 2.911 18.990 4.538 1.00 0.00 H new ATOM 48 N SER A 6 4.078 23.233 5.865 1.00 0.00 N ATOM 49 CA SER A 6 4.260 23.869 7.165 1.00 0.00 C ATOM 50 C SER A 6 3.291 23.293 8.192 1.00 0.00 C ATOM 51 O SER A 6 2.109 23.636 8.207 1.00 0.00 O ATOM 52 CB SER A 6 4.059 25.382 7.048 1.00 0.00 C ATOM 53 OG SER A 6 4.730 26.067 8.091 1.00 0.00 O ATOM 0 H SER A 6 3.433 23.721 5.243 1.00 0.00 H new ATOM 0 HA SER A 6 5.278 23.670 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.430 25.728 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.995 25.614 7.082 1.00 0.00 H new ATOM 0 HG SER A 6 4.588 27.032 7.993 1.00 0.00 H new ATOM 59 N GLY A 7 3.801 22.414 9.049 1.00 0.00 N ATOM 60 CA GLY A 7 2.968 21.803 10.069 1.00 0.00 C ATOM 61 C GLY A 7 2.060 20.727 9.507 1.00 0.00 C ATOM 62 O GLY A 7 0.851 20.746 9.732 1.00 0.00 O ATOM 0 H GLY A 7 4.776 22.114 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.603 21.371 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.362 22.572 10.548 1.00 0.00 H new ATOM 66 N ALA A 8 2.645 19.786 8.773 1.00 0.00 N ATOM 67 CA ALA A 8 1.881 18.696 8.178 1.00 0.00 C ATOM 68 C ALA A 8 0.553 19.197 7.620 1.00 0.00 C ATOM 69 O ALA A 8 -0.474 18.533 7.747 1.00 0.00 O ATOM 70 CB ALA A 8 1.644 17.598 9.203 1.00 0.00 C ATOM 0 H ALA A 8 3.645 19.757 8.576 1.00 0.00 H new ATOM 0 HA ALA A 8 2.461 18.287 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.072 16.790 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.602 17.212 9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.087 18.003 10.048 1.00 0.00 H new ATOM 76 N SER A 9 0.583 20.375 7.003 1.00 0.00 N ATOM 77 CA SER A 9 -0.620 20.967 6.429 1.00 0.00 C ATOM 78 C SER A 9 -1.012 20.258 5.137 1.00 0.00 C ATOM 79 O SER A 9 -2.131 19.761 5.003 1.00 0.00 O ATOM 80 CB SER A 9 -0.401 22.457 6.161 1.00 0.00 C ATOM 81 OG SER A 9 -1.580 23.062 5.657 1.00 0.00 O ATOM 0 H SER A 9 1.426 20.937 6.888 1.00 0.00 H new ATOM 0 HA SER A 9 -1.432 20.849 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.098 22.955 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.412 22.586 5.446 1.00 0.00 H new ATOM 0 HG SER A 9 -1.415 24.014 5.495 1.00 0.00 H new ATOM 87 N ILE A 10 -0.083 20.215 4.188 1.00 0.00 N ATOM 88 CA ILE A 10 -0.330 19.565 2.906 1.00 0.00 C ATOM 89 C ILE A 10 0.285 18.170 2.870 1.00 0.00 C ATOM 90 O ILE A 10 1.369 17.944 3.408 1.00 0.00 O ATOM 91 CB ILE A 10 0.234 20.394 1.737 1.00 0.00 C ATOM 92 CG1 ILE A 10 -0.347 21.809 1.760 1.00 0.00 C ATOM 93 CG2 ILE A 10 -0.069 19.713 0.411 1.00 0.00 C ATOM 94 CD1 ILE A 10 0.527 22.833 1.071 1.00 0.00 C ATOM 0 H ILE A 10 0.847 20.622 4.282 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.411 19.485 2.795 1.00 0.00 H new ATOM 0 HB ILE A 10 1.316 20.464 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.326 21.799 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.501 22.113 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.336 20.311 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.388 18.723 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.148 19.616 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.052 23.813 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.499 22.872 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.661 22.553 0.026 1.00 0.00 H new ATOM 106 N TYR A 11 -0.412 17.239 2.228 1.00 0.00 N ATOM 107 CA TYR A 11 0.064 15.866 2.120 1.00 0.00 C ATOM 108 C TYR A 11 0.713 15.410 3.424 1.00 0.00 C ATOM 109 O TYR A 11 1.793 14.819 3.422 1.00 0.00 O ATOM 110 CB TYR A 11 1.065 15.740 0.970 1.00 0.00 C ATOM 111 CG TYR A 11 0.422 15.403 -0.357 1.00 0.00 C ATOM 112 CD1 TYR A 11 -0.540 16.235 -0.917 1.00 0.00 C ATOM 113 CD2 TYR A 11 0.779 14.252 -1.051 1.00 0.00 C ATOM 114 CE1 TYR A 11 -1.129 15.929 -2.128 1.00 0.00 C ATOM 115 CE2 TYR A 11 0.194 13.940 -2.264 1.00 0.00 C ATOM 116 CZ TYR A 11 -0.759 14.782 -2.798 1.00 0.00 C ATOM 117 OH TYR A 11 -1.343 14.475 -4.006 1.00 0.00 O ATOM 0 H TYR A 11 -1.309 17.411 1.774 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.795 15.226 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.613 16.677 0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.795 14.969 1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.832 17.135 -0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.525 13.591 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.876 16.585 -2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.482 13.042 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.970 13.635 -4.346 1.00 0.00 H new ATOM 127 N LYS A 12 0.044 15.688 4.538 1.00 0.00 N ATOM 128 CA LYS A 12 0.551 15.307 5.851 1.00 0.00 C ATOM 129 C LYS A 12 1.083 13.878 5.834 1.00 0.00 C ATOM 130 O LYS A 12 0.533 13.009 5.158 1.00 0.00 O ATOM 131 CB LYS A 12 -0.552 15.440 6.904 1.00 0.00 C ATOM 132 CG LYS A 12 -1.748 14.541 6.649 1.00 0.00 C ATOM 133 CD LYS A 12 -3.010 15.097 7.288 1.00 0.00 C ATOM 134 CE LYS A 12 -3.008 14.893 8.796 1.00 0.00 C ATOM 135 NZ LYS A 12 -3.513 13.544 9.174 1.00 0.00 N ATOM 0 H LYS A 12 -0.851 16.176 4.558 1.00 0.00 H new ATOM 0 HA LYS A 12 1.371 15.978 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.136 15.208 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.888 16.476 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.900 14.432 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.547 13.545 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.094 16.160 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.883 14.610 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.996 15.022 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.626 15.657 9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.301 13.644 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.844 13.046 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.747 12.998 9.618 1.00 0.00 H new ATOM 149 N ASN A 13 2.154 13.641 6.584 1.00 0.00 N ATOM 150 CA ASN A 13 2.760 12.317 6.655 1.00 0.00 C ATOM 151 C ASN A 13 2.220 11.535 7.849 1.00 0.00 C ATOM 152 O ASN A 13 1.906 10.350 7.739 1.00 0.00 O ATOM 153 CB ASN A 13 4.283 12.433 6.756 1.00 0.00 C ATOM 154 CG ASN A 13 4.949 12.486 5.395 1.00 0.00 C ATOM 155 OD1 ASN A 13 4.577 11.750 4.480 1.00 0.00 O ATOM 156 ND2 ASN A 13 5.940 13.357 5.255 1.00 0.00 N ATOM 0 H ASN A 13 2.620 14.349 7.151 1.00 0.00 H new ATOM 0 HA ASN A 13 2.503 11.779 5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.540 13.330 7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.673 11.583 7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.427 13.436 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.215 13.947 6.040 1.00 0.00 H new ATOM 163 N LYS A 14 2.113 12.208 8.990 1.00 0.00 N ATOM 164 CA LYS A 14 1.608 11.578 10.205 1.00 0.00 C ATOM 165 C LYS A 14 0.088 11.460 10.165 1.00 0.00 C ATOM 166 O LYS A 14 -0.597 12.304 9.587 1.00 0.00 O ATOM 167 CB LYS A 14 2.035 12.383 11.435 1.00 0.00 C ATOM 168 CG LYS A 14 1.386 13.754 11.521 1.00 0.00 C ATOM 169 CD LYS A 14 1.870 14.524 12.738 1.00 0.00 C ATOM 170 CE LYS A 14 0.914 15.650 13.101 1.00 0.00 C ATOM 171 NZ LYS A 14 1.246 16.256 14.421 1.00 0.00 N ATOM 0 H LYS A 14 2.369 13.189 9.099 1.00 0.00 H new ATOM 0 HA LYS A 14 2.031 10.575 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.788 11.817 12.333 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.118 12.503 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.610 14.321 10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.303 13.643 11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.971 13.844 13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.860 14.935 12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.949 16.419 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.106 15.267 13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.572 17.019 14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.188 15.528 15.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.210 16.644 14.392 1.00 0.00 H new ATOM 185 N LYS A 15 -0.435 10.406 10.784 1.00 0.00 N ATOM 186 CA LYS A 15 -1.874 10.178 10.823 1.00 0.00 C ATOM 187 C LYS A 15 -2.269 9.401 12.074 1.00 0.00 C ATOM 188 O LYS A 15 -1.585 8.458 12.473 1.00 0.00 O ATOM 189 CB LYS A 15 -2.324 9.415 9.574 1.00 0.00 C ATOM 190 CG LYS A 15 -2.515 10.302 8.356 1.00 0.00 C ATOM 191 CD LYS A 15 -3.536 9.716 7.393 1.00 0.00 C ATOM 192 CE LYS A 15 -3.643 10.542 6.122 1.00 0.00 C ATOM 193 NZ LYS A 15 -2.410 10.444 5.292 1.00 0.00 N ATOM 0 H LYS A 15 0.117 9.696 11.265 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.369 11.149 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.586 8.647 9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.261 8.902 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.840 11.293 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.561 10.428 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.254 8.694 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.510 9.668 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.500 10.204 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.825 11.585 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.592 10.847 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.640 10.971 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.136 9.446 5.194 1.00 0.00 H new ATOM 207 N SER A 16 -3.376 9.803 12.690 1.00 0.00 N ATOM 208 CA SER A 16 -3.859 9.146 13.899 1.00 0.00 C ATOM 209 C SER A 16 -4.181 7.679 13.628 1.00 0.00 C ATOM 210 O SER A 16 -5.136 7.361 12.920 1.00 0.00 O ATOM 211 CB SER A 16 -5.102 9.862 14.431 1.00 0.00 C ATOM 212 OG SER A 16 -5.247 9.664 15.827 1.00 0.00 O ATOM 0 H SER A 16 -3.955 10.580 12.372 1.00 0.00 H new ATOM 0 HA SER A 16 -3.070 9.195 14.650 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.030 10.928 14.217 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.988 9.492 13.914 1.00 0.00 H new ATOM 0 HG SER A 16 -5.357 8.708 16.012 1.00 0.00 H new ATOM 218 N HIS A 17 -3.375 6.789 14.198 1.00 0.00 N ATOM 219 CA HIS A 17 -3.571 5.355 14.020 1.00 0.00 C ATOM 220 C HIS A 17 -5.053 4.996 14.099 1.00 0.00 C ATOM 221 O HIS A 17 -5.561 4.235 13.277 1.00 0.00 O ATOM 222 CB HIS A 17 -2.789 4.576 15.077 1.00 0.00 C ATOM 223 CG HIS A 17 -2.939 5.127 16.462 1.00 0.00 C ATOM 224 ND1 HIS A 17 -2.262 6.245 16.904 1.00 0.00 N ATOM 225 CD2 HIS A 17 -3.695 4.710 17.503 1.00 0.00 C ATOM 226 CE1 HIS A 17 -2.594 6.490 18.158 1.00 0.00 C ATOM 227 NE2 HIS A 17 -3.462 5.574 18.546 1.00 0.00 N ATOM 0 H HIS A 17 -2.580 7.036 14.787 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.200 5.083 13.032 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.121 3.538 15.070 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.733 4.575 14.808 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.358 3.857 17.513 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.219 7.302 18.764 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.890 5.517 19.470 1.00 0.00 H new ATOM 236 N GLU A 18 -5.738 5.550 15.095 1.00 0.00 N ATOM 237 CA GLU A 18 -7.161 5.286 15.282 1.00 0.00 C ATOM 238 C GLU A 18 -7.873 5.174 13.938 1.00 0.00 C ATOM 239 O GLU A 18 -8.706 4.290 13.738 1.00 0.00 O ATOM 240 CB GLU A 18 -7.801 6.392 16.123 1.00 0.00 C ATOM 241 CG GLU A 18 -7.740 6.133 17.618 1.00 0.00 C ATOM 242 CD GLU A 18 -6.375 6.434 18.207 1.00 0.00 C ATOM 243 OE1 GLU A 18 -5.641 7.255 17.617 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.042 5.850 19.259 1.00 0.00 O ATOM 0 H GLU A 18 -5.332 6.183 15.784 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.264 4.337 15.807 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.302 7.336 15.906 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.843 6.506 15.825 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.491 6.744 18.120 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.994 5.091 17.813 1.00 0.00 H new ATOM 251 N GLN A 19 -7.543 6.078 13.022 1.00 0.00 N ATOM 252 CA GLN A 19 -8.153 6.083 11.698 1.00 0.00 C ATOM 253 C GLN A 19 -7.562 4.983 10.822 1.00 0.00 C ATOM 254 O GLN A 19 -8.291 4.240 10.164 1.00 0.00 O ATOM 255 CB GLN A 19 -7.958 7.444 11.028 1.00 0.00 C ATOM 256 CG GLN A 19 -9.039 8.454 11.377 1.00 0.00 C ATOM 257 CD GLN A 19 -8.531 9.883 11.355 1.00 0.00 C ATOM 258 OE1 GLN A 19 -7.775 10.299 12.232 1.00 0.00 O ATOM 259 NE2 GLN A 19 -8.947 10.643 10.348 1.00 0.00 N ATOM 0 H GLN A 19 -6.856 6.817 13.172 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.220 5.894 11.817 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.988 7.847 11.319 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.935 7.308 9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.865 8.355 10.672 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.436 8.229 12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.574 10.256 9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.639 11.613 10.280 1.00 0.00 H new ATOM 268 N LEU A 20 -6.237 4.883 10.820 1.00 0.00 N ATOM 269 CA LEU A 20 -5.547 3.874 10.024 1.00 0.00 C ATOM 270 C LEU A 20 -6.213 2.510 10.180 1.00 0.00 C ATOM 271 O LEU A 20 -6.727 1.946 9.215 1.00 0.00 O ATOM 272 CB LEU A 20 -4.077 3.787 10.439 1.00 0.00 C ATOM 273 CG LEU A 20 -3.102 3.319 9.358 1.00 0.00 C ATOM 274 CD1 LEU A 20 -3.619 2.058 8.683 1.00 0.00 C ATOM 275 CD2 LEU A 20 -2.872 4.420 8.334 1.00 0.00 C ATOM 0 H LEU A 20 -5.619 5.488 11.361 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.606 4.169 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.759 4.770 10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.999 3.109 11.289 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.148 3.087 9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.912 1.740 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.730 1.267 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.586 2.262 8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.176 4.069 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.820 4.684 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.456 5.297 8.830 1.00 0.00 H new ATOM 287 N SER A 21 -6.200 1.988 11.402 1.00 0.00 N ATOM 288 CA SER A 21 -6.801 0.689 11.685 1.00 0.00 C ATOM 289 C SER A 21 -8.174 0.572 11.028 1.00 0.00 C ATOM 290 O SER A 21 -8.454 -0.394 10.319 1.00 0.00 O ATOM 291 CB SER A 21 -6.925 0.479 13.194 1.00 0.00 C ATOM 292 OG SER A 21 -7.813 1.421 13.770 1.00 0.00 O ATOM 0 H SER A 21 -5.780 2.444 12.212 1.00 0.00 H new ATOM 0 HA SER A 21 -6.152 -0.083 11.271 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.281 -0.531 13.395 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.943 0.569 13.659 1.00 0.00 H new ATOM 0 HG SER A 21 -7.876 1.264 14.735 1.00 0.00 H new ATOM 298 N ALA A 22 -9.025 1.563 11.271 1.00 0.00 N ATOM 299 CA ALA A 22 -10.368 1.573 10.704 1.00 0.00 C ATOM 300 C ALA A 22 -10.333 1.274 9.208 1.00 0.00 C ATOM 301 O ALA A 22 -10.978 0.335 8.738 1.00 0.00 O ATOM 302 CB ALA A 22 -11.039 2.914 10.960 1.00 0.00 C ATOM 0 H ALA A 22 -8.808 2.369 11.857 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.948 0.790 11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.041 2.907 10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.105 3.089 12.034 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.452 3.708 10.499 1.00 0.00 H new ATOM 308 N LEU A 23 -9.580 2.077 8.466 1.00 0.00 N ATOM 309 CA LEU A 23 -9.462 1.898 7.023 1.00 0.00 C ATOM 310 C LEU A 23 -9.044 0.471 6.683 1.00 0.00 C ATOM 311 O LEU A 23 -9.696 -0.205 5.888 1.00 0.00 O ATOM 312 CB LEU A 23 -8.450 2.889 6.447 1.00 0.00 C ATOM 313 CG LEU A 23 -8.889 4.354 6.413 1.00 0.00 C ATOM 314 CD1 LEU A 23 -7.772 5.233 5.872 1.00 0.00 C ATOM 315 CD2 LEU A 23 -10.149 4.514 5.575 1.00 0.00 C ATOM 0 H LEU A 23 -9.042 2.859 8.839 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.439 2.086 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.531 2.819 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.207 2.580 5.430 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.112 4.670 7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.102 6.272 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.895 5.142 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.518 4.917 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.447 5.562 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.953 4.180 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.951 3.914 6.006 1.00 0.00 H new ATOM 327 N LYS A 24 -7.954 0.019 7.293 1.00 0.00 N ATOM 328 CA LYS A 24 -7.449 -1.329 7.059 1.00 0.00 C ATOM 329 C LYS A 24 -8.559 -2.361 7.220 1.00 0.00 C ATOM 330 O LYS A 24 -8.782 -3.191 6.340 1.00 0.00 O ATOM 331 CB LYS A 24 -6.302 -1.642 8.023 1.00 0.00 C ATOM 332 CG LYS A 24 -4.956 -1.113 7.560 1.00 0.00 C ATOM 333 CD LYS A 24 -3.809 -1.890 8.183 1.00 0.00 C ATOM 334 CE LYS A 24 -3.491 -1.389 9.584 1.00 0.00 C ATOM 335 NZ LYS A 24 -2.950 -2.473 10.450 1.00 0.00 N ATOM 0 H LYS A 24 -7.403 0.567 7.954 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.077 -1.378 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.533 -1.217 9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.233 -2.722 8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.893 -1.177 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.868 -0.059 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.065 -2.949 8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.923 -1.800 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.767 -0.577 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.394 -0.979 10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.746 -2.092 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.651 -3.237 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.075 -2.848 10.031 1.00 0.00 H new ATOM 349 N GLY A 25 -9.255 -2.304 8.353 1.00 0.00 N ATOM 350 CA GLY A 25 -10.335 -3.239 8.608 1.00 0.00 C ATOM 351 C GLY A 25 -11.095 -3.606 7.348 1.00 0.00 C ATOM 352 O GLY A 25 -11.478 -4.760 7.161 1.00 0.00 O ATOM 0 H GLY A 25 -9.090 -1.627 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.929 -4.144 9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.025 -2.804 9.331 1.00 0.00 H new ATOM 356 N SER A 26 -11.313 -2.620 6.483 1.00 0.00 N ATOM 357 CA SER A 26 -12.037 -2.845 5.237 1.00 0.00 C ATOM 358 C SER A 26 -11.140 -3.513 4.201 1.00 0.00 C ATOM 359 O SER A 26 -11.524 -4.501 3.575 1.00 0.00 O ATOM 360 CB SER A 26 -12.571 -1.520 4.688 1.00 0.00 C ATOM 361 OG SER A 26 -13.060 -1.676 3.368 1.00 0.00 O ATOM 0 H SER A 26 -10.999 -1.659 6.622 1.00 0.00 H new ATOM 0 HA SER A 26 -12.876 -3.508 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.368 -1.150 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.778 -0.772 4.700 1.00 0.00 H new ATOM 0 HG SER A 26 -12.540 -1.112 2.758 1.00 0.00 H new ATOM 367 N PHE A 27 -9.942 -2.967 4.024 1.00 0.00 N ATOM 368 CA PHE A 27 -8.988 -3.509 3.062 1.00 0.00 C ATOM 369 C PHE A 27 -8.629 -4.951 3.408 1.00 0.00 C ATOM 370 O PHE A 27 -8.807 -5.858 2.593 1.00 0.00 O ATOM 371 CB PHE A 27 -7.723 -2.650 3.028 1.00 0.00 C ATOM 372 CG PHE A 27 -6.737 -3.077 1.978 1.00 0.00 C ATOM 373 CD1 PHE A 27 -6.029 -4.261 2.114 1.00 0.00 C ATOM 374 CD2 PHE A 27 -6.518 -2.295 0.856 1.00 0.00 C ATOM 375 CE1 PHE A 27 -5.122 -4.657 1.149 1.00 0.00 C ATOM 376 CE2 PHE A 27 -5.612 -2.686 -0.112 1.00 0.00 C ATOM 377 CZ PHE A 27 -4.913 -3.868 0.035 1.00 0.00 C ATOM 0 H PHE A 27 -9.608 -2.149 4.534 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.454 -3.495 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.003 -1.612 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.241 -2.688 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.188 -4.881 2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.061 -1.369 0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.577 -5.582 1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.451 -2.068 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.204 -4.175 -0.720 1.00 0.00 H new ATOM 387 N CYS A 28 -8.121 -5.155 4.617 1.00 0.00 N ATOM 388 CA CYS A 28 -7.734 -6.487 5.070 1.00 0.00 C ATOM 389 C CYS A 28 -8.789 -7.519 4.685 1.00 0.00 C ATOM 390 O CYS A 28 -8.462 -8.653 4.334 1.00 0.00 O ATOM 391 CB CYS A 28 -7.527 -6.493 6.586 1.00 0.00 C ATOM 392 SG CYS A 28 -9.019 -6.120 7.536 1.00 0.00 S ATOM 0 H CYS A 28 -7.967 -4.415 5.302 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.796 -6.752 4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.153 -7.472 6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.756 -5.765 6.840 1.00 0.00 H new ATOM 0 HG CYS A 28 -9.915 -5.600 6.751 1.00 0.00 H new ATOM 398 N ARG A 29 -10.054 -7.120 4.755 1.00 0.00 N ATOM 399 CA ARG A 29 -11.157 -8.011 4.416 1.00 0.00 C ATOM 400 C ARG A 29 -11.345 -8.093 2.905 1.00 0.00 C ATOM 401 O ARG A 29 -11.137 -9.144 2.299 1.00 0.00 O ATOM 402 CB ARG A 29 -12.450 -7.530 5.078 1.00 0.00 C ATOM 403 CG ARG A 29 -12.477 -7.734 6.583 1.00 0.00 C ATOM 404 CD ARG A 29 -13.891 -7.628 7.134 1.00 0.00 C ATOM 405 NE ARG A 29 -14.714 -8.773 6.752 1.00 0.00 N ATOM 406 CZ ARG A 29 -16.022 -8.844 6.973 1.00 0.00 C ATOM 407 NH1 ARG A 29 -16.652 -7.842 7.568 1.00 0.00 N ATOM 408 NH2 ARG A 29 -16.702 -9.919 6.595 1.00 0.00 N ATOM 0 H ARG A 29 -10.341 -6.185 5.044 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.915 -9.007 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.587 -6.471 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.294 -8.058 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.063 -8.713 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.841 -6.990 7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.852 -7.556 8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.354 -6.711 6.770 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.260 -9.561 6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.133 -7.013 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.656 -7.899 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.220 -10.691 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.706 -9.973 6.765 1.00 0.00 H new ATOM 422 N ASN A 30 -11.740 -6.977 2.301 1.00 0.00 N ATOM 423 CA ASN A 30 -11.958 -6.923 0.860 1.00 0.00 C ATOM 424 C ASN A 30 -10.898 -6.059 0.182 1.00 0.00 C ATOM 425 O ASN A 30 -10.315 -5.172 0.806 1.00 0.00 O ATOM 426 CB ASN A 30 -13.353 -6.373 0.555 1.00 0.00 C ATOM 427 CG ASN A 30 -13.492 -4.910 0.927 1.00 0.00 C ATOM 428 OD1 ASN A 30 -12.559 -4.124 0.763 1.00 0.00 O ATOM 429 ND2 ASN A 30 -14.663 -4.537 1.433 1.00 0.00 N ATOM 0 H ASN A 30 -11.916 -6.098 2.787 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.881 -7.937 0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.565 -6.497 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.097 -6.955 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.816 -3.565 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.409 -5.222 1.552 1.00 0.00 H new ATOM 436 N GLN A 31 -10.657 -6.324 -1.098 1.00 0.00 N ATOM 437 CA GLN A 31 -9.668 -5.570 -1.860 1.00 0.00 C ATOM 438 C GLN A 31 -10.029 -4.090 -1.906 1.00 0.00 C ATOM 439 O GLN A 31 -9.195 -3.228 -1.624 1.00 0.00 O ATOM 440 CB GLN A 31 -9.559 -6.125 -3.281 1.00 0.00 C ATOM 441 CG GLN A 31 -8.676 -7.358 -3.387 1.00 0.00 C ATOM 442 CD GLN A 31 -8.858 -8.094 -4.700 1.00 0.00 C ATOM 443 OE1 GLN A 31 -9.860 -7.917 -5.391 1.00 0.00 O ATOM 444 NE2 GLN A 31 -7.885 -8.927 -5.051 1.00 0.00 N ATOM 0 H GLN A 31 -11.132 -7.054 -1.629 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.704 -5.674 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.557 -6.371 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.164 -5.348 -3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.632 -7.063 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.901 -8.034 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.071 -9.044 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.952 -9.450 -5.924 1.00 0.00 H new ATOM 453 N PHE A 32 -11.276 -3.800 -2.262 1.00 0.00 N ATOM 454 CA PHE A 32 -11.747 -2.422 -2.346 1.00 0.00 C ATOM 455 C PHE A 32 -13.184 -2.307 -1.845 1.00 0.00 C ATOM 456 O PHE A 32 -14.009 -3.200 -2.041 1.00 0.00 O ATOM 457 CB PHE A 32 -11.655 -1.916 -3.787 1.00 0.00 C ATOM 458 CG PHE A 32 -12.517 -2.682 -4.748 1.00 0.00 C ATOM 459 CD1 PHE A 32 -12.194 -3.981 -5.106 1.00 0.00 C ATOM 460 CD2 PHE A 32 -13.652 -2.104 -5.294 1.00 0.00 C ATOM 461 CE1 PHE A 32 -12.985 -4.689 -5.990 1.00 0.00 C ATOM 462 CE2 PHE A 32 -14.448 -2.807 -6.179 1.00 0.00 C ATOM 463 CZ PHE A 32 -14.114 -4.101 -6.527 1.00 0.00 C ATOM 0 H PHE A 32 -11.979 -4.501 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.109 -1.807 -1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.941 -0.865 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.618 -1.972 -4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.313 -4.446 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -13.918 -1.092 -5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.721 -5.701 -6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -15.330 -2.345 -6.598 1.00 0.00 H new ATOM 0 HZ PHE A 32 -14.734 -4.652 -7.218 1.00 0.00 H new ATOM 473 N PRO A 33 -13.491 -1.182 -1.182 1.00 0.00 N ATOM 474 CA PRO A 33 -14.829 -0.923 -0.641 1.00 0.00 C ATOM 475 C PRO A 33 -15.860 -0.677 -1.736 1.00 0.00 C ATOM 476 O PRO A 33 -15.518 -0.565 -2.913 1.00 0.00 O ATOM 477 CB PRO A 33 -14.631 0.340 0.202 1.00 0.00 C ATOM 478 CG PRO A 33 -13.454 1.019 -0.405 1.00 0.00 C ATOM 479 CD PRO A 33 -12.557 -0.077 -0.912 1.00 0.00 C ATOM 0 HA PRO A 33 -15.213 -1.773 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.514 0.978 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.450 0.093 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.760 1.679 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.938 1.636 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.021 0.226 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.806 -0.356 -0.173 1.00 0.00 H new ATOM 487 N GLY A 34 -17.128 -0.591 -1.341 1.00 0.00 N ATOM 488 CA GLY A 34 -18.189 -0.356 -2.302 1.00 0.00 C ATOM 489 C GLY A 34 -18.882 0.974 -2.088 1.00 0.00 C ATOM 490 O GLY A 34 -18.228 2.014 -2.007 1.00 0.00 O ATOM 0 H GLY A 34 -17.438 -0.680 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.775 -0.388 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.922 -1.159 -2.232 1.00 0.00 H new ATOM 494 N GLN A 35 -20.207 0.943 -2.000 1.00 0.00 N ATOM 495 CA GLN A 35 -20.988 2.157 -1.797 1.00 0.00 C ATOM 496 C GLN A 35 -21.219 2.416 -0.312 1.00 0.00 C ATOM 497 O GLN A 35 -20.908 3.492 0.196 1.00 0.00 O ATOM 498 CB GLN A 35 -22.331 2.054 -2.523 1.00 0.00 C ATOM 499 CG GLN A 35 -22.268 2.472 -3.983 1.00 0.00 C ATOM 500 CD GLN A 35 -23.641 2.688 -4.588 1.00 0.00 C ATOM 501 OE1 GLN A 35 -24.201 3.782 -4.512 1.00 0.00 O ATOM 502 NE2 GLN A 35 -24.192 1.642 -5.194 1.00 0.00 N ATOM 0 H GLN A 35 -20.763 0.090 -2.066 1.00 0.00 H new ATOM 0 HA GLN A 35 -20.423 2.993 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -22.689 1.026 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -23.062 2.676 -2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -21.689 3.391 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -21.740 1.708 -4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -23.692 0.754 -5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -25.115 1.727 -5.620 1.00 0.00 H new ATOM 511 N SER A 36 -21.764 1.420 0.378 1.00 0.00 N ATOM 512 CA SER A 36 -22.040 1.540 1.806 1.00 0.00 C ATOM 513 C SER A 36 -20.743 1.639 2.603 1.00 0.00 C ATOM 514 O SER A 36 -20.590 2.517 3.452 1.00 0.00 O ATOM 515 CB SER A 36 -22.861 0.344 2.291 1.00 0.00 C ATOM 516 OG SER A 36 -23.605 0.673 3.451 1.00 0.00 O ATOM 0 H SER A 36 -22.023 0.521 -0.028 1.00 0.00 H new ATOM 0 HA SER A 36 -22.614 2.453 1.965 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.538 0.019 1.501 1.00 0.00 H new ATOM 0 HB3 SER A 36 -22.197 -0.493 2.506 1.00 0.00 H new ATOM 0 HG SER A 36 -24.122 -0.107 3.740 1.00 0.00 H new ATOM 522 N GLU A 37 -19.813 0.731 2.323 1.00 0.00 N ATOM 523 CA GLU A 37 -18.530 0.714 3.014 1.00 0.00 C ATOM 524 C GLU A 37 -17.952 2.123 3.122 1.00 0.00 C ATOM 525 O GLU A 37 -17.704 2.622 4.220 1.00 0.00 O ATOM 526 CB GLU A 37 -17.543 -0.198 2.283 1.00 0.00 C ATOM 527 CG GLU A 37 -16.507 -0.830 3.197 1.00 0.00 C ATOM 528 CD GLU A 37 -17.109 -1.357 4.486 1.00 0.00 C ATOM 529 OE1 GLU A 37 -17.818 -2.384 4.432 1.00 0.00 O ATOM 530 OE2 GLU A 37 -16.872 -0.743 5.547 1.00 0.00 O ATOM 0 H GLU A 37 -19.925 -0.002 1.623 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.694 0.328 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.098 -0.987 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.032 0.378 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.014 -1.647 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.739 -0.093 3.434 1.00 0.00 H new ATOM 537 N VAL A 38 -17.741 2.759 1.975 1.00 0.00 N ATOM 538 CA VAL A 38 -17.192 4.110 1.939 1.00 0.00 C ATOM 539 C VAL A 38 -17.994 5.052 2.831 1.00 0.00 C ATOM 540 O VAL A 38 -17.465 5.618 3.786 1.00 0.00 O ATOM 541 CB VAL A 38 -17.174 4.671 0.505 1.00 0.00 C ATOM 542 CG1 VAL A 38 -16.609 6.083 0.490 1.00 0.00 C ATOM 543 CG2 VAL A 38 -16.374 3.758 -0.413 1.00 0.00 C ATOM 0 H VAL A 38 -17.942 2.361 1.058 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.169 4.046 2.309 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.199 4.712 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.604 6.462 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.227 6.729 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.590 6.071 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.371 4.169 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.349 3.683 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.828 2.767 -0.426 1.00 0.00 H new ATOM 553 N GLU A 39 -19.275 5.214 2.511 1.00 0.00 N ATOM 554 CA GLU A 39 -20.149 6.088 3.283 1.00 0.00 C ATOM 555 C GLU A 39 -19.806 6.027 4.768 1.00 0.00 C ATOM 556 O GLU A 39 -19.874 7.033 5.476 1.00 0.00 O ATOM 557 CB GLU A 39 -21.613 5.698 3.070 1.00 0.00 C ATOM 558 CG GLU A 39 -22.221 6.280 1.805 1.00 0.00 C ATOM 559 CD GLU A 39 -22.751 7.686 2.005 1.00 0.00 C ATOM 560 OE1 GLU A 39 -23.227 7.987 3.119 1.00 0.00 O ATOM 561 OE2 GLU A 39 -22.691 8.486 1.047 1.00 0.00 O ATOM 0 H GLU A 39 -19.729 4.752 1.723 1.00 0.00 H new ATOM 0 HA GLU A 39 -19.998 7.110 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -21.689 4.611 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -22.197 6.029 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -21.469 6.288 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -23.032 5.635 1.466 1.00 0.00 H new ATOM 568 N HIS A 40 -19.437 4.838 5.236 1.00 0.00 N ATOM 569 CA HIS A 40 -19.082 4.644 6.638 1.00 0.00 C ATOM 570 C HIS A 40 -17.706 5.230 6.936 1.00 0.00 C ATOM 571 O HIS A 40 -17.560 6.083 7.813 1.00 0.00 O ATOM 572 CB HIS A 40 -19.104 3.157 6.990 1.00 0.00 C ATOM 573 CG HIS A 40 -18.585 2.858 8.362 1.00 0.00 C ATOM 574 ND1 HIS A 40 -19.063 3.474 9.499 1.00 0.00 N ATOM 575 CD2 HIS A 40 -17.622 2.002 8.778 1.00 0.00 C ATOM 576 CE1 HIS A 40 -18.417 3.011 10.554 1.00 0.00 C ATOM 577 NE2 HIS A 40 -17.538 2.116 10.144 1.00 0.00 N ATOM 0 H HIS A 40 -19.376 3.995 4.665 1.00 0.00 H new ATOM 0 HA HIS A 40 -19.819 5.165 7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -20.127 2.788 6.909 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -18.509 2.610 6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -17.030 1.351 8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.580 3.313 11.578 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.900 1.594 10.744 1.00 0.00 H new ATOM 586 N LEU A 41 -16.700 4.767 6.203 1.00 0.00 N ATOM 587 CA LEU A 41 -15.334 5.244 6.389 1.00 0.00 C ATOM 588 C LEU A 41 -15.278 6.768 6.337 1.00 0.00 C ATOM 589 O LEU A 41 -14.688 7.409 7.208 1.00 0.00 O ATOM 590 CB LEU A 41 -14.416 4.652 5.318 1.00 0.00 C ATOM 591 CG LEU A 41 -14.230 3.135 5.358 1.00 0.00 C ATOM 592 CD1 LEU A 41 -13.508 2.653 4.109 1.00 0.00 C ATOM 593 CD2 LEU A 41 -13.470 2.722 6.609 1.00 0.00 C ATOM 0 H LEU A 41 -16.804 4.061 5.474 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.992 4.919 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.810 4.924 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -13.436 5.121 5.408 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.215 2.669 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.384 1.571 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.093 2.914 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.529 3.128 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.348 1.639 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.489 3.198 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.028 3.033 7.493 1.00 0.00 H new ATOM 605 N THR A 42 -15.898 7.343 5.311 1.00 0.00 N ATOM 606 CA THR A 42 -15.919 8.791 5.146 1.00 0.00 C ATOM 607 C THR A 42 -16.211 9.491 6.469 1.00 0.00 C ATOM 608 O THR A 42 -15.716 10.587 6.727 1.00 0.00 O ATOM 609 CB THR A 42 -16.970 9.223 4.106 1.00 0.00 C ATOM 610 OG1 THR A 42 -18.213 8.558 4.362 1.00 0.00 O ATOM 611 CG2 THR A 42 -16.499 8.904 2.696 1.00 0.00 C ATOM 0 H THR A 42 -16.392 6.828 4.582 1.00 0.00 H new ATOM 0 HA THR A 42 -14.930 9.083 4.794 1.00 0.00 H new ATOM 0 HB THR A 42 -17.111 10.301 4.189 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.177 8.125 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 42 -17.258 9.218 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 42 -15.568 9.434 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.333 7.831 2.602 1.00 0.00 H new ATOM 619 N LYS A 43 -17.021 8.850 7.305 1.00 0.00 N ATOM 620 CA LYS A 43 -17.379 9.409 8.604 1.00 0.00 C ATOM 621 C LYS A 43 -16.419 8.928 9.687 1.00 0.00 C ATOM 622 O LYS A 43 -16.115 9.659 10.629 1.00 0.00 O ATOM 623 CB LYS A 43 -18.814 9.022 8.971 1.00 0.00 C ATOM 624 CG LYS A 43 -19.862 9.640 8.061 1.00 0.00 C ATOM 625 CD LYS A 43 -21.270 9.328 8.541 1.00 0.00 C ATOM 626 CE LYS A 43 -21.689 10.250 9.676 1.00 0.00 C ATOM 627 NZ LYS A 43 -22.237 11.539 9.169 1.00 0.00 N ATOM 0 H LYS A 43 -17.442 7.943 7.106 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.308 10.495 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.909 7.937 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.012 9.326 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.721 10.720 8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.731 9.265 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.969 9.430 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.320 8.292 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.440 9.752 10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.831 10.448 10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.511 12.140 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.512 12.026 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.071 11.352 8.576 1.00 0.00 H new ATOM 641 N VAL A 44 -15.943 7.695 9.545 1.00 0.00 N ATOM 642 CA VAL A 44 -15.015 7.118 10.510 1.00 0.00 C ATOM 643 C VAL A 44 -13.654 7.803 10.441 1.00 0.00 C ATOM 644 O VAL A 44 -12.842 7.690 11.359 1.00 0.00 O ATOM 645 CB VAL A 44 -14.830 5.607 10.277 1.00 0.00 C ATOM 646 CG1 VAL A 44 -14.200 4.952 11.495 1.00 0.00 C ATOM 647 CG2 VAL A 44 -16.161 4.954 9.939 1.00 0.00 C ATOM 0 H VAL A 44 -16.185 7.077 8.771 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.448 7.275 11.498 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.157 5.467 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.077 3.885 11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.226 5.402 11.687 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.845 5.099 12.362 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -16.012 3.886 9.777 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.859 5.102 10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -16.568 5.405 9.034 1.00 0.00 H new ATOM 657 N THR A 45 -13.410 8.514 9.344 1.00 0.00 N ATOM 658 CA THR A 45 -12.148 9.216 9.153 1.00 0.00 C ATOM 659 C THR A 45 -12.381 10.685 8.818 1.00 0.00 C ATOM 660 O THR A 45 -11.542 11.538 9.105 1.00 0.00 O ATOM 661 CB THR A 45 -11.310 8.572 8.032 1.00 0.00 C ATOM 662 OG1 THR A 45 -11.980 8.717 6.776 1.00 0.00 O ATOM 663 CG2 THR A 45 -11.069 7.097 8.317 1.00 0.00 C ATOM 0 H THR A 45 -14.071 8.618 8.574 1.00 0.00 H new ATOM 0 HA THR A 45 -11.601 9.143 10.093 1.00 0.00 H new ATOM 0 HB THR A 45 -10.347 9.080 7.990 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.865 8.300 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.475 6.663 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.533 6.991 9.260 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.025 6.578 8.383 1.00 0.00 H new ATOM 671 N GLY A 46 -13.526 10.973 8.207 1.00 0.00 N ATOM 672 CA GLY A 46 -13.849 12.340 7.842 1.00 0.00 C ATOM 673 C GLY A 46 -13.272 12.733 6.497 1.00 0.00 C ATOM 674 O GLY A 46 -13.789 13.630 5.830 1.00 0.00 O ATOM 0 H GLY A 46 -14.236 10.284 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.932 12.460 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.470 13.016 8.608 1.00 0.00 H new ATOM 678 N LEU A 47 -12.197 12.063 6.097 1.00 0.00 N ATOM 679 CA LEU A 47 -11.548 12.348 4.823 1.00 0.00 C ATOM 680 C LEU A 47 -12.548 12.272 3.673 1.00 0.00 C ATOM 681 O LEU A 47 -13.498 11.492 3.714 1.00 0.00 O ATOM 682 CB LEU A 47 -10.400 11.366 4.581 1.00 0.00 C ATOM 683 CG LEU A 47 -9.344 11.284 5.684 1.00 0.00 C ATOM 684 CD1 LEU A 47 -8.611 9.953 5.623 1.00 0.00 C ATOM 685 CD2 LEU A 47 -8.362 12.440 5.569 1.00 0.00 C ATOM 0 H LEU A 47 -11.756 11.318 6.637 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.148 13.361 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.823 10.372 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.904 11.640 3.650 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.847 11.355 6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.863 9.913 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.324 9.139 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.120 9.852 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.618 12.365 6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.865 12.400 4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.899 13.384 5.663 1.00 0.00 H new ATOM 697 N SER A 48 -12.324 13.087 2.647 1.00 0.00 N ATOM 698 CA SER A 48 -13.206 13.114 1.486 1.00 0.00 C ATOM 699 C SER A 48 -13.332 11.725 0.868 1.00 0.00 C ATOM 700 O SER A 48 -12.385 10.938 0.879 1.00 0.00 O ATOM 701 CB SER A 48 -12.682 14.103 0.443 1.00 0.00 C ATOM 702 OG SER A 48 -12.382 15.354 1.034 1.00 0.00 O ATOM 0 H SER A 48 -11.540 13.737 2.596 1.00 0.00 H new ATOM 0 HA SER A 48 -14.193 13.437 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.788 13.697 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.426 14.237 -0.342 1.00 0.00 H new ATOM 0 HG SER A 48 -11.420 15.408 1.214 1.00 0.00 H new ATOM 708 N THR A 49 -14.510 11.428 0.328 1.00 0.00 N ATOM 709 CA THR A 49 -14.762 10.135 -0.295 1.00 0.00 C ATOM 710 C THR A 49 -13.601 9.719 -1.190 1.00 0.00 C ATOM 711 O THR A 49 -13.172 8.565 -1.171 1.00 0.00 O ATOM 712 CB THR A 49 -16.057 10.155 -1.129 1.00 0.00 C ATOM 713 OG1 THR A 49 -17.087 10.852 -0.419 1.00 0.00 O ATOM 714 CG2 THR A 49 -16.520 8.741 -1.446 1.00 0.00 C ATOM 0 H THR A 49 -15.305 12.067 0.310 1.00 0.00 H new ATOM 0 HA THR A 49 -14.871 9.412 0.513 1.00 0.00 H new ATOM 0 HB THR A 49 -15.850 10.671 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.906 10.862 -0.957 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.436 8.782 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.746 8.223 -2.013 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.710 8.204 -0.517 1.00 0.00 H new ATOM 722 N ARG A 50 -13.095 10.667 -1.972 1.00 0.00 N ATOM 723 CA ARG A 50 -11.982 10.399 -2.876 1.00 0.00 C ATOM 724 C ARG A 50 -10.721 10.042 -2.094 1.00 0.00 C ATOM 725 O ARG A 50 -9.955 9.168 -2.497 1.00 0.00 O ATOM 726 CB ARG A 50 -11.717 11.613 -3.767 1.00 0.00 C ATOM 727 CG ARG A 50 -10.685 11.357 -4.853 1.00 0.00 C ATOM 728 CD ARG A 50 -10.312 12.640 -5.581 1.00 0.00 C ATOM 729 NE ARG A 50 -9.363 12.398 -6.665 1.00 0.00 N ATOM 730 CZ ARG A 50 -9.176 13.237 -7.677 1.00 0.00 C ATOM 731 NH1 ARG A 50 -9.865 14.367 -7.742 1.00 0.00 N ATOM 732 NH2 ARG A 50 -8.294 12.948 -8.626 1.00 0.00 N ATOM 0 H ARG A 50 -13.438 11.627 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.252 9.550 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.653 11.923 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.380 12.443 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.792 10.915 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.078 10.633 -5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.213 13.103 -5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.880 13.347 -4.872 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.815 11.538 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.541 14.595 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.719 15.009 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.759 12.081 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.151 13.593 -9.403 1.00 0.00 H new ATOM 746 N GLU A 51 -10.512 10.727 -0.974 1.00 0.00 N ATOM 747 CA GLU A 51 -9.342 10.484 -0.137 1.00 0.00 C ATOM 748 C GLU A 51 -9.403 9.093 0.489 1.00 0.00 C ATOM 749 O GLU A 51 -8.392 8.394 0.570 1.00 0.00 O ATOM 750 CB GLU A 51 -9.244 11.545 0.961 1.00 0.00 C ATOM 751 CG GLU A 51 -8.501 12.799 0.530 1.00 0.00 C ATOM 752 CD GLU A 51 -8.588 13.911 1.557 1.00 0.00 C ATOM 753 OE1 GLU A 51 -7.853 13.845 2.565 1.00 0.00 O ATOM 754 OE2 GLU A 51 -9.390 14.846 1.354 1.00 0.00 O ATOM 0 H GLU A 51 -11.137 11.454 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.455 10.542 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.249 11.820 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.741 11.114 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.454 12.554 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.910 13.151 -0.417 1.00 0.00 H new ATOM 761 N VAL A 52 -10.593 8.700 0.930 1.00 0.00 N ATOM 762 CA VAL A 52 -10.785 7.393 1.548 1.00 0.00 C ATOM 763 C VAL A 52 -10.542 6.271 0.547 1.00 0.00 C ATOM 764 O VAL A 52 -9.892 5.273 0.862 1.00 0.00 O ATOM 765 CB VAL A 52 -12.205 7.250 2.128 1.00 0.00 C ATOM 766 CG1 VAL A 52 -12.390 5.876 2.755 1.00 0.00 C ATOM 767 CG2 VAL A 52 -12.479 8.350 3.144 1.00 0.00 C ATOM 0 H VAL A 52 -11.439 9.267 0.871 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.060 7.316 2.358 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.923 7.351 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.399 5.793 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.239 5.107 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.665 5.742 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.486 8.234 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.756 8.283 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.391 9.323 2.660 1.00 0.00 H new ATOM 777 N ARG A 53 -11.067 6.439 -0.663 1.00 0.00 N ATOM 778 CA ARG A 53 -10.907 5.438 -1.711 1.00 0.00 C ATOM 779 C ARG A 53 -9.478 5.432 -2.243 1.00 0.00 C ATOM 780 O ARG A 53 -8.945 4.385 -2.612 1.00 0.00 O ATOM 781 CB ARG A 53 -11.888 5.708 -2.854 1.00 0.00 C ATOM 782 CG ARG A 53 -13.297 5.210 -2.578 1.00 0.00 C ATOM 783 CD ARG A 53 -14.296 5.789 -3.568 1.00 0.00 C ATOM 784 NE ARG A 53 -14.441 4.948 -4.754 1.00 0.00 N ATOM 785 CZ ARG A 53 -13.614 4.996 -5.793 1.00 0.00 C ATOM 786 NH1 ARG A 53 -12.591 5.839 -5.793 1.00 0.00 N ATOM 787 NH2 ARG A 53 -13.811 4.199 -6.836 1.00 0.00 N ATOM 0 H ARG A 53 -11.607 7.259 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.119 4.459 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.922 6.780 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.515 5.233 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.317 4.122 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.588 5.483 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.265 5.900 -3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.973 6.786 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.219 4.289 -4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.437 6.454 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.958 5.873 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.597 3.549 -6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.176 4.236 -7.633 1.00 0.00 H new ATOM 801 N LYS A 54 -8.861 6.609 -2.281 1.00 0.00 N ATOM 802 CA LYS A 54 -7.492 6.741 -2.768 1.00 0.00 C ATOM 803 C LYS A 54 -6.507 6.089 -1.803 1.00 0.00 C ATOM 804 O LYS A 54 -5.732 5.214 -2.188 1.00 0.00 O ATOM 805 CB LYS A 54 -7.136 8.217 -2.958 1.00 0.00 C ATOM 806 CG LYS A 54 -5.748 8.439 -3.531 1.00 0.00 C ATOM 807 CD LYS A 54 -5.459 9.916 -3.737 1.00 0.00 C ATOM 808 CE LYS A 54 -3.977 10.169 -3.963 1.00 0.00 C ATOM 809 NZ LYS A 54 -3.584 9.937 -5.380 1.00 0.00 N ATOM 0 H LYS A 54 -9.287 7.485 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.424 6.231 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.871 8.677 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.209 8.726 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.004 8.012 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.658 7.914 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.026 10.283 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.796 10.478 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.737 11.195 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.394 9.516 -3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.566 10.120 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.789 8.951 -5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.121 10.577 -5.999 1.00 0.00 H new ATOM 823 N TRP A 55 -6.543 6.522 -0.547 1.00 0.00 N ATOM 824 CA TRP A 55 -5.654 5.979 0.473 1.00 0.00 C ATOM 825 C TRP A 55 -5.441 4.482 0.271 1.00 0.00 C ATOM 826 O TRP A 55 -4.312 3.995 0.309 1.00 0.00 O ATOM 827 CB TRP A 55 -6.224 6.241 1.868 1.00 0.00 C ATOM 828 CG TRP A 55 -5.426 5.604 2.966 1.00 0.00 C ATOM 829 CD1 TRP A 55 -4.450 6.194 3.717 1.00 0.00 C ATOM 830 CD2 TRP A 55 -5.535 4.255 3.433 1.00 0.00 C ATOM 831 NE1 TRP A 55 -3.946 5.293 4.623 1.00 0.00 N ATOM 832 CE2 TRP A 55 -4.595 4.097 4.471 1.00 0.00 C ATOM 833 CE3 TRP A 55 -6.336 3.167 3.078 1.00 0.00 C ATOM 834 CZ2 TRP A 55 -4.435 2.893 5.153 1.00 0.00 C ATOM 835 CZ3 TRP A 55 -6.177 1.973 3.755 1.00 0.00 C ATOM 836 CH2 TRP A 55 -5.233 1.844 4.784 1.00 0.00 C ATOM 0 H TRP A 55 -7.178 7.247 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.690 6.479 0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.268 7.317 2.038 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.248 5.869 1.910 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -4.123 7.218 3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.207 5.484 5.300 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.067 3.258 2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.707 2.791 5.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.790 1.125 3.487 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.134 0.898 5.296 1.00 0.00 H new ATOM 847 N PHE A 56 -6.534 3.758 0.054 1.00 0.00 N ATOM 848 CA PHE A 56 -6.466 2.316 -0.155 1.00 0.00 C ATOM 849 C PHE A 56 -5.349 1.960 -1.131 1.00 0.00 C ATOM 850 O PHE A 56 -4.573 1.035 -0.892 1.00 0.00 O ATOM 851 CB PHE A 56 -7.805 1.792 -0.679 1.00 0.00 C ATOM 852 CG PHE A 56 -8.769 1.417 0.409 1.00 0.00 C ATOM 853 CD1 PHE A 56 -9.201 2.361 1.326 1.00 0.00 C ATOM 854 CD2 PHE A 56 -9.245 0.120 0.514 1.00 0.00 C ATOM 855 CE1 PHE A 56 -10.090 2.021 2.328 1.00 0.00 C ATOM 856 CE2 PHE A 56 -10.134 -0.227 1.514 1.00 0.00 C ATOM 857 CZ PHE A 56 -10.556 0.724 2.423 1.00 0.00 C ATOM 0 H PHE A 56 -7.477 4.146 0.018 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.250 1.844 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -8.262 2.553 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.624 0.921 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.838 3.376 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.918 -0.628 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.420 2.768 3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.499 -1.241 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.249 0.454 3.206 1.00 0.00 H new ATOM 867 N SER A 57 -5.276 2.699 -2.234 1.00 0.00 N ATOM 868 CA SER A 57 -4.258 2.459 -3.249 1.00 0.00 C ATOM 869 C SER A 57 -2.859 2.656 -2.673 1.00 0.00 C ATOM 870 O SER A 57 -1.944 1.884 -2.957 1.00 0.00 O ATOM 871 CB SER A 57 -4.467 3.394 -4.441 1.00 0.00 C ATOM 872 OG SER A 57 -5.530 2.941 -5.264 1.00 0.00 O ATOM 0 H SER A 57 -5.910 3.469 -2.447 1.00 0.00 H new ATOM 0 HA SER A 57 -4.351 1.426 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.683 4.401 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.549 3.453 -5.026 1.00 0.00 H new ATOM 0 HG SER A 57 -5.645 3.556 -6.018 1.00 0.00 H new ATOM 878 N ASP A 58 -2.702 3.696 -1.862 1.00 0.00 N ATOM 879 CA ASP A 58 -1.415 3.997 -1.244 1.00 0.00 C ATOM 880 C ASP A 58 -1.033 2.921 -0.233 1.00 0.00 C ATOM 881 O ASP A 58 0.044 2.330 -0.317 1.00 0.00 O ATOM 882 CB ASP A 58 -1.461 5.364 -0.560 1.00 0.00 C ATOM 883 CG ASP A 58 -1.704 6.495 -1.539 1.00 0.00 C ATOM 884 OD1 ASP A 58 -2.637 6.377 -2.362 1.00 0.00 O ATOM 885 OD2 ASP A 58 -0.961 7.497 -1.484 1.00 0.00 O ATOM 0 H ASP A 58 -3.450 4.345 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.659 4.018 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.249 5.364 0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.521 5.537 -0.037 1.00 0.00 H new ATOM 890 N ARG A 59 -1.924 2.671 0.722 1.00 0.00 N ATOM 891 CA ARG A 59 -1.679 1.667 1.752 1.00 0.00 C ATOM 892 C ARG A 59 -1.087 0.399 1.143 1.00 0.00 C ATOM 893 O ARG A 59 0.023 -0.008 1.489 1.00 0.00 O ATOM 894 CB ARG A 59 -2.977 1.335 2.488 1.00 0.00 C ATOM 895 CG ARG A 59 -2.813 0.271 3.561 1.00 0.00 C ATOM 896 CD ARG A 59 -1.998 0.787 4.737 1.00 0.00 C ATOM 897 NE ARG A 59 -0.569 0.543 4.560 1.00 0.00 N ATOM 898 CZ ARG A 59 0.341 0.797 5.495 1.00 0.00 C ATOM 899 NH1 ARG A 59 -0.028 1.298 6.666 1.00 0.00 N ATOM 900 NH2 ARG A 59 1.623 0.547 5.260 1.00 0.00 N ATOM 0 H ARG A 59 -2.821 3.149 0.804 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.962 2.077 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.368 2.244 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.719 0.998 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.795 -0.050 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.324 -0.605 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.171 1.856 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.338 0.304 5.653 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.252 0.157 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.013 1.490 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.673 1.492 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.911 0.160 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.321 0.742 5.978 1.00 0.00 H new ATOM 914 N ARG A 60 -1.835 -0.221 0.237 1.00 0.00 N ATOM 915 CA ARG A 60 -1.386 -1.444 -0.418 1.00 0.00 C ATOM 916 C ARG A 60 -0.158 -1.178 -1.284 1.00 0.00 C ATOM 917 O ARG A 60 0.798 -1.954 -1.281 1.00 0.00 O ATOM 918 CB ARG A 60 -2.509 -2.032 -1.274 1.00 0.00 C ATOM 919 CG ARG A 60 -2.966 -1.113 -2.394 1.00 0.00 C ATOM 920 CD ARG A 60 -2.172 -1.351 -3.669 1.00 0.00 C ATOM 921 NE ARG A 60 -2.071 -0.144 -4.484 1.00 0.00 N ATOM 922 CZ ARG A 60 -3.047 0.298 -5.268 1.00 0.00 C ATOM 923 NH1 ARG A 60 -4.193 -0.364 -5.342 1.00 0.00 N ATOM 924 NH2 ARG A 60 -2.879 1.406 -5.979 1.00 0.00 N ATOM 0 H ARG A 60 -2.755 0.103 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.115 -2.162 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.171 -2.975 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.361 -2.261 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.026 -1.274 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.854 -0.074 -2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.172 -1.700 -3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.647 -2.142 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.202 0.389 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.327 -1.215 -4.796 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.941 -0.022 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.999 1.919 -5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.630 1.744 -6.581 1.00 0.00 H new ATOM 938 N TYR A 61 -0.191 -0.076 -2.025 1.00 0.00 N ATOM 939 CA TYR A 61 0.917 0.292 -2.899 1.00 0.00 C ATOM 940 C TYR A 61 2.256 0.067 -2.204 1.00 0.00 C ATOM 941 O TYR A 61 3.172 -0.527 -2.773 1.00 0.00 O ATOM 942 CB TYR A 61 0.791 1.754 -3.328 1.00 0.00 C ATOM 943 CG TYR A 61 2.046 2.309 -3.964 1.00 0.00 C ATOM 944 CD1 TYR A 61 2.476 1.858 -5.206 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.800 3.283 -3.324 1.00 0.00 C ATOM 946 CE1 TYR A 61 3.622 2.361 -5.791 1.00 0.00 C ATOM 947 CE2 TYR A 61 3.947 3.793 -3.901 1.00 0.00 C ATOM 948 CZ TYR A 61 4.354 3.329 -5.135 1.00 0.00 C ATOM 949 OH TYR A 61 5.496 3.832 -5.714 1.00 0.00 O ATOM 0 H TYR A 61 -0.973 0.578 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 61 0.876 -0.344 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.035 1.847 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.537 2.359 -2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.905 1.101 -5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.484 3.649 -2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.943 1.998 -6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.522 4.551 -3.389 1.00 0.00 H new ATOM 0 HH TYR A 61 5.893 4.506 -5.123 1.00 0.00 H new ATOM 959 N HIS A 62 2.361 0.547 -0.968 1.00 0.00 N ATOM 960 CA HIS A 62 3.588 0.398 -0.192 1.00 0.00 C ATOM 961 C HIS A 62 3.895 -1.075 0.061 1.00 0.00 C ATOM 962 O HIS A 62 5.013 -1.536 -0.176 1.00 0.00 O ATOM 963 CB HIS A 62 3.469 1.143 1.137 1.00 0.00 C ATOM 964 CG HIS A 62 4.781 1.339 1.833 1.00 0.00 C ATOM 965 ND1 HIS A 62 5.700 2.292 1.449 1.00 0.00 N ATOM 966 CD2 HIS A 62 5.323 0.701 2.896 1.00 0.00 C ATOM 967 CE1 HIS A 62 6.754 2.230 2.243 1.00 0.00 C ATOM 968 NE2 HIS A 62 6.550 1.273 3.131 1.00 0.00 N ATOM 0 H HIS A 62 1.612 1.042 -0.483 1.00 0.00 H new ATOM 0 HA HIS A 62 4.408 0.827 -0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.013 2.117 0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.797 0.591 1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.875 -0.107 3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.632 2.855 2.178 1.00 0.00 H new ATOM 0 HE2 HIS A 62 7.198 1.003 3.871 1.00 0.00 H new ATOM 977 N CYS A 63 2.898 -1.807 0.544 1.00 0.00 N ATOM 978 CA CYS A 63 3.063 -3.228 0.832 1.00 0.00 C ATOM 979 C CYS A 63 2.355 -4.080 -0.218 1.00 0.00 C ATOM 980 O CYS A 63 1.216 -4.504 -0.023 1.00 0.00 O ATOM 981 CB CYS A 63 2.518 -3.555 2.223 1.00 0.00 C ATOM 982 SG CYS A 63 3.736 -3.390 3.549 1.00 0.00 S ATOM 0 H CYS A 63 1.967 -1.441 0.745 1.00 0.00 H new ATOM 0 HA CYS A 63 4.128 -3.458 0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.674 -2.898 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.135 -4.575 2.221 1.00 0.00 H new ATOM 0 HG CYS A 63 3.181 -3.685 4.687 1.00 0.00 H new ATOM 988 N ARG A 64 3.038 -4.326 -1.331 1.00 0.00 N ATOM 989 CA ARG A 64 2.475 -5.125 -2.413 1.00 0.00 C ATOM 990 C ARG A 64 3.100 -6.517 -2.443 1.00 0.00 C ATOM 991 O ARG A 64 2.395 -7.525 -2.408 1.00 0.00 O ATOM 992 CB ARG A 64 2.690 -4.428 -3.756 1.00 0.00 C ATOM 993 CG ARG A 64 1.817 -3.198 -3.952 1.00 0.00 C ATOM 994 CD ARG A 64 2.069 -2.546 -5.303 1.00 0.00 C ATOM 995 NE ARG A 64 1.666 -3.408 -6.410 1.00 0.00 N ATOM 996 CZ ARG A 64 1.652 -3.017 -7.679 1.00 0.00 C ATOM 997 NH1 ARG A 64 2.017 -1.783 -8.000 1.00 0.00 N ATOM 998 NH2 ARG A 64 1.273 -3.860 -8.631 1.00 0.00 N ATOM 0 H ARG A 64 3.982 -3.983 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 64 1.405 -5.230 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.737 -4.137 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.490 -5.137 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.767 -3.479 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.015 -2.479 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.522 -1.605 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.128 -2.306 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 64 1.379 -4.363 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.309 -1.132 -7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.005 -1.485 -8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.992 -4.810 -8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.263 -3.558 -9.605 1.00 0.00 H new ATOM 1012 N ASN A 65 4.427 -6.562 -2.509 1.00 0.00 N ATOM 1013 CA ASN A 65 5.146 -7.831 -2.545 1.00 0.00 C ATOM 1014 C ASN A 65 5.944 -8.040 -1.262 1.00 0.00 C ATOM 1015 O ASN A 65 7.089 -8.493 -1.296 1.00 0.00 O ATOM 1016 CB ASN A 65 6.084 -7.873 -3.755 1.00 0.00 C ATOM 1017 CG ASN A 65 5.376 -8.320 -5.018 1.00 0.00 C ATOM 1018 OD1 ASN A 65 5.381 -9.503 -5.362 1.00 0.00 O ATOM 1019 ND2 ASN A 65 4.762 -7.373 -5.719 1.00 0.00 N ATOM 0 H ASN A 65 5.025 -5.736 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 65 4.414 -8.634 -2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.514 -6.884 -3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.912 -8.551 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.269 -7.614 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.783 -6.405 -5.397 1.00 0.00 H new ATOM 1026 N LEU A 66 5.331 -7.708 -0.131 1.00 0.00 N ATOM 1027 CA LEU A 66 5.983 -7.861 1.166 1.00 0.00 C ATOM 1028 C LEU A 66 5.909 -9.306 1.646 1.00 0.00 C ATOM 1029 O LEU A 66 5.068 -10.081 1.189 1.00 0.00 O ATOM 1030 CB LEU A 66 5.335 -6.935 2.197 1.00 0.00 C ATOM 1031 CG LEU A 66 6.230 -6.489 3.353 1.00 0.00 C ATOM 1032 CD1 LEU A 66 7.009 -5.239 2.975 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.400 -6.242 4.605 1.00 0.00 C ATOM 0 H LEU A 66 4.384 -7.331 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 66 7.032 -7.589 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.972 -6.046 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.463 -7.440 2.613 1.00 0.00 H new ATOM 0 HG LEU A 66 6.942 -7.287 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.640 -4.937 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.633 -5.448 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.313 -4.435 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.053 -5.925 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.664 -5.463 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.887 -7.161 4.889 1.00 0.00 H new ATOM 1045 N LYS A 67 6.794 -9.663 2.571 1.00 0.00 N ATOM 1046 CA LYS A 67 6.827 -11.015 3.117 1.00 0.00 C ATOM 1047 C LYS A 67 5.504 -11.362 3.791 1.00 0.00 C ATOM 1048 O LYS A 67 4.686 -10.485 4.064 1.00 0.00 O ATOM 1049 CB LYS A 67 7.974 -11.154 4.121 1.00 0.00 C ATOM 1050 CG LYS A 67 9.340 -11.289 3.468 1.00 0.00 C ATOM 1051 CD LYS A 67 9.549 -12.681 2.897 1.00 0.00 C ATOM 1052 CE LYS A 67 10.161 -13.619 3.926 1.00 0.00 C ATOM 1053 NZ LYS A 67 11.614 -13.360 4.118 1.00 0.00 N ATOM 0 H LYS A 67 7.498 -9.035 2.958 1.00 0.00 H new ATOM 0 HA LYS A 67 6.988 -11.709 2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.979 -10.284 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.793 -12.026 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.439 -10.550 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.118 -11.075 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.594 -13.084 2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.199 -12.623 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.643 -13.502 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.015 -14.651 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.029 -14.120 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.086 -13.329 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.743 -12.449 4.603 1.00 0.00 H new ATOM 1067 N GLY A 68 5.301 -12.649 4.058 1.00 0.00 N ATOM 1068 CA GLY A 68 4.075 -13.089 4.699 1.00 0.00 C ATOM 1069 C GLY A 68 3.777 -14.552 4.438 1.00 0.00 C ATOM 1070 O GLY A 68 4.679 -15.391 4.462 1.00 0.00 O ATOM 0 H GLY A 68 5.963 -13.394 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.151 -12.923 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.243 -12.482 4.341 1.00 0.00 H new ATOM 1074 N SER A 69 2.508 -14.861 4.190 1.00 0.00 N ATOM 1075 CA SER A 69 2.093 -16.234 3.930 1.00 0.00 C ATOM 1076 C SER A 69 2.719 -16.756 2.640 1.00 0.00 C ATOM 1077 O SER A 69 3.104 -15.978 1.765 1.00 0.00 O ATOM 1078 CB SER A 69 0.569 -16.320 3.841 1.00 0.00 C ATOM 1079 OG SER A 69 0.152 -17.616 3.444 1.00 0.00 O ATOM 0 H SER A 69 1.750 -14.179 4.164 1.00 0.00 H new ATOM 0 HA SER A 69 2.437 -16.854 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.131 -16.074 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.201 -15.582 3.128 1.00 0.00 H new ATOM 0 HG SER A 69 -0.826 -17.645 3.396 1.00 0.00 H new ATOM 1085 N ARG A 70 2.818 -18.076 2.528 1.00 0.00 N ATOM 1086 CA ARG A 70 3.397 -18.703 1.347 1.00 0.00 C ATOM 1087 C ARG A 70 2.762 -18.152 0.073 1.00 0.00 C ATOM 1088 O ARG A 70 3.443 -17.568 -0.769 1.00 0.00 O ATOM 1089 CB ARG A 70 3.215 -20.220 1.406 1.00 0.00 C ATOM 1090 CG ARG A 70 3.711 -20.942 0.163 1.00 0.00 C ATOM 1091 CD ARG A 70 5.180 -21.319 0.286 1.00 0.00 C ATOM 1092 NE ARG A 70 5.424 -22.206 1.420 1.00 0.00 N ATOM 1093 CZ ARG A 70 6.624 -22.679 1.740 1.00 0.00 C ATOM 1094 NH1 ARG A 70 7.684 -22.349 1.013 1.00 0.00 N ATOM 1095 NH2 ARG A 70 6.767 -23.482 2.786 1.00 0.00 N ATOM 0 H ARG A 70 2.504 -18.733 3.242 1.00 0.00 H new ATOM 0 HA ARG A 70 4.462 -18.473 1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.745 -20.607 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.158 -20.445 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.116 -21.841 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.570 -20.305 -0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.507 -21.806 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.778 -20.415 0.398 1.00 0.00 H new ATOM 0 HE ARG A 70 4.629 -22.478 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.578 -21.732 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.605 -22.713 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.955 -23.738 3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.689 -23.843 3.029 1.00 0.00 H new ATOM 1109 N SER A 71 1.455 -18.345 -0.061 1.00 0.00 N ATOM 1110 CA SER A 71 0.728 -17.873 -1.234 1.00 0.00 C ATOM 1111 C SER A 71 0.886 -16.364 -1.399 1.00 0.00 C ATOM 1112 O SER A 71 0.141 -15.582 -0.808 1.00 0.00 O ATOM 1113 CB SER A 71 -0.755 -18.232 -1.120 1.00 0.00 C ATOM 1114 OG SER A 71 -1.498 -17.672 -2.188 1.00 0.00 O ATOM 0 H SER A 71 0.877 -18.825 0.628 1.00 0.00 H new ATOM 0 HA SER A 71 1.147 -18.364 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.871 -19.316 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.148 -17.870 -0.170 1.00 0.00 H new ATOM 0 HG SER A 71 -2.442 -17.917 -2.093 1.00 0.00 H new ATOM 1120 N GLY A 72 1.861 -15.963 -2.208 1.00 0.00 N ATOM 1121 CA GLY A 72 2.101 -14.550 -2.437 1.00 0.00 C ATOM 1122 C GLY A 72 2.202 -14.211 -3.911 1.00 0.00 C ATOM 1123 O GLY A 72 1.206 -13.920 -4.574 1.00 0.00 O ATOM 0 H GLY A 72 2.489 -16.591 -2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.294 -13.970 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.023 -14.255 -1.935 1.00 0.00 H new ATOM 1127 N PRO A 73 3.432 -14.245 -4.447 1.00 0.00 N ATOM 1128 CA PRO A 73 3.690 -13.941 -5.857 1.00 0.00 C ATOM 1129 C PRO A 73 3.146 -15.017 -6.791 1.00 0.00 C ATOM 1130 O PRO A 73 3.323 -16.210 -6.547 1.00 0.00 O ATOM 1131 CB PRO A 73 5.217 -13.886 -5.935 1.00 0.00 C ATOM 1132 CG PRO A 73 5.685 -14.744 -4.810 1.00 0.00 C ATOM 1133 CD PRO A 73 4.665 -14.584 -3.717 1.00 0.00 C ATOM 0 HA PRO A 73 3.201 -13.019 -6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.578 -14.258 -6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.582 -12.864 -5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.765 -15.786 -5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.674 -14.436 -4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.550 -15.500 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.946 -13.797 -3.017 1.00 0.00 H new ATOM 1141 N SER A 74 2.486 -14.586 -7.862 1.00 0.00 N ATOM 1142 CA SER A 74 1.914 -15.513 -8.831 1.00 0.00 C ATOM 1143 C SER A 74 2.667 -15.448 -10.155 1.00 0.00 C ATOM 1144 O SER A 74 3.203 -16.449 -10.628 1.00 0.00 O ATOM 1145 CB SER A 74 0.434 -15.199 -9.056 1.00 0.00 C ATOM 1146 OG SER A 74 -0.175 -16.178 -9.881 1.00 0.00 O ATOM 0 H SER A 74 2.335 -13.601 -8.080 1.00 0.00 H new ATOM 0 HA SER A 74 2.007 -16.522 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.082 -15.155 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.333 -14.216 -9.517 1.00 0.00 H new ATOM 0 HG SER A 74 -1.121 -15.956 -10.008 1.00 0.00 H new ATOM 1152 N SER A 75 2.702 -14.259 -10.750 1.00 0.00 N ATOM 1153 CA SER A 75 3.386 -14.061 -12.023 1.00 0.00 C ATOM 1154 C SER A 75 4.402 -12.928 -11.923 1.00 0.00 C ATOM 1155 O SER A 75 4.074 -11.820 -11.503 1.00 0.00 O ATOM 1156 CB SER A 75 2.373 -13.758 -13.128 1.00 0.00 C ATOM 1157 OG SER A 75 1.568 -12.641 -12.790 1.00 0.00 O ATOM 0 H SER A 75 2.265 -13.419 -10.371 1.00 0.00 H new ATOM 0 HA SER A 75 3.917 -14.980 -12.269 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.898 -13.562 -14.063 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.740 -14.630 -13.294 1.00 0.00 H new ATOM 0 HG SER A 75 2.123 -11.955 -12.363 1.00 0.00 H new ATOM 1163 N GLY A 76 5.640 -13.215 -12.314 1.00 0.00 N ATOM 1164 CA GLY A 76 6.687 -12.211 -12.261 1.00 0.00 C ATOM 1165 C GLY A 76 6.673 -11.295 -13.468 1.00 0.00 C ATOM 1166 O GLY A 76 7.658 -11.207 -14.200 1.00 0.00 O ATOM 0 H GLY A 76 5.937 -14.125 -12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.570 -11.616 -11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.657 -12.705 -12.195 1.00 0.00 H new TER 1170 GLY A 76