USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 THR OG1 : rot -165:sc= -0.461 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.83) USER MOD Single : A 19 ASN : amide:sc= -2.05 K(o=-2,f=-8.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.502 K(o=-0.5,f=-3.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.8!) USER MOD Single : A 45 THR OG1 : rot -87:sc= 0.1 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -1.91 (180deg=-2.27) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -0.101 (180deg=-0.614) USER MOD Single : A 55 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.084) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 66 SER OG : rot -158:sc= 0.311 USER MOD Single : A 67 TYR OH : rot 100:sc= 0.364 USER MOD Single : A 71 SER OG : rot 35:sc= -0.534! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.21! C(o=-1.2!,f=-5.6!) USER MOD Single : A 82 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.66) USER MOD Single : A 84 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.27) USER MOD Single : A 86 ASN : amide:sc= -0.598 K(o=-0.6,f=-1.5) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0509 (180deg=-0.435) USER MOD Single : A 88 ASN : amide:sc= -0.081 K(o=-0.081,f=-1) USER MOD Single : A 89 SER OG : rot 48:sc= -0.202 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 80:sc= -0.15 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -7.965 11.163 -12.632 1.00 0.00 N ATOM 36 CA PRO A 3 -8.082 10.219 -11.478 1.00 0.00 C ATOM 37 C PRO A 3 -8.220 10.958 -10.139 1.00 0.00 C ATOM 38 O PRO A 3 -7.813 12.096 -9.999 1.00 0.00 O ATOM 39 CB PRO A 3 -6.776 9.409 -11.537 1.00 0.00 C ATOM 40 CG PRO A 3 -5.799 10.302 -12.229 1.00 0.00 C ATOM 41 CD PRO A 3 -6.615 11.125 -13.227 1.00 0.00 C ATOM 0 HA PRO A 3 -8.974 9.595 -11.544 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.430 9.144 -10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.914 8.476 -12.084 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.288 10.948 -11.516 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.031 9.720 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.204 12.127 -13.350 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.626 10.662 -14.214 1.00 0.00 H new ATOM 49 N GLN A 4 -8.798 10.320 -9.159 1.00 0.00 N ATOM 50 CA GLN A 4 -8.971 10.980 -7.835 1.00 0.00 C ATOM 51 C GLN A 4 -7.662 10.893 -7.044 1.00 0.00 C ATOM 52 O GLN A 4 -7.203 9.822 -6.696 1.00 0.00 O ATOM 53 CB GLN A 4 -10.086 10.268 -7.066 1.00 0.00 C ATOM 54 CG GLN A 4 -10.351 10.994 -5.748 1.00 0.00 C ATOM 55 CD GLN A 4 -11.486 10.292 -5.003 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.516 9.081 -4.916 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.433 11.008 -4.460 1.00 0.00 N ATOM 0 H GLN A 4 -9.159 9.368 -9.219 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.234 12.028 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.995 10.242 -7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.803 9.234 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.449 11.001 -5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.615 12.034 -5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.409 12.025 -4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.197 10.550 -3.963 1.00 0.00 H new ATOM 66 N LEU A 5 -7.053 12.016 -6.765 1.00 0.00 N ATOM 67 CA LEU A 5 -5.768 12.011 -6.006 1.00 0.00 C ATOM 68 C LEU A 5 -6.061 12.097 -4.507 1.00 0.00 C ATOM 69 O LEU A 5 -6.834 12.923 -4.062 1.00 0.00 O ATOM 70 CB LEU A 5 -4.933 13.223 -6.425 1.00 0.00 C ATOM 71 CG LEU A 5 -4.730 13.211 -7.944 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.930 14.451 -8.355 1.00 0.00 C ATOM 73 CD2 LEU A 5 -3.975 11.939 -8.368 1.00 0.00 C ATOM 0 H LEU A 5 -7.392 12.940 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.221 11.092 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.433 14.143 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.968 13.204 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.702 13.221 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.783 14.447 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.477 15.349 -8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.961 14.440 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.837 11.941 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.002 11.913 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.551 11.060 -8.078 1.00 0.00 H new ATOM 85 N THR A 6 -5.448 11.240 -3.730 1.00 0.00 N ATOM 86 CA THR A 6 -5.672 11.241 -2.249 1.00 0.00 C ATOM 87 C THR A 6 -4.326 11.406 -1.541 1.00 0.00 C ATOM 88 O THR A 6 -3.318 10.880 -1.970 1.00 0.00 O ATOM 89 CB THR A 6 -6.320 9.920 -1.834 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.557 9.772 -2.515 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.568 9.930 -0.327 1.00 0.00 C ATOM 0 H THR A 6 -4.794 10.531 -4.061 1.00 0.00 H new ATOM 0 HA THR A 6 -6.331 12.064 -1.972 1.00 0.00 H new ATOM 0 HB THR A 6 -5.660 9.091 -2.089 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.083 9.064 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.030 8.989 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.620 10.051 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.231 10.757 -0.073 1.00 0.00 H new ATOM 99 N LYS A 7 -4.299 12.145 -0.465 1.00 0.00 N ATOM 100 CA LYS A 7 -3.020 12.366 0.272 1.00 0.00 C ATOM 101 C LYS A 7 -2.872 11.331 1.389 1.00 0.00 C ATOM 102 O LYS A 7 -3.841 10.845 1.935 1.00 0.00 O ATOM 103 CB LYS A 7 -3.044 13.766 0.890 1.00 0.00 C ATOM 104 CG LYS A 7 -3.048 14.813 -0.223 1.00 0.00 C ATOM 105 CD LYS A 7 -3.100 16.213 0.392 1.00 0.00 C ATOM 106 CE LYS A 7 -3.106 17.259 -0.723 1.00 0.00 C ATOM 107 NZ LYS A 7 -3.181 18.623 -0.130 1.00 0.00 N ATOM 0 H LYS A 7 -5.113 12.608 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.183 12.269 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.927 13.883 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.175 13.906 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.155 14.708 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.906 14.660 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.993 16.318 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.241 16.367 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.205 17.164 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.955 17.093 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.185 19.332 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.053 18.711 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.357 18.780 0.485 1.00 0.00 H new ATOM 121 N ILE A 8 -1.663 10.977 1.714 1.00 0.00 N ATOM 122 CA ILE A 8 -1.437 9.955 2.778 1.00 0.00 C ATOM 123 C ILE A 8 -2.123 10.414 4.066 1.00 0.00 C ATOM 124 O ILE A 8 -2.774 9.644 4.746 1.00 0.00 O ATOM 125 CB ILE A 8 0.070 9.839 3.033 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.754 9.227 1.806 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.334 8.959 4.261 1.00 0.00 C ATOM 128 CD1 ILE A 8 2.275 9.340 1.950 1.00 0.00 C ATOM 0 H ILE A 8 -0.815 11.352 1.288 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.843 8.993 2.465 1.00 0.00 H new ATOM 0 HB ILE A 8 0.474 10.834 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.466 8.181 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.426 9.740 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.408 8.885 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.142 9.402 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.076 7.964 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.757 8.903 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.556 10.390 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.596 8.807 2.845 1.00 0.00 H new ATOM 140 N VAL A 9 -1.982 11.661 4.401 1.00 0.00 N ATOM 141 CA VAL A 9 -2.624 12.176 5.644 1.00 0.00 C ATOM 142 C VAL A 9 -4.147 12.055 5.519 1.00 0.00 C ATOM 143 O VAL A 9 -4.878 12.318 6.454 1.00 0.00 O ATOM 144 CB VAL A 9 -2.236 13.645 5.838 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.864 14.496 4.729 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.730 14.135 7.203 1.00 0.00 C ATOM 0 H VAL A 9 -1.450 12.350 3.870 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.287 11.594 6.502 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.151 13.737 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.586 15.540 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.504 14.153 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.949 14.401 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.452 15.180 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.815 14.039 7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.276 13.535 7.991 1.00 0.00 H new ATOM 156 N ASP A 10 -4.629 11.657 4.367 1.00 0.00 N ATOM 157 CA ASP A 10 -6.106 11.515 4.164 1.00 0.00 C ATOM 158 C ASP A 10 -6.489 10.034 4.247 1.00 0.00 C ATOM 159 O ASP A 10 -7.616 9.660 3.990 1.00 0.00 O ATOM 160 CB ASP A 10 -6.475 12.053 2.778 1.00 0.00 C ATOM 161 CG ASP A 10 -7.994 12.198 2.664 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.657 12.129 3.685 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.469 12.382 1.554 1.00 0.00 O ATOM 0 H ASP A 10 -4.060 11.423 3.554 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.639 12.075 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.995 13.018 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.106 11.378 2.006 1.00 0.00 H new ATOM 168 N ILE A 11 -5.558 9.184 4.591 1.00 0.00 N ATOM 169 CA ILE A 11 -5.871 7.729 4.676 1.00 0.00 C ATOM 170 C ILE A 11 -6.468 7.413 6.049 1.00 0.00 C ATOM 171 O ILE A 11 -5.800 7.484 7.061 1.00 0.00 O ATOM 172 CB ILE A 11 -4.572 6.926 4.498 1.00 0.00 C ATOM 173 CG1 ILE A 11 -3.907 7.272 3.148 1.00 0.00 C ATOM 174 CG2 ILE A 11 -4.875 5.427 4.569 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.519 6.467 1.995 1.00 0.00 C ATOM 0 H ILE A 11 -4.595 9.435 4.816 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.586 7.463 3.897 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.882 7.188 5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.020 8.338 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.837 7.070 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.951 4.863 4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.315 5.190 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.575 5.159 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.026 6.737 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.383 5.402 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.584 6.689 1.921 1.00 0.00 H new ATOM 187 N VAL A 12 -7.719 7.049 6.088 1.00 0.00 N ATOM 188 CA VAL A 12 -8.364 6.709 7.390 1.00 0.00 C ATOM 189 C VAL A 12 -9.458 5.659 7.159 1.00 0.00 C ATOM 190 O VAL A 12 -10.174 5.291 8.070 1.00 0.00 O ATOM 191 CB VAL A 12 -8.964 7.972 8.015 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.840 8.952 8.359 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.925 8.633 7.026 1.00 0.00 C ATOM 0 H VAL A 12 -8.326 6.972 5.272 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.618 6.301 8.072 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.507 7.701 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.265 9.852 8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.155 8.486 9.067 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.298 9.217 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.349 9.531 7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.385 8.902 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.727 7.938 6.778 1.00 0.00 H new ATOM 203 N GLU A 13 -9.587 5.168 5.946 1.00 0.00 N ATOM 204 CA GLU A 13 -10.627 4.131 5.645 1.00 0.00 C ATOM 205 C GLU A 13 -9.985 2.997 4.840 1.00 0.00 C ATOM 206 O GLU A 13 -9.298 3.226 3.864 1.00 0.00 O ATOM 207 CB GLU A 13 -11.756 4.766 4.828 1.00 0.00 C ATOM 208 CG GLU A 13 -12.856 3.728 4.593 1.00 0.00 C ATOM 209 CD GLU A 13 -14.020 4.376 3.842 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.064 5.594 3.794 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.848 3.643 3.328 1.00 0.00 O ATOM 0 H GLU A 13 -9.013 5.443 5.149 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.034 3.734 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.161 5.629 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.371 5.127 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.462 2.889 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.202 3.328 5.546 1.00 0.00 H new ATOM 218 N ASN A 14 -10.193 1.772 5.250 1.00 0.00 N ATOM 219 CA ASN A 14 -9.585 0.616 4.521 1.00 0.00 C ATOM 220 C ASN A 14 -10.510 0.151 3.395 1.00 0.00 C ATOM 221 O ASN A 14 -11.693 0.428 3.391 1.00 0.00 O ATOM 222 CB ASN A 14 -9.357 -0.537 5.499 1.00 0.00 C ATOM 223 CG ASN A 14 -10.702 -1.030 6.037 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.747 -0.608 5.581 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.719 -1.916 6.995 1.00 0.00 N ATOM 0 H ASN A 14 -10.759 1.521 6.060 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.634 0.931 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.833 -1.352 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.723 -0.208 6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.609 -2.254 7.361 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.842 -2.270 7.378 1.00 0.00 H new ATOM 232 N GLY A 15 -9.975 -0.556 2.437 1.00 0.00 N ATOM 233 CA GLY A 15 -10.819 -1.044 1.310 1.00 0.00 C ATOM 234 C GLY A 15 -11.285 0.148 0.477 1.00 0.00 C ATOM 235 O GLY A 15 -12.260 0.071 -0.245 1.00 0.00 O ATOM 0 H GLY A 15 -8.990 -0.817 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.252 -1.737 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.679 -1.592 1.695 1.00 0.00 H new ATOM 239 N GLN A 16 -10.600 1.256 0.576 1.00 0.00 N ATOM 240 CA GLN A 16 -11.003 2.464 -0.202 1.00 0.00 C ATOM 241 C GLN A 16 -10.226 2.522 -1.517 1.00 0.00 C ATOM 242 O GLN A 16 -9.040 2.252 -1.566 1.00 0.00 O ATOM 243 CB GLN A 16 -10.708 3.718 0.623 1.00 0.00 C ATOM 244 CG GLN A 16 -11.092 4.961 -0.180 1.00 0.00 C ATOM 245 CD GLN A 16 -11.017 6.191 0.723 1.00 0.00 C ATOM 246 OE1 GLN A 16 -11.674 6.250 1.744 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.227 7.175 0.397 1.00 0.00 N ATOM 0 H GLN A 16 -9.776 1.377 1.164 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.069 2.411 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.267 3.690 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.650 3.754 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.421 5.079 -1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.100 4.851 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.676 7.124 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.160 7.996 0.999 1.00 0.00 H new ATOM 256 N TRP A 17 -10.893 2.877 -2.584 1.00 0.00 N ATOM 257 CA TRP A 17 -10.217 2.965 -3.912 1.00 0.00 C ATOM 258 C TRP A 17 -9.769 4.406 -4.159 1.00 0.00 C ATOM 259 O TRP A 17 -10.550 5.334 -4.084 1.00 0.00 O ATOM 260 CB TRP A 17 -11.203 2.541 -5.002 1.00 0.00 C ATOM 261 CG TRP A 17 -11.448 1.069 -4.902 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.519 0.496 -4.303 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.625 -0.023 -5.402 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.403 -0.879 -4.404 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.253 -1.247 -5.074 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.407 -0.068 -6.102 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.691 -2.474 -5.429 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.838 -1.301 -6.462 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.479 -2.502 -6.124 1.00 0.00 C ATOM 0 H TRP A 17 -11.886 3.112 -2.592 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.347 2.309 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.141 3.086 -4.892 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.804 2.789 -5.986 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.330 1.025 -3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.084 -1.540 -4.029 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.905 0.851 -6.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.189 -3.396 -5.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.903 -1.324 -7.002 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.036 -3.447 -6.401 1.00 0.00 H new ATOM 280 N ALA A 18 -8.515 4.598 -4.466 1.00 0.00 N ATOM 281 CA ALA A 18 -8.013 5.977 -4.733 1.00 0.00 C ATOM 282 C ALA A 18 -6.716 5.903 -5.545 1.00 0.00 C ATOM 283 O ALA A 18 -6.244 4.834 -5.881 1.00 0.00 O ATOM 284 CB ALA A 18 -7.758 6.701 -3.407 1.00 0.00 C ATOM 0 H ALA A 18 -7.816 3.859 -4.544 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.761 6.530 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.391 7.708 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.687 6.759 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.014 6.152 -2.830 1.00 0.00 H new ATOM 290 N ASN A 19 -6.137 7.039 -5.854 1.00 0.00 N ATOM 291 CA ASN A 19 -4.858 7.068 -6.638 1.00 0.00 C ATOM 292 C ASN A 19 -3.830 7.894 -5.864 1.00 0.00 C ATOM 293 O ASN A 19 -4.158 8.907 -5.278 1.00 0.00 O ATOM 294 CB ASN A 19 -5.114 7.714 -7.997 1.00 0.00 C ATOM 295 CG ASN A 19 -6.338 7.061 -8.638 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.332 5.883 -8.934 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.402 7.780 -8.856 1.00 0.00 N ATOM 0 H ASN A 19 -6.499 7.957 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.485 6.055 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.278 8.785 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.243 7.593 -8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.229 7.354 -9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.409 8.769 -8.608 1.00 0.00 H new ATOM 304 N LEU A 20 -2.591 7.472 -5.848 1.00 0.00 N ATOM 305 CA LEU A 20 -1.543 8.238 -5.101 1.00 0.00 C ATOM 306 C LEU A 20 -0.256 8.298 -5.918 1.00 0.00 C ATOM 307 O LEU A 20 0.112 7.356 -6.591 1.00 0.00 O ATOM 308 CB LEU A 20 -1.257 7.544 -3.764 1.00 0.00 C ATOM 309 CG LEU A 20 -2.539 7.503 -2.895 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.283 6.175 -3.100 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.170 7.642 -1.412 1.00 0.00 C ATOM 0 H LEU A 20 -2.258 6.631 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.905 9.251 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.898 6.531 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.466 8.074 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.184 8.329 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.181 6.162 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.562 6.072 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.634 5.347 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.076 7.612 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.513 6.822 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.658 8.591 -1.252 1.00 0.00 H new ATOM 323 N LYS A 21 0.434 9.405 -5.845 1.00 0.00 N ATOM 324 CA LYS A 21 1.718 9.568 -6.591 1.00 0.00 C ATOM 325 C LYS A 21 2.820 9.920 -5.594 1.00 0.00 C ATOM 326 O LYS A 21 2.642 10.744 -4.718 1.00 0.00 O ATOM 327 CB LYS A 21 1.571 10.693 -7.614 1.00 0.00 C ATOM 328 CG LYS A 21 2.794 10.702 -8.539 1.00 0.00 C ATOM 329 CD LYS A 21 2.840 12.010 -9.344 1.00 0.00 C ATOM 330 CE LYS A 21 1.761 12.001 -10.426 1.00 0.00 C ATOM 331 NZ LYS A 21 1.935 13.193 -11.302 1.00 0.00 N ATOM 0 H LYS A 21 0.158 10.216 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 21 1.970 8.644 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.661 10.553 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.479 11.653 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.705 10.596 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.752 9.850 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.691 12.861 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.822 12.130 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.829 11.088 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.771 12.012 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.203 13.191 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.850 14.058 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.875 13.163 -11.747 1.00 0.00 H new ATOM 345 N ALA A 22 3.958 9.302 -5.724 1.00 0.00 N ATOM 346 CA ALA A 22 5.067 9.609 -4.781 1.00 0.00 C ATOM 347 C ALA A 22 6.361 8.916 -5.206 1.00 0.00 C ATOM 348 O ALA A 22 6.454 8.316 -6.259 1.00 0.00 O ATOM 349 CB ALA A 22 4.682 9.160 -3.367 1.00 0.00 C ATOM 0 H ALA A 22 4.168 8.603 -6.436 1.00 0.00 H new ATOM 0 HA ALA A 22 5.236 10.686 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.497 9.386 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.782 9.687 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.493 8.086 -3.365 1.00 0.00 H new ATOM 355 N LYS A 23 7.362 9.022 -4.367 1.00 0.00 N ATOM 356 CA LYS A 23 8.691 8.403 -4.664 1.00 0.00 C ATOM 357 C LYS A 23 8.945 7.240 -3.712 1.00 0.00 C ATOM 358 O LYS A 23 8.463 7.211 -2.608 1.00 0.00 O ATOM 359 CB LYS A 23 9.791 9.456 -4.513 1.00 0.00 C ATOM 360 CG LYS A 23 11.144 8.850 -4.903 1.00 0.00 C ATOM 361 CD LYS A 23 12.258 9.893 -4.739 1.00 0.00 C ATOM 362 CE LYS A 23 12.213 10.913 -5.884 1.00 0.00 C ATOM 363 NZ LYS A 23 13.475 11.706 -5.875 1.00 0.00 N ATOM 0 H LYS A 23 7.314 9.518 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 23 8.694 8.027 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.572 10.317 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.825 9.815 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.355 7.981 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.111 8.502 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.147 10.405 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.229 9.397 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.096 10.402 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.353 11.572 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.454 12.401 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.566 12.203 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.286 11.069 -6.004 1.00 0.00 H new ATOM 377 N VAL A 24 9.695 6.267 -4.144 1.00 0.00 N ATOM 378 CA VAL A 24 9.971 5.094 -3.261 1.00 0.00 C ATOM 379 C VAL A 24 11.114 5.426 -2.292 1.00 0.00 C ATOM 380 O VAL A 24 12.275 5.334 -2.636 1.00 0.00 O ATOM 381 CB VAL A 24 10.368 3.907 -4.136 1.00 0.00 C ATOM 382 CG1 VAL A 24 10.734 2.708 -3.256 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.197 3.534 -5.048 1.00 0.00 C ATOM 0 H VAL A 24 10.129 6.230 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 24 9.080 4.850 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 24 11.232 4.181 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.016 1.866 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.571 2.973 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.876 2.431 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.478 2.687 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.333 3.265 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.944 4.384 -5.681 1.00 0.00 H new ATOM 393 N ILE A 25 10.796 5.818 -1.085 1.00 0.00 N ATOM 394 CA ILE A 25 11.856 6.159 -0.105 1.00 0.00 C ATOM 395 C ILE A 25 12.661 4.913 0.270 1.00 0.00 C ATOM 396 O ILE A 25 13.844 4.985 0.540 1.00 0.00 O ATOM 397 CB ILE A 25 11.174 6.724 1.136 1.00 0.00 C ATOM 398 CG1 ILE A 25 12.209 7.294 2.096 1.00 0.00 C ATOM 399 CG2 ILE A 25 10.395 5.619 1.850 1.00 0.00 C ATOM 400 CD1 ILE A 25 12.946 8.489 1.473 1.00 0.00 C ATOM 0 H ILE A 25 9.841 5.915 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 25 12.543 6.887 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 25 10.493 7.516 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.720 7.606 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.928 6.519 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.910 6.030 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.639 5.214 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.080 4.824 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.679 8.875 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.455 8.169 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.228 9.273 1.230 1.00 0.00 H new ATOM 412 N GLN A 26 12.031 3.772 0.287 1.00 0.00 N ATOM 413 CA GLN A 26 12.754 2.512 0.641 1.00 0.00 C ATOM 414 C GLN A 26 12.154 1.344 -0.136 1.00 0.00 C ATOM 415 O GLN A 26 10.955 1.148 -0.147 1.00 0.00 O ATOM 416 CB GLN A 26 12.617 2.243 2.142 1.00 0.00 C ATOM 417 CG GLN A 26 13.526 3.193 2.922 1.00 0.00 C ATOM 418 CD GLN A 26 13.353 2.947 4.420 1.00 0.00 C ATOM 419 OE1 GLN A 26 12.245 2.864 4.912 1.00 0.00 O ATOM 420 NE2 GLN A 26 14.411 2.825 5.172 1.00 0.00 N ATOM 0 H GLN A 26 11.041 3.654 0.070 1.00 0.00 H new ATOM 0 HA GLN A 26 13.808 2.619 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.581 2.379 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.882 1.209 2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.566 3.037 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.281 4.228 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.341 2.895 4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.309 2.660 6.173 1.00 0.00 H new ATOM 429 N LEU A 27 12.983 0.566 -0.788 1.00 0.00 N ATOM 430 CA LEU A 27 12.485 -0.600 -1.577 1.00 0.00 C ATOM 431 C LEU A 27 13.037 -1.894 -0.978 1.00 0.00 C ATOM 432 O LEU A 27 14.141 -1.935 -0.472 1.00 0.00 O ATOM 433 CB LEU A 27 12.976 -0.471 -3.021 1.00 0.00 C ATOM 434 CG LEU A 27 12.465 -1.649 -3.859 1.00 0.00 C ATOM 435 CD1 LEU A 27 10.925 -1.675 -3.874 1.00 0.00 C ATOM 436 CD2 LEU A 27 12.999 -1.518 -5.289 1.00 0.00 C ATOM 0 H LEU A 27 13.995 0.692 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 27 11.395 -0.620 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.627 0.469 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.066 -0.445 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 27 12.819 -2.581 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.581 -2.518 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.553 -1.779 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.550 -0.747 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.639 -2.353 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.650 -0.581 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.089 -1.526 -5.273 1.00 0.00 H new ATOM 448 N TRP A 28 12.285 -2.962 -1.055 1.00 0.00 N ATOM 449 CA TRP A 28 12.772 -4.268 -0.519 1.00 0.00 C ATOM 450 C TRP A 28 12.285 -5.404 -1.426 1.00 0.00 C ATOM 451 O TRP A 28 11.101 -5.652 -1.553 1.00 0.00 O ATOM 452 CB TRP A 28 12.242 -4.467 0.896 1.00 0.00 C ATOM 453 CG TRP A 28 12.912 -3.492 1.810 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.333 -2.382 2.321 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.275 -3.517 2.322 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.253 -1.727 3.119 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.465 -2.388 3.153 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.353 -4.404 2.150 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.681 -2.146 3.790 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.579 -4.163 2.790 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.744 -3.037 3.609 1.00 0.00 C ATOM 0 H TRP A 28 11.352 -2.985 -1.467 1.00 0.00 H new ATOM 0 HA TRP A 28 13.862 -4.271 -0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.162 -4.321 0.917 1.00 0.00 H new ATOM 0 HB3 TRP A 28 12.433 -5.487 1.229 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.319 -2.060 2.136 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.060 -0.861 3.622 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.237 -5.275 1.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.802 -1.276 4.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.401 -4.850 2.651 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.690 -2.858 4.099 1.00 0.00 H new ATOM 472 N GLU A 29 13.196 -6.088 -2.062 1.00 0.00 N ATOM 473 CA GLU A 29 12.799 -7.205 -2.969 1.00 0.00 C ATOM 474 C GLU A 29 12.249 -8.370 -2.141 1.00 0.00 C ATOM 475 O GLU A 29 12.852 -8.785 -1.171 1.00 0.00 O ATOM 476 CB GLU A 29 14.017 -7.681 -3.761 1.00 0.00 C ATOM 477 CG GLU A 29 14.438 -6.593 -4.747 1.00 0.00 C ATOM 478 CD GLU A 29 15.708 -7.031 -5.477 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.172 -8.128 -5.211 1.00 0.00 O ATOM 480 OE2 GLU A 29 16.194 -6.263 -6.290 1.00 0.00 O ATOM 0 H GLU A 29 14.200 -5.922 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 29 12.031 -6.852 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.839 -7.910 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.780 -8.600 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.639 -6.408 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.614 -5.656 -4.218 1.00 0.00 H new ATOM 558 N ILE A 35 3.954 -12.516 -2.902 1.00 0.00 N ATOM 559 CA ILE A 35 4.177 -11.010 -2.841 1.00 0.00 C ATOM 560 C ILE A 35 5.343 -10.635 -3.762 1.00 0.00 C ATOM 561 O ILE A 35 6.357 -11.305 -3.808 1.00 0.00 O ATOM 562 CB ILE A 35 4.477 -10.518 -1.406 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.156 -10.476 -0.608 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.125 -9.124 -1.410 1.00 0.00 C ATOM 565 CD1 ILE A 35 3.450 -10.538 0.892 1.00 0.00 C ATOM 0 HA ILE A 35 3.257 -10.526 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 35 5.181 -11.209 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.609 -9.563 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.520 -11.312 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.321 -8.811 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.063 -9.160 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.451 -8.411 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.513 -10.508 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.978 -11.463 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.068 -9.687 1.177 1.00 0.00 H new ATOM 577 N SER A 36 5.199 -9.563 -4.491 1.00 0.00 N ATOM 578 CA SER A 36 6.290 -9.120 -5.403 1.00 0.00 C ATOM 579 C SER A 36 7.336 -8.341 -4.603 1.00 0.00 C ATOM 580 O SER A 36 8.507 -8.682 -4.575 1.00 0.00 O ATOM 581 CB SER A 36 5.702 -8.207 -6.483 1.00 0.00 C ATOM 582 OG SER A 36 6.746 -7.439 -7.069 1.00 0.00 O ATOM 0 H SER A 36 4.368 -8.972 -4.494 1.00 0.00 H new ATOM 0 HA SER A 36 6.756 -9.990 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.201 -8.803 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.950 -7.548 -6.049 1.00 0.00 H new ATOM 0 HG SER A 36 6.373 -6.855 -7.762 1.00 0.00 H new ATOM 588 N GLN A 37 6.920 -7.286 -3.955 1.00 0.00 N ATOM 589 CA GLN A 37 7.884 -6.473 -3.165 1.00 0.00 C ATOM 590 C GLN A 37 7.150 -5.629 -2.121 1.00 0.00 C ATOM 591 O GLN A 37 5.949 -5.445 -2.174 1.00 0.00 O ATOM 592 CB GLN A 37 8.659 -5.556 -4.111 1.00 0.00 C ATOM 593 CG GLN A 37 7.674 -4.649 -4.848 1.00 0.00 C ATOM 594 CD GLN A 37 8.414 -3.841 -5.914 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.530 -2.636 -5.807 1.00 0.00 O ATOM 596 NE2 GLN A 37 8.920 -4.455 -6.947 1.00 0.00 N ATOM 0 H GLN A 37 5.956 -6.954 -3.940 1.00 0.00 H new ATOM 0 HA GLN A 37 8.571 -7.143 -2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.375 -4.956 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.230 -6.149 -4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.890 -5.248 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.186 -3.977 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.823 -5.466 -7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.413 -3.924 -7.665 1.00 0.00 H new ATOM 605 N VAL A 38 7.886 -5.107 -1.177 1.00 0.00 N ATOM 606 CA VAL A 38 7.280 -4.255 -0.110 1.00 0.00 C ATOM 607 C VAL A 38 8.202 -3.064 0.155 1.00 0.00 C ATOM 608 O VAL A 38 9.395 -3.118 -0.090 1.00 0.00 O ATOM 609 CB VAL A 38 7.098 -5.079 1.174 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.391 -5.831 1.500 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.743 -4.152 2.340 1.00 0.00 C ATOM 0 H VAL A 38 8.895 -5.236 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 38 6.303 -3.895 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 38 6.292 -5.796 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.254 -6.413 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.640 -6.500 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.201 -5.116 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.615 -4.742 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.545 -3.429 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.816 -3.625 2.116 1.00 0.00 H new ATOM 621 N GLY A 39 7.660 -1.984 0.646 1.00 0.00 N ATOM 622 CA GLY A 39 8.518 -0.798 0.915 1.00 0.00 C ATOM 623 C GLY A 39 7.673 0.364 1.429 1.00 0.00 C ATOM 624 O GLY A 39 6.606 0.183 1.987 1.00 0.00 O ATOM 0 H GLY A 39 6.671 -1.872 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.282 -1.053 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.038 -0.503 0.003 1.00 0.00 H new ATOM 628 N LEU A 40 8.158 1.562 1.238 1.00 0.00 N ATOM 629 CA LEU A 40 7.420 2.769 1.701 1.00 0.00 C ATOM 630 C LEU A 40 7.452 3.837 0.610 1.00 0.00 C ATOM 631 O LEU A 40 8.335 3.861 -0.225 1.00 0.00 O ATOM 632 CB LEU A 40 8.079 3.318 2.975 1.00 0.00 C ATOM 633 CG LEU A 40 8.009 2.272 4.116 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.284 1.412 4.127 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.883 2.988 5.470 1.00 0.00 C ATOM 0 H LEU A 40 9.046 1.756 0.775 1.00 0.00 H new ATOM 0 HA LEU A 40 6.386 2.500 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.119 3.575 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.579 4.236 3.284 1.00 0.00 H new ATOM 0 HG LEU A 40 7.141 1.634 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.223 0.681 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.381 0.893 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.153 2.052 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.834 2.249 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.749 3.631 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.976 3.592 5.479 1.00 0.00 H new ATOM 647 N LEU A 41 6.488 4.719 0.614 1.00 0.00 N ATOM 648 CA LEU A 41 6.440 5.805 -0.413 1.00 0.00 C ATOM 649 C LEU A 41 6.738 7.136 0.275 1.00 0.00 C ATOM 650 O LEU A 41 6.128 7.485 1.266 1.00 0.00 O ATOM 651 CB LEU A 41 5.045 5.845 -1.039 1.00 0.00 C ATOM 652 CG LEU A 41 4.690 4.457 -1.583 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.275 4.486 -2.167 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.698 4.045 -2.671 1.00 0.00 C ATOM 0 H LEU A 41 5.724 4.735 1.290 1.00 0.00 H new ATOM 0 HA LEU A 41 7.176 5.621 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.310 6.155 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.016 6.581 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 41 4.732 3.730 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.021 3.499 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.565 4.764 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.230 5.216 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.438 3.057 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.669 4.768 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.701 4.018 -2.246 1.00 0.00 H new ATOM 666 N GLY A 42 7.681 7.870 -0.251 1.00 0.00 N ATOM 667 CA GLY A 42 8.058 9.185 0.339 1.00 0.00 C ATOM 668 C GLY A 42 7.281 10.302 -0.359 1.00 0.00 C ATOM 669 O GLY A 42 7.572 10.662 -1.484 1.00 0.00 O ATOM 0 H GLY A 42 8.215 7.608 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.842 9.191 1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.130 9.350 0.229 1.00 0.00 H new ATOM 673 N ASP A 43 6.295 10.855 0.307 1.00 0.00 N ATOM 674 CA ASP A 43 5.482 11.962 -0.294 1.00 0.00 C ATOM 675 C ASP A 43 5.738 13.258 0.475 1.00 0.00 C ATOM 676 O ASP A 43 6.321 13.258 1.541 1.00 0.00 O ATOM 677 CB ASP A 43 3.994 11.617 -0.215 1.00 0.00 C ATOM 678 CG ASP A 43 3.194 12.619 -1.053 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.789 13.254 -1.910 1.00 0.00 O ATOM 680 OD2 ASP A 43 2.003 12.735 -0.823 1.00 0.00 O ATOM 0 H ASP A 43 6.016 10.584 1.250 1.00 0.00 H new ATOM 0 HA ASP A 43 5.769 12.089 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.824 10.604 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.658 11.643 0.822 1.00 0.00 H new ATOM 685 N GLU A 44 5.299 14.359 -0.062 1.00 0.00 N ATOM 686 CA GLU A 44 5.499 15.670 0.619 1.00 0.00 C ATOM 687 C GLU A 44 4.568 15.777 1.830 1.00 0.00 C ATOM 688 O GLU A 44 4.766 16.595 2.707 1.00 0.00 O ATOM 689 CB GLU A 44 5.180 16.792 -0.370 1.00 0.00 C ATOM 690 CG GLU A 44 5.488 18.151 0.261 1.00 0.00 C ATOM 691 CD GLU A 44 5.217 19.254 -0.763 1.00 0.00 C ATOM 692 OE1 GLU A 44 5.091 18.930 -1.932 1.00 0.00 O ATOM 693 OE2 GLU A 44 5.138 20.403 -0.360 1.00 0.00 O ATOM 0 H GLU A 44 4.805 14.409 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 44 6.531 15.752 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.766 16.663 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.130 16.746 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.872 18.302 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.528 18.187 0.586 1.00 0.00 H new ATOM 700 N THR A 45 3.554 14.957 1.894 1.00 0.00 N ATOM 701 CA THR A 45 2.614 15.022 3.052 1.00 0.00 C ATOM 702 C THR A 45 3.060 14.036 4.132 1.00 0.00 C ATOM 703 O THR A 45 2.585 14.072 5.251 1.00 0.00 O ATOM 704 CB THR A 45 1.206 14.653 2.576 1.00 0.00 C ATOM 705 OG1 THR A 45 1.172 13.276 2.224 1.00 0.00 O ATOM 706 CG2 THR A 45 0.845 15.503 1.355 1.00 0.00 C ATOM 0 H THR A 45 3.335 14.246 1.196 1.00 0.00 H new ATOM 0 HA THR A 45 2.612 16.031 3.465 1.00 0.00 H new ATOM 0 HB THR A 45 0.488 14.841 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.448 13.170 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.157 15.243 1.014 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.873 16.559 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.561 15.314 0.555 1.00 0.00 H new ATOM 714 N GLY A 46 3.974 13.159 3.814 1.00 0.00 N ATOM 715 CA GLY A 46 4.450 12.178 4.835 1.00 0.00 C ATOM 716 C GLY A 46 4.918 10.898 4.141 1.00 0.00 C ATOM 717 O GLY A 46 5.407 10.928 3.029 1.00 0.00 O ATOM 0 H GLY A 46 4.411 13.078 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.267 12.609 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.647 11.950 5.536 1.00 0.00 H new ATOM 721 N ILE A 47 4.768 9.770 4.794 1.00 0.00 N ATOM 722 CA ILE A 47 5.197 8.469 4.185 1.00 0.00 C ATOM 723 C ILE A 47 4.114 7.414 4.416 1.00 0.00 C ATOM 724 O ILE A 47 3.276 7.550 5.284 1.00 0.00 O ATOM 725 CB ILE A 47 6.505 8.004 4.834 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.275 7.723 6.340 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.562 9.109 4.678 1.00 0.00 C ATOM 728 CD1 ILE A 47 5.648 6.331 6.585 1.00 0.00 C ATOM 0 H ILE A 47 4.365 9.694 5.728 1.00 0.00 H new ATOM 0 HA ILE A 47 5.351 8.606 3.115 1.00 0.00 H new ATOM 0 HB ILE A 47 6.847 7.090 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.225 7.790 6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.623 8.491 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.496 8.786 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.728 9.307 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.213 10.018 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.506 6.179 7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.685 6.272 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.311 5.559 6.194 1.00 0.00 H new ATOM 740 N ILE A 48 4.126 6.356 3.645 1.00 0.00 N ATOM 741 CA ILE A 48 3.101 5.283 3.828 1.00 0.00 C ATOM 742 C ILE A 48 3.659 3.942 3.331 1.00 0.00 C ATOM 743 O ILE A 48 4.443 3.890 2.406 1.00 0.00 O ATOM 744 CB ILE A 48 1.832 5.644 3.051 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.796 4.534 3.231 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.157 5.814 1.569 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.567 5.032 2.751 1.00 0.00 C ATOM 0 H ILE A 48 4.800 6.189 2.898 1.00 0.00 H new ATOM 0 HA ILE A 48 2.857 5.194 4.887 1.00 0.00 H new ATOM 0 HB ILE A 48 1.430 6.583 3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.092 3.650 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.740 4.240 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.248 6.071 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.891 6.611 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.564 4.882 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.308 4.243 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.862 5.904 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.504 5.305 1.698 1.00 0.00 H new ATOM 759 N LYS A 49 3.262 2.858 3.945 1.00 0.00 N ATOM 760 CA LYS A 49 3.770 1.520 3.519 1.00 0.00 C ATOM 761 C LYS A 49 2.977 1.046 2.299 1.00 0.00 C ATOM 762 O LYS A 49 1.902 1.544 2.029 1.00 0.00 O ATOM 763 CB LYS A 49 3.581 0.529 4.668 1.00 0.00 C ATOM 764 CG LYS A 49 4.338 -0.762 4.355 1.00 0.00 C ATOM 765 CD LYS A 49 4.286 -1.687 5.569 1.00 0.00 C ATOM 766 CE LYS A 49 5.084 -2.955 5.271 1.00 0.00 C ATOM 767 NZ LYS A 49 4.401 -3.731 4.196 1.00 0.00 N ATOM 0 H LYS A 49 2.606 2.842 4.726 1.00 0.00 H new ATOM 0 HA LYS A 49 4.827 1.587 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.947 0.961 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.521 0.317 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.896 -1.255 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.373 -0.537 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.697 -1.182 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.252 -1.941 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.096 -2.696 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.173 -3.562 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.810 -4.686 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.385 -3.800 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.531 -3.249 3.284 1.00 0.00 H new ATOM 781 N PHE A 50 3.457 0.069 1.573 1.00 0.00 N ATOM 782 CA PHE A 50 2.677 -0.432 0.406 1.00 0.00 C ATOM 783 C PHE A 50 3.192 -1.834 0.049 1.00 0.00 C ATOM 784 O PHE A 50 4.347 -2.151 0.280 1.00 0.00 O ATOM 785 CB PHE A 50 2.852 0.515 -0.792 1.00 0.00 C ATOM 786 CG PHE A 50 4.224 0.345 -1.410 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.336 0.997 -0.860 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.378 -0.463 -2.543 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.599 0.836 -1.447 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.639 -0.621 -3.127 1.00 0.00 C ATOM 791 CZ PHE A 50 6.750 0.030 -2.580 1.00 0.00 C ATOM 0 H PHE A 50 4.348 -0.399 1.737 1.00 0.00 H new ATOM 0 HA PHE A 50 1.617 -0.475 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.084 0.312 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.718 1.547 -0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.220 1.622 0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.521 -0.965 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.458 1.336 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.755 -1.246 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.723 -0.090 -3.032 1.00 0.00 H new ATOM 801 N THR A 51 2.352 -2.674 -0.500 1.00 0.00 N ATOM 802 CA THR A 51 2.796 -4.057 -0.868 1.00 0.00 C ATOM 803 C THR A 51 2.211 -4.435 -2.233 1.00 0.00 C ATOM 804 O THR A 51 1.041 -4.239 -2.495 1.00 0.00 O ATOM 805 CB THR A 51 2.311 -5.054 0.191 1.00 0.00 C ATOM 806 OG1 THR A 51 2.543 -6.379 -0.267 1.00 0.00 O ATOM 807 CG2 THR A 51 0.817 -4.854 0.439 1.00 0.00 C ATOM 0 H THR A 51 1.376 -2.464 -0.710 1.00 0.00 H new ATOM 0 HA THR A 51 3.884 -4.085 -0.918 1.00 0.00 H new ATOM 0 HB THR A 51 2.856 -4.889 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.235 -7.018 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.475 -5.564 1.192 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.639 -3.838 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.269 -5.017 -0.489 1.00 0.00 H new ATOM 815 N ILE A 52 3.030 -4.969 -3.103 1.00 0.00 N ATOM 816 CA ILE A 52 2.552 -5.366 -4.467 1.00 0.00 C ATOM 817 C ILE A 52 2.421 -6.886 -4.538 1.00 0.00 C ATOM 818 O ILE A 52 3.321 -7.616 -4.174 1.00 0.00 O ATOM 819 CB ILE A 52 3.551 -4.889 -5.519 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.667 -3.363 -5.442 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.056 -5.296 -6.907 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.820 -2.887 -6.326 1.00 0.00 C ATOM 0 H ILE A 52 4.018 -5.149 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 52 1.581 -4.909 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 52 4.526 -5.340 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.734 -2.901 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.835 -3.053 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.767 -4.957 -7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.964 -6.381 -6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.084 -4.841 -7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.899 -1.801 -6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.751 -3.337 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.633 -3.183 -7.358 1.00 0.00 H new ATOM 834 N TRP A 53 1.297 -7.374 -4.991 1.00 0.00 N ATOM 835 CA TRP A 53 1.100 -8.850 -5.068 1.00 0.00 C ATOM 836 C TRP A 53 1.743 -9.416 -6.337 1.00 0.00 C ATOM 837 O TRP A 53 1.663 -8.842 -7.405 1.00 0.00 O ATOM 838 CB TRP A 53 -0.403 -9.147 -5.085 1.00 0.00 C ATOM 839 CG TRP A 53 -0.969 -8.917 -3.720 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.719 -7.851 -3.354 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.840 -9.754 -2.538 1.00 0.00 C ATOM 842 NE1 TRP A 53 -2.060 -7.985 -2.019 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.541 -9.142 -1.473 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.190 -10.975 -2.292 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.591 -9.722 -0.205 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.237 -11.562 -1.019 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.938 -10.937 0.023 1.00 0.00 C ATOM 0 H TRP A 53 0.507 -6.814 -5.311 1.00 0.00 H new ATOM 0 HA TRP A 53 1.571 -9.318 -4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.903 -8.506 -5.811 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.578 -10.177 -5.395 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.004 -7.032 -3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.625 -7.312 -1.502 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.350 -11.465 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.130 -9.236 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.269 -12.499 -0.840 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.973 -11.394 1.001 1.00 0.00 H new ATOM 858 N LYS A 54 2.376 -10.553 -6.216 1.00 0.00 N ATOM 859 CA LYS A 54 3.029 -11.191 -7.394 1.00 0.00 C ATOM 860 C LYS A 54 1.968 -11.531 -8.441 1.00 0.00 C ATOM 861 O LYS A 54 2.222 -11.512 -9.629 1.00 0.00 O ATOM 862 CB LYS A 54 3.729 -12.475 -6.942 1.00 0.00 C ATOM 863 CG LYS A 54 4.514 -13.075 -8.110 1.00 0.00 C ATOM 864 CD LYS A 54 5.255 -14.325 -7.630 1.00 0.00 C ATOM 865 CE LYS A 54 6.054 -14.923 -8.789 1.00 0.00 C ATOM 866 NZ LYS A 54 7.065 -13.934 -9.259 1.00 0.00 N ATOM 0 H LYS A 54 2.469 -11.071 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 54 3.758 -10.507 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.402 -12.261 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.993 -13.193 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.837 -13.330 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.223 -12.345 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.923 -14.071 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.544 -15.058 -7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.548 -15.840 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.384 -15.191 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.812 -14.427 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.606 -13.235 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.483 -13.449 -8.440 1.00 0.00 H new ATOM 880 N ASN A 55 0.780 -11.848 -8.006 1.00 0.00 N ATOM 881 CA ASN A 55 -0.300 -12.199 -8.970 1.00 0.00 C ATOM 882 C ASN A 55 -0.596 -11.000 -9.875 1.00 0.00 C ATOM 883 O ASN A 55 -1.301 -11.114 -10.858 1.00 0.00 O ATOM 884 CB ASN A 55 -1.561 -12.579 -8.193 1.00 0.00 C ATOM 885 CG ASN A 55 -1.234 -13.710 -7.217 1.00 0.00 C ATOM 886 OD1 ASN A 55 -0.682 -14.721 -7.605 1.00 0.00 O ATOM 887 ND2 ASN A 55 -1.548 -13.584 -5.956 1.00 0.00 N ATOM 0 H ASN A 55 0.510 -11.879 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 55 0.020 -13.040 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.942 -11.714 -7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.345 -12.893 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.330 -14.333 -5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.011 -12.737 -5.628 1.00 0.00 H new ATOM 894 N ALA A 56 -0.060 -9.853 -9.558 1.00 0.00 N ATOM 895 CA ALA A 56 -0.309 -8.657 -10.412 1.00 0.00 C ATOM 896 C ALA A 56 0.664 -8.682 -11.596 1.00 0.00 C ATOM 897 O ALA A 56 0.426 -8.081 -12.626 1.00 0.00 O ATOM 898 CB ALA A 56 -0.088 -7.390 -9.581 1.00 0.00 C ATOM 0 H ALA A 56 0.538 -9.692 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.334 -8.666 -10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.269 -6.512 -10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.776 -7.385 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.938 -7.370 -9.214 1.00 0.00 H new ATOM 904 N GLU A 57 1.755 -9.388 -11.454 1.00 0.00 N ATOM 905 CA GLU A 57 2.752 -9.473 -12.561 1.00 0.00 C ATOM 906 C GLU A 57 3.047 -8.079 -13.105 1.00 0.00 C ATOM 907 O GLU A 57 3.022 -7.853 -14.298 1.00 0.00 O ATOM 908 CB GLU A 57 2.199 -10.355 -13.680 1.00 0.00 C ATOM 909 CG GLU A 57 2.113 -11.796 -13.180 1.00 0.00 C ATOM 910 CD GLU A 57 1.501 -12.685 -14.262 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.284 -12.764 -14.318 1.00 0.00 O ATOM 912 OE2 GLU A 57 2.258 -13.276 -15.013 1.00 0.00 O ATOM 0 H GLU A 57 1.999 -9.912 -10.614 1.00 0.00 H new ATOM 0 HA GLU A 57 3.675 -9.908 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.214 -10.003 -13.985 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.843 -10.299 -14.557 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.107 -12.159 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.508 -11.841 -12.275 1.00 0.00 H new ATOM 919 N LEU A 58 3.325 -7.138 -12.238 1.00 0.00 N ATOM 920 CA LEU A 58 3.623 -5.745 -12.703 1.00 0.00 C ATOM 921 C LEU A 58 5.139 -5.483 -12.628 1.00 0.00 C ATOM 922 O LEU A 58 5.824 -6.068 -11.810 1.00 0.00 O ATOM 923 CB LEU A 58 2.885 -4.746 -11.812 1.00 0.00 C ATOM 924 CG LEU A 58 1.393 -5.089 -11.784 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.684 -4.171 -10.786 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.779 -4.902 -13.180 1.00 0.00 C ATOM 0 H LEU A 58 3.359 -7.272 -11.227 1.00 0.00 H new ATOM 0 HA LEU A 58 3.292 -5.629 -13.735 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.294 -4.773 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.029 -3.733 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 58 1.270 -6.129 -11.482 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.379 -4.411 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.111 -4.314 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.815 -3.133 -11.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.282 -5.149 -13.147 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.901 -3.866 -13.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.282 -5.558 -13.890 1.00 0.00 H new ATOM 938 N PRO A 59 5.671 -4.603 -13.461 1.00 0.00 N ATOM 939 CA PRO A 59 7.136 -4.279 -13.449 1.00 0.00 C ATOM 940 C PRO A 59 7.640 -3.869 -12.052 1.00 0.00 C ATOM 941 O PRO A 59 6.929 -3.267 -11.272 1.00 0.00 O ATOM 942 CB PRO A 59 7.273 -3.098 -14.432 1.00 0.00 C ATOM 943 CG PRO A 59 6.070 -3.167 -15.320 1.00 0.00 C ATOM 944 CD PRO A 59 4.955 -3.843 -14.512 1.00 0.00 C ATOM 0 HA PRO A 59 7.733 -5.148 -13.727 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.312 -2.148 -13.899 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.193 -3.176 -15.012 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.766 -2.169 -15.636 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.290 -3.735 -16.224 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.277 -3.108 -14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.353 -4.501 -15.139 1.00 0.00 H new ATOM 952 N LEU A 60 8.865 -4.205 -11.737 1.00 0.00 N ATOM 953 CA LEU A 60 9.430 -3.855 -10.399 1.00 0.00 C ATOM 954 C LEU A 60 9.642 -2.343 -10.295 1.00 0.00 C ATOM 955 O LEU A 60 10.016 -1.685 -11.245 1.00 0.00 O ATOM 956 CB LEU A 60 10.771 -4.572 -10.228 1.00 0.00 C ATOM 957 CG LEU A 60 10.581 -6.075 -10.465 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.931 -6.783 -10.329 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.584 -6.650 -9.443 1.00 0.00 C ATOM 0 H LEU A 60 9.502 -4.710 -12.353 1.00 0.00 H new ATOM 0 HA LEU A 60 8.736 -4.166 -9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.502 -4.172 -10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.164 -4.398 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 60 10.185 -6.234 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.800 -7.852 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.628 -6.383 -11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.328 -6.619 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.456 -7.718 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.966 -6.493 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.623 -6.147 -9.550 1.00 0.00 H new ATOM 971 N LEU A 61 9.398 -1.792 -9.137 1.00 0.00 N ATOM 972 CA LEU A 61 9.567 -0.325 -8.942 1.00 0.00 C ATOM 973 C LEU A 61 11.040 -0.008 -8.665 1.00 0.00 C ATOM 974 O LEU A 61 11.733 -0.755 -8.005 1.00 0.00 O ATOM 975 CB LEU A 61 8.716 0.117 -7.749 1.00 0.00 C ATOM 976 CG LEU A 61 7.242 0.165 -8.162 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.772 -1.239 -8.578 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.405 0.663 -6.981 1.00 0.00 C ATOM 0 H LEU A 61 9.086 -2.301 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 61 9.251 0.205 -9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.849 -0.575 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.039 1.098 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 61 7.121 0.843 -9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.723 -1.200 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.371 -1.589 -9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.889 -1.925 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.354 0.699 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.526 -0.016 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.737 1.661 -6.695 1.00 0.00 H new ATOM 990 N GLU A 62 11.522 1.099 -9.167 1.00 0.00 N ATOM 991 CA GLU A 62 12.951 1.479 -8.941 1.00 0.00 C ATOM 992 C GLU A 62 13.057 2.389 -7.712 1.00 0.00 C ATOM 993 O GLU A 62 12.311 3.334 -7.556 1.00 0.00 O ATOM 994 CB GLU A 62 13.468 2.206 -10.180 1.00 0.00 C ATOM 995 CG GLU A 62 13.611 1.215 -11.338 1.00 0.00 C ATOM 996 CD GLU A 62 14.743 0.232 -11.028 1.00 0.00 C ATOM 997 OE1 GLU A 62 15.587 0.573 -10.215 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.745 -0.842 -11.604 1.00 0.00 O ATOM 0 H GLU A 62 10.985 1.761 -9.727 1.00 0.00 H new ATOM 0 HA GLU A 62 13.550 0.586 -8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.782 3.007 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.430 2.671 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.676 0.675 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.822 1.749 -12.265 1.00 0.00 H new ATOM 1005 N GLN A 63 13.972 2.095 -6.830 1.00 0.00 N ATOM 1006 CA GLN A 63 14.127 2.917 -5.597 1.00 0.00 C ATOM 1007 C GLN A 63 14.672 4.308 -5.937 1.00 0.00 C ATOM 1008 O GLN A 63 15.561 4.455 -6.752 1.00 0.00 O ATOM 1009 CB GLN A 63 15.095 2.216 -4.647 1.00 0.00 C ATOM 1010 CG GLN A 63 15.123 2.964 -3.318 1.00 0.00 C ATOM 1011 CD GLN A 63 16.017 2.221 -2.327 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.345 1.069 -2.531 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.424 2.835 -1.252 1.00 0.00 N ATOM 0 H GLN A 63 14.624 1.315 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 63 13.151 3.031 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.785 1.183 -4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.094 2.187 -5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.494 3.978 -3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.113 3.051 -2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.148 3.802 -1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.018 2.348 -0.581 1.00 0.00 H new ATOM 1022 N GLY A 64 14.156 5.331 -5.303 1.00 0.00 N ATOM 1023 CA GLY A 64 14.651 6.714 -5.574 1.00 0.00 C ATOM 1024 C GLY A 64 13.921 7.299 -6.782 1.00 0.00 C ATOM 1025 O GLY A 64 14.013 8.476 -7.064 1.00 0.00 O ATOM 0 H GLY A 64 13.412 5.267 -4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.490 7.345 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.725 6.695 -5.761 1.00 0.00 H new ATOM 1029 N GLU A 65 13.208 6.481 -7.508 1.00 0.00 N ATOM 1030 CA GLU A 65 12.481 6.979 -8.715 1.00 0.00 C ATOM 1031 C GLU A 65 11.023 7.301 -8.371 1.00 0.00 C ATOM 1032 O GLU A 65 10.465 6.808 -7.403 1.00 0.00 O ATOM 1033 CB GLU A 65 12.525 5.905 -9.805 1.00 0.00 C ATOM 1034 CG GLU A 65 13.971 5.708 -10.274 1.00 0.00 C ATOM 1035 CD GLU A 65 14.469 6.979 -10.967 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.797 7.436 -11.876 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.514 7.473 -10.576 1.00 0.00 O ATOM 0 H GLU A 65 13.096 5.485 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 65 12.963 7.890 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.125 4.966 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.896 6.199 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.610 5.473 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.029 4.863 -10.960 1.00 0.00 H new ATOM 1044 N SER A 66 10.412 8.129 -9.180 1.00 0.00 N ATOM 1045 CA SER A 66 8.990 8.512 -8.956 1.00 0.00 C ATOM 1046 C SER A 66 8.067 7.490 -9.619 1.00 0.00 C ATOM 1047 O SER A 66 8.373 6.938 -10.661 1.00 0.00 O ATOM 1048 CB SER A 66 8.741 9.896 -9.555 1.00 0.00 C ATOM 1049 OG SER A 66 9.322 9.953 -10.851 1.00 0.00 O ATOM 0 H SER A 66 10.846 8.560 -9.996 1.00 0.00 H new ATOM 0 HA SER A 66 8.784 8.534 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.671 10.093 -9.614 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.172 10.666 -8.915 1.00 0.00 H new ATOM 0 HG SER A 66 9.482 10.888 -11.097 1.00 0.00 H new ATOM 1055 N TYR A 67 6.931 7.240 -9.023 1.00 0.00 N ATOM 1056 CA TYR A 67 5.972 6.257 -9.606 1.00 0.00 C ATOM 1057 C TYR A 67 4.538 6.750 -9.409 1.00 0.00 C ATOM 1058 O TYR A 67 4.212 7.412 -8.441 1.00 0.00 O ATOM 1059 CB TYR A 67 6.143 4.891 -8.916 1.00 0.00 C ATOM 1060 CG TYR A 67 7.272 4.125 -9.565 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.058 3.471 -10.785 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.528 4.066 -8.951 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.098 2.759 -11.390 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.569 3.354 -9.557 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.355 2.700 -10.777 1.00 0.00 C ATOM 1066 OH TYR A 67 10.382 1.998 -11.374 1.00 0.00 O ATOM 0 H TYR A 67 6.625 7.677 -8.153 1.00 0.00 H new ATOM 0 HA TYR A 67 6.175 6.153 -10.672 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.351 5.033 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.217 4.320 -8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.089 3.517 -11.259 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.694 4.570 -8.010 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.932 2.255 -12.330 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.539 3.309 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 67 10.976 2.622 -11.842 1.00 0.00 H new ATOM 1076 N LEU A 68 3.688 6.402 -10.335 1.00 0.00 N ATOM 1077 CA LEU A 68 2.251 6.797 -10.261 1.00 0.00 C ATOM 1078 C LEU A 68 1.424 5.563 -9.909 1.00 0.00 C ATOM 1079 O LEU A 68 1.585 4.516 -10.502 1.00 0.00 O ATOM 1080 CB LEU A 68 1.806 7.355 -11.614 1.00 0.00 C ATOM 1081 CG LEU A 68 0.297 7.632 -11.602 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.082 8.519 -10.404 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.096 8.340 -12.906 1.00 0.00 C ATOM 0 H LEU A 68 3.933 5.849 -11.157 1.00 0.00 H new ATOM 0 HA LEU A 68 2.110 7.564 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.350 8.274 -11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.047 6.645 -12.405 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.235 6.684 -11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.156 8.704 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.191 8.015 -9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.450 9.468 -10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.168 8.539 -12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.448 9.281 -12.987 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.152 7.703 -13.755 1.00 0.00 H new ATOM 1095 N LEU A 69 0.547 5.672 -8.942 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.295 4.505 -8.531 1.00 0.00 C ATOM 1097 C LEU A 69 -1.770 4.815 -8.804 1.00 0.00 C ATOM 1098 O LEU A 69 -2.364 5.658 -8.163 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.095 4.272 -7.036 1.00 0.00 C ATOM 1100 CG LEU A 69 1.401 4.180 -6.726 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.592 4.017 -5.217 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.016 2.976 -7.456 1.00 0.00 C ATOM 0 H LEU A 69 0.377 6.528 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.007 3.618 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.545 5.086 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.597 3.354 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 69 1.897 5.090 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.656 3.951 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.164 4.876 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.093 3.107 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.081 2.918 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.525 2.061 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.879 3.094 -8.531 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.357 4.133 -9.759 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.799 4.367 -10.104 1.00 0.00 C ATOM 1116 C ARG A 70 -4.630 3.119 -9.811 1.00 0.00 C ATOM 1117 O ARG A 70 -4.143 2.007 -9.836 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.925 4.716 -11.593 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.476 6.157 -11.822 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.534 6.481 -13.315 1.00 0.00 C ATOM 1121 NE ARG A 70 -3.202 7.918 -13.521 1.00 0.00 N ATOM 1122 CZ ARG A 70 -3.082 8.395 -14.728 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.251 7.614 -15.761 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.794 9.657 -14.905 1.00 0.00 N ATOM 0 H ARG A 70 -1.895 3.417 -10.320 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.170 5.193 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.316 4.036 -12.189 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.957 4.590 -11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.117 6.841 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.462 6.296 -11.448 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.832 5.852 -13.863 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.528 6.266 -13.707 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.068 8.530 -12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.477 6.629 -15.624 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.157 7.989 -16.705 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.663 10.268 -14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.700 10.031 -15.849 1.00 0.00 H new ATOM 1138 N SER A 71 -5.893 3.313 -9.538 1.00 0.00 N ATOM 1139 CA SER A 71 -6.800 2.168 -9.250 1.00 0.00 C ATOM 1140 C SER A 71 -6.190 1.249 -8.186 1.00 0.00 C ATOM 1141 O SER A 71 -6.026 0.065 -8.404 1.00 0.00 O ATOM 1142 CB SER A 71 -7.050 1.374 -10.536 1.00 0.00 C ATOM 1143 OG SER A 71 -5.831 1.218 -11.244 1.00 0.00 O ATOM 0 H SER A 71 -6.339 4.230 -9.502 1.00 0.00 H new ATOM 0 HA SER A 71 -7.744 2.558 -8.871 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.470 0.397 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.780 1.891 -11.159 1.00 0.00 H new ATOM 0 HG SER A 71 -5.093 1.116 -10.607 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.868 1.783 -7.032 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.283 0.945 -5.937 1.00 0.00 C ATOM 1151 C VAL A 72 -6.286 0.868 -4.788 1.00 0.00 C ATOM 1152 O VAL A 72 -7.260 1.595 -4.753 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.970 1.563 -5.440 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.846 1.242 -6.428 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.128 3.080 -5.319 1.00 0.00 C ATOM 0 H VAL A 72 -5.986 2.769 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.073 -0.055 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.723 1.147 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.914 1.682 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.730 0.161 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.093 1.654 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.194 3.516 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.378 3.499 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.925 3.307 -4.611 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.060 -0.024 -3.857 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.998 -0.186 -2.703 1.00 0.00 C ATOM 1167 C VAL A 73 -6.216 -0.071 -1.392 1.00 0.00 C ATOM 1168 O VAL A 73 -5.035 -0.352 -1.328 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.676 -1.559 -2.796 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.620 -2.647 -3.005 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.453 -1.841 -1.506 1.00 0.00 C ATOM 0 H VAL A 73 -5.258 -0.654 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.760 0.593 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.365 -1.559 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.108 -3.620 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.074 -2.452 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.925 -2.645 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.933 -2.817 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.767 -1.834 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.213 -1.073 -1.364 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.876 0.354 -0.350 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.199 0.512 0.971 1.00 0.00 C ATOM 1183 C VAL A 74 -6.373 -0.765 1.797 1.00 0.00 C ATOM 1184 O VAL A 74 -7.462 -1.285 1.928 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.822 1.698 1.707 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.133 1.883 3.060 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.639 2.960 0.862 1.00 0.00 C ATOM 0 H VAL A 74 -7.866 0.601 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.134 0.691 0.822 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.884 1.513 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.579 2.729 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.258 0.980 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.071 2.072 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.081 3.812 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.576 3.142 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.130 2.827 -0.102 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.305 -1.275 2.360 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.397 -2.521 3.185 1.00 0.00 C ATOM 1199 C GLY A 75 -5.337 -2.160 4.672 1.00 0.00 C ATOM 1200 O GLY A 75 -4.702 -1.201 5.062 1.00 0.00 O ATOM 0 H GLY A 75 -4.368 -0.880 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.326 -3.046 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.581 -3.198 2.932 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.994 -2.923 5.505 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.974 -2.633 6.971 1.00 0.00 C ATOM 1206 C GLU A 76 -4.921 -3.520 7.638 1.00 0.00 C ATOM 1207 O GLU A 76 -5.104 -4.714 7.776 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.350 -2.951 7.560 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.369 -2.599 9.047 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.765 -2.862 9.614 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -9.552 -3.495 8.928 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -9.025 -2.428 10.725 1.00 0.00 O ATOM 0 H GLU A 76 -6.545 -3.737 5.234 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.734 -1.584 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.120 -2.388 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.579 -4.008 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.629 -3.194 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.099 -1.552 9.188 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.816 -2.947 8.049 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.737 -3.751 8.706 1.00 0.00 C ATOM 1221 C TYR A 77 -2.716 -3.439 10.206 1.00 0.00 C ATOM 1222 O TYR A 77 -2.325 -2.368 10.622 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.391 -3.380 8.076 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.296 -4.225 8.678 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.132 -5.553 8.264 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.555 -3.684 9.647 1.00 0.00 C ATOM 1227 CE1 TYR A 77 0.884 -6.339 8.821 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.571 -4.468 10.204 1.00 0.00 C ATOM 1229 CZ TYR A 77 1.735 -5.796 9.791 1.00 0.00 C ATOM 1230 OH TYR A 77 2.737 -6.570 10.339 1.00 0.00 O ATOM 0 H TYR A 77 -3.614 -1.951 7.957 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.923 -4.816 8.566 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.429 -3.532 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.180 -2.323 8.241 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.789 -5.971 7.515 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.428 -2.660 9.966 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.011 -7.363 8.503 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.228 -4.049 10.952 1.00 0.00 H new ATOM 0 HH TYR A 77 3.237 -6.041 10.995 1.00 0.00 H new ATOM 1240 N ASN A 78 -3.134 -4.379 11.016 1.00 0.00 N ATOM 1241 CA ASN A 78 -3.154 -4.173 12.498 1.00 0.00 C ATOM 1242 C ASN A 78 -3.593 -2.743 12.842 1.00 0.00 C ATOM 1243 O ASN A 78 -4.705 -2.341 12.565 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.757 -4.429 13.069 1.00 0.00 C ATOM 1245 CG ASN A 78 -1.778 -4.203 14.581 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -1.275 -3.209 15.065 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -2.345 -5.090 15.353 1.00 0.00 N ATOM 0 H ASN A 78 -3.467 -5.293 10.710 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.867 -4.871 12.936 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.442 -5.449 12.847 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.033 -3.763 12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.366 -4.948 16.363 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.767 -5.925 14.946 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.730 -1.977 13.457 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.090 -0.576 13.835 1.00 0.00 C ATOM 1256 C ASP A 79 -2.667 0.398 12.733 1.00 0.00 C ATOM 1257 O ASP A 79 -3.152 1.510 12.657 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.370 -0.209 15.132 1.00 0.00 C ATOM 1259 CG ASP A 79 -3.004 -0.960 16.304 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -4.099 -1.474 16.132 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -2.387 -1.008 17.355 1.00 0.00 O ATOM 0 H ASP A 79 -1.786 -2.263 13.716 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.170 -0.510 13.971 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.312 -0.461 15.056 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.430 0.866 15.301 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.754 -0.001 11.888 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.284 0.909 10.801 1.00 0.00 C ATOM 1268 C ARG A 80 -2.042 0.616 9.506 1.00 0.00 C ATOM 1269 O ARG A 80 -2.644 -0.427 9.342 1.00 0.00 O ATOM 1270 CB ARG A 80 0.219 0.699 10.566 1.00 0.00 C ATOM 1271 CG ARG A 80 1.023 1.080 11.831 1.00 0.00 C ATOM 1272 CD ARG A 80 1.229 -0.151 12.723 1.00 0.00 C ATOM 1273 NE ARG A 80 1.966 0.256 13.954 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.271 0.310 13.953 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.939 0.010 12.871 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.906 0.670 15.033 1.00 0.00 N ATOM 0 H ARG A 80 -1.312 -0.920 11.903 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.469 1.941 11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.411 -0.342 10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.549 1.304 9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.989 1.495 11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.495 1.855 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.266 -0.588 12.988 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.789 -0.916 12.185 1.00 0.00 H new ATOM 0 HE ARG A 80 1.449 0.493 14.800 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.441 -0.267 12.025 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.958 0.053 12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.384 0.909 15.876 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.925 0.713 15.035 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.008 1.540 8.584 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.711 1.360 7.279 1.00 0.00 C ATOM 1292 C PHE A 81 -1.671 1.227 6.168 1.00 0.00 C ATOM 1293 O PHE A 81 -0.563 1.712 6.282 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.591 2.583 7.020 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.710 2.612 8.032 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.862 1.847 7.819 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.595 3.398 9.187 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.900 1.868 8.758 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.634 3.418 10.125 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.786 2.654 9.911 1.00 0.00 C ATOM 0 H PHE A 81 -1.514 2.427 8.681 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.331 0.464 7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.997 3.495 7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.999 2.545 6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.950 1.240 6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.706 3.988 9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.789 1.278 8.593 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.546 4.024 11.015 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.587 2.670 10.635 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.013 0.569 5.095 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.042 0.401 3.975 1.00 0.00 C ATOM 1312 C GLN A 82 -1.809 0.314 2.654 1.00 0.00 C ATOM 1313 O GLN A 82 -2.995 0.051 2.635 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.232 -0.882 4.189 1.00 0.00 C ATOM 1315 CG GLN A 82 -1.172 -2.086 4.277 1.00 0.00 C ATOM 1316 CD GLN A 82 -0.345 -3.353 4.495 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.547 -3.376 5.320 1.00 0.00 O ATOM 1318 NE2 GLN A 82 -0.600 -4.414 3.782 1.00 0.00 N ATOM 0 H GLN A 82 -2.925 0.139 4.944 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.362 1.253 3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.472 -1.019 3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.356 -0.802 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.878 -1.952 5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.758 -2.173 3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.349 -4.395 3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.051 -5.263 3.917 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.138 0.529 1.550 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.821 0.456 0.222 1.00 0.00 C ATOM 1329 C VAL A 83 -1.458 -0.869 -0.451 1.00 0.00 C ATOM 1330 O VAL A 83 -0.300 -1.217 -0.569 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.350 1.622 -0.661 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.351 1.851 -1.797 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -1.243 2.891 0.186 1.00 0.00 C ATOM 0 H VAL A 83 -0.144 0.753 1.511 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.901 0.519 0.358 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.375 1.381 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.012 2.679 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.426 0.948 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.329 2.089 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.909 3.719 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.218 3.128 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.525 2.732 0.991 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.443 -1.612 -0.888 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.172 -2.923 -1.554 1.00 0.00 C ATOM 1345 C GLN A 84 -2.427 -2.791 -3.054 1.00 0.00 C ATOM 1346 O GLN A 84 -3.498 -2.409 -3.482 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.113 -3.981 -0.977 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.776 -4.208 0.496 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.762 -5.209 1.096 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -3.393 -6.317 1.433 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -5.009 -4.862 1.253 1.00 0.00 N ATOM 0 H GLN A 84 -3.430 -1.365 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.136 -3.215 -1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.149 -3.657 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.014 -4.914 -1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.757 -4.582 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.823 -3.265 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.319 -3.932 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.674 -5.520 1.658 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.450 -3.111 -3.858 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.617 -3.020 -5.339 1.00 0.00 C ATOM 1362 C VAL A 85 -1.942 -4.410 -5.887 1.00 0.00 C ATOM 1363 O VAL A 85 -1.302 -5.383 -5.534 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.320 -2.515 -5.959 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.537 -2.245 -7.446 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.103 -1.220 -5.260 1.00 0.00 C ATOM 0 H VAL A 85 -0.533 -3.435 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.426 -2.332 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 85 0.460 -3.267 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.391 -1.884 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.842 -3.166 -7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.315 -1.492 -7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.031 -0.855 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.677 -0.469 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.257 -1.413 -4.198 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.930 -4.514 -6.744 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.308 -5.846 -7.318 1.00 0.00 C ATOM 1378 C ASN A 86 -3.241 -5.786 -8.844 1.00 0.00 C ATOM 1379 O ASN A 86 -2.739 -4.843 -9.422 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.738 -6.186 -6.903 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.785 -6.465 -5.400 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.139 -7.375 -4.920 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.525 -5.714 -4.634 1.00 0.00 N ATOM 0 H ASN A 86 -3.494 -3.730 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.619 -6.605 -6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.405 -5.360 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.090 -7.057 -7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.562 -5.890 -3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.067 -4.950 -5.038 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.750 -6.794 -9.491 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.734 -6.829 -10.980 1.00 0.00 C ATOM 1392 C LYS A 87 -4.636 -5.720 -11.539 1.00 0.00 C ATOM 1393 O LYS A 87 -4.327 -5.100 -12.538 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.252 -8.194 -11.442 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.058 -8.364 -12.959 1.00 0.00 C ATOM 1396 CD LYS A 87 -2.629 -8.833 -13.262 1.00 0.00 C ATOM 1397 CE LYS A 87 -2.493 -9.111 -14.760 1.00 0.00 C ATOM 1398 NZ LYS A 87 -3.287 -10.322 -15.110 1.00 0.00 N ATOM 0 H LYS A 87 -4.182 -7.605 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.718 -6.671 -11.342 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.725 -8.987 -10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.309 -8.291 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.776 -9.088 -13.346 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.253 -7.419 -13.466 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.912 -8.072 -12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.401 -9.733 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.844 -8.253 -15.334 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.445 -9.261 -15.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.935 -10.722 -16.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.194 -11.029 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.288 -10.061 -15.219 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.757 -5.480 -10.916 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.687 -4.429 -11.422 1.00 0.00 C ATOM 1414 C ASN A 88 -6.042 -3.051 -11.279 1.00 0.00 C ATOM 1415 O ASN A 88 -6.515 -2.074 -11.824 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.978 -4.467 -10.603 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.026 -3.559 -11.249 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.123 -3.484 -12.457 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.820 -2.860 -10.486 1.00 0.00 N ATOM 0 H ASN A 88 -6.070 -5.967 -10.076 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.906 -4.616 -12.473 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.354 -5.489 -10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.781 -4.142 -9.581 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.523 -2.250 -10.904 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.738 -2.923 -9.471 1.00 0.00 H new ATOM 1426 N SER A 89 -4.961 -2.964 -10.553 1.00 0.00 N ATOM 1427 CA SER A 89 -4.280 -1.647 -10.378 1.00 0.00 C ATOM 1428 C SER A 89 -3.279 -1.428 -11.517 1.00 0.00 C ATOM 1429 O SER A 89 -2.951 -2.341 -12.250 1.00 0.00 O ATOM 1430 CB SER A 89 -3.546 -1.624 -9.040 1.00 0.00 C ATOM 1431 OG SER A 89 -2.839 -0.398 -8.922 1.00 0.00 O ATOM 0 H SER A 89 -4.519 -3.748 -10.073 1.00 0.00 H new ATOM 0 HA SER A 89 -5.025 -0.851 -10.396 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.256 -1.730 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.855 -2.465 -8.975 1.00 0.00 H new ATOM 0 HG SER A 89 -3.430 0.345 -9.163 1.00 0.00 H new ATOM 1437 N SER A 90 -2.791 -0.222 -11.672 1.00 0.00 N ATOM 1438 CA SER A 90 -1.806 0.078 -12.759 1.00 0.00 C ATOM 1439 C SER A 90 -0.668 0.920 -12.176 1.00 0.00 C ATOM 1440 O SER A 90 -0.842 1.604 -11.187 1.00 0.00 O ATOM 1441 CB SER A 90 -2.504 0.859 -13.869 1.00 0.00 C ATOM 1442 OG SER A 90 -3.391 -0.008 -14.561 1.00 0.00 O ATOM 0 H SER A 90 -3.035 0.576 -11.086 1.00 0.00 H new ATOM 0 HA SER A 90 -1.405 -0.850 -13.168 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.054 1.701 -13.448 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.768 1.272 -14.559 1.00 0.00 H new ATOM 0 HG SER A 90 -3.844 0.489 -15.274 1.00 0.00 H new ATOM 1448 N ILE A 91 0.491 0.892 -12.783 1.00 0.00 N ATOM 1449 CA ILE A 91 1.640 1.706 -12.275 1.00 0.00 C ATOM 1450 C ILE A 91 2.380 2.319 -13.465 1.00 0.00 C ATOM 1451 O ILE A 91 2.707 1.630 -14.411 1.00 0.00 O ATOM 1452 CB ILE A 91 2.604 0.812 -11.489 1.00 0.00 C ATOM 1453 CG1 ILE A 91 1.906 0.285 -10.229 1.00 0.00 C ATOM 1454 CG2 ILE A 91 3.844 1.620 -11.093 1.00 0.00 C ATOM 1455 CD1 ILE A 91 2.769 -0.790 -9.567 1.00 0.00 C ATOM 0 H ILE A 91 0.693 0.337 -13.614 1.00 0.00 H new ATOM 0 HA ILE A 91 1.266 2.493 -11.620 1.00 0.00 H new ATOM 0 HB ILE A 91 2.906 -0.030 -12.111 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.730 1.103 -9.531 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.931 -0.128 -10.488 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.530 0.984 -10.534 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.341 1.988 -11.991 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.545 2.465 -10.472 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.267 -1.160 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.922 -1.614 -10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.734 -0.364 -9.292 1.00 0.00 H new ATOM 1467 N GLU A 92 2.651 3.603 -13.431 1.00 0.00 N ATOM 1468 CA GLU A 92 3.380 4.258 -14.566 1.00 0.00 C ATOM 1469 C GLU A 92 4.585 5.017 -14.009 1.00 0.00 C ATOM 1470 O GLU A 92 4.464 5.813 -13.100 1.00 0.00 O ATOM 1471 CB GLU A 92 2.446 5.241 -15.277 1.00 0.00 C ATOM 1472 CG GLU A 92 1.197 4.500 -15.744 1.00 0.00 C ATOM 1473 CD GLU A 92 0.277 5.463 -16.492 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.684 6.595 -16.701 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -0.817 5.055 -16.844 1.00 0.00 O ATOM 0 H GLU A 92 2.398 4.227 -12.665 1.00 0.00 H new ATOM 0 HA GLU A 92 3.713 3.500 -15.275 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.171 6.052 -14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.955 5.693 -16.129 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.476 3.670 -16.393 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.674 4.073 -14.888 1.00 0.00 H new ATOM 1482 N LYS A 93 5.746 4.774 -14.549 1.00 0.00 N ATOM 1483 CA LYS A 93 6.969 5.475 -14.059 1.00 0.00 C ATOM 1484 C LYS A 93 6.955 6.921 -14.557 1.00 0.00 C ATOM 1485 O LYS A 93 6.545 7.196 -15.669 1.00 0.00 O ATOM 1486 CB LYS A 93 8.208 4.756 -14.592 1.00 0.00 C ATOM 1487 CG LYS A 93 9.469 5.411 -14.030 1.00 0.00 C ATOM 1488 CD LYS A 93 10.697 4.647 -14.529 1.00 0.00 C ATOM 1489 CE LYS A 93 11.965 5.284 -13.960 1.00 0.00 C ATOM 1490 NZ LYS A 93 13.156 4.528 -14.440 1.00 0.00 N ATOM 0 H LYS A 93 5.903 4.117 -15.313 1.00 0.00 H new ATOM 0 HA LYS A 93 6.989 5.469 -12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.178 3.703 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.222 4.795 -15.681 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.522 6.454 -14.343 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.441 5.407 -12.940 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.635 3.602 -14.225 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.728 4.661 -15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.033 6.327 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.931 5.278 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.020 4.960 -14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.091 3.540 -14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.189 4.556 -15.479 1.00 0.00 H new ATOM 1504 N LEU A 94 7.394 7.853 -13.744 1.00 0.00 N ATOM 1505 CA LEU A 94 7.400 9.289 -14.169 1.00 0.00 C ATOM 1506 C LEU A 94 8.833 9.741 -14.444 1.00 0.00 C ATOM 1507 O LEU A 94 9.764 9.361 -13.761 1.00 0.00 O ATOM 1508 CB LEU A 94 6.794 10.145 -13.058 1.00 0.00 C ATOM 1509 CG LEU A 94 5.384 9.641 -12.738 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.811 10.457 -11.579 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.474 9.786 -13.972 1.00 0.00 C ATOM 0 H LEU A 94 7.749 7.680 -12.803 1.00 0.00 H new ATOM 0 HA LEU A 94 6.811 9.402 -15.079 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.419 10.099 -12.166 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.757 11.189 -13.368 1.00 0.00 H new ATOM 0 HG LEU A 94 5.433 8.588 -12.461 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.807 10.103 -11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.449 10.342 -10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.768 11.509 -11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.474 9.424 -13.731 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.420 10.835 -14.263 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.883 9.202 -14.796 1.00 0.00 H new ATOM 1523 N SER A 95 9.009 10.552 -15.448 1.00 0.00 N ATOM 1524 CA SER A 95 10.370 11.048 -15.795 1.00 0.00 C ATOM 1525 C SER A 95 10.663 12.317 -15.003 1.00 0.00 C ATOM 1526 O SER A 95 11.695 12.934 -15.176 1.00 0.00 O ATOM 1527 CB SER A 95 10.430 11.371 -17.287 1.00 0.00 C ATOM 1528 OG SER A 95 9.522 12.428 -17.569 1.00 0.00 O ATOM 0 H SER A 95 8.261 10.896 -16.050 1.00 0.00 H new ATOM 0 HA SER A 95 11.106 10.281 -15.553 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.443 11.659 -17.569 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.174 10.489 -17.874 1.00 0.00 H new ATOM 0 HG SER A 95 9.926 13.283 -17.313 1.00 0.00 H new ATOM 1534 N GLU A 96 9.763 12.723 -14.139 1.00 0.00 N ATOM 1535 CA GLU A 96 9.990 13.969 -13.339 1.00 0.00 C ATOM 1536 C GLU A 96 10.334 13.596 -11.883 1.00 0.00 C ATOM 1537 O GLU A 96 9.673 12.765 -11.290 1.00 0.00 O ATOM 1538 CB GLU A 96 8.714 14.818 -13.350 1.00 0.00 C ATOM 1539 CG GLU A 96 8.544 15.459 -14.729 1.00 0.00 C ATOM 1540 CD GLU A 96 8.262 14.367 -15.761 1.00 0.00 C ATOM 1541 OE1 GLU A 96 7.677 13.363 -15.386 1.00 0.00 O ATOM 1542 OE2 GLU A 96 8.638 14.550 -16.906 1.00 0.00 O ATOM 0 H GLU A 96 8.881 12.245 -13.953 1.00 0.00 H new ATOM 0 HA GLU A 96 10.815 14.532 -13.776 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.849 14.198 -13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.770 15.590 -12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.725 16.178 -14.710 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.445 16.009 -15.001 1.00 0.00 H new ATOM 1549 N PRO A 97 11.354 14.199 -11.300 1.00 0.00 N ATOM 1550 CA PRO A 97 11.751 13.903 -9.889 1.00 0.00 C ATOM 1551 C PRO A 97 10.783 14.526 -8.872 1.00 0.00 C ATOM 1552 O PRO A 97 10.211 15.572 -9.107 1.00 0.00 O ATOM 1553 CB PRO A 97 13.154 14.519 -9.773 1.00 0.00 C ATOM 1554 CG PRO A 97 13.155 15.652 -10.747 1.00 0.00 C ATOM 1555 CD PRO A 97 12.237 15.223 -11.900 1.00 0.00 C ATOM 0 HA PRO A 97 11.733 12.835 -9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.350 14.869 -8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.927 13.790 -10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.792 16.568 -10.280 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.164 15.856 -11.107 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.664 16.065 -12.287 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.809 14.816 -12.734 1.00 0.00 H new ATOM 1563 N ILE A 98 10.603 13.885 -7.743 1.00 0.00 N ATOM 1564 CA ILE A 98 9.684 14.416 -6.687 1.00 0.00 C ATOM 1565 C ILE A 98 10.515 14.829 -5.474 1.00 0.00 C ATOM 1566 O ILE A 98 11.393 14.113 -5.038 1.00 0.00 O ATOM 1567 CB ILE A 98 8.681 13.333 -6.294 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.791 13.029 -7.500 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.821 13.827 -5.128 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.935 11.795 -7.219 1.00 0.00 C ATOM 0 H ILE A 98 11.060 13.005 -7.505 1.00 0.00 H new ATOM 0 HA ILE A 98 9.138 15.280 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 98 9.209 12.430 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.151 13.885 -7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.407 12.861 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.106 13.053 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.460 14.054 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.283 14.726 -5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.304 11.585 -8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.582 10.939 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.307 11.979 -6.347 1.00 0.00 H new ATOM 1582 N GLU A 99 10.251 15.985 -4.928 1.00 0.00 N ATOM 1583 CA GLU A 99 11.033 16.451 -3.748 1.00 0.00 C ATOM 1584 C GLU A 99 10.380 15.961 -2.460 1.00 0.00 C ATOM 1585 O GLU A 99 9.238 16.264 -2.172 1.00 0.00 O ATOM 1586 CB GLU A 99 11.071 17.983 -3.735 1.00 0.00 C ATOM 1587 CG GLU A 99 11.929 18.505 -4.897 1.00 0.00 C ATOM 1588 CD GLU A 99 11.111 18.516 -6.192 1.00 0.00 C ATOM 1589 OE1 GLU A 99 9.987 18.040 -6.167 1.00 0.00 O ATOM 1590 OE2 GLU A 99 11.630 18.984 -7.192 1.00 0.00 O ATOM 0 H GLU A 99 9.527 16.627 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 99 12.045 16.052 -3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.059 18.379 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.477 18.335 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.284 19.511 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.810 17.876 -5.020 1.00 0.00 H new