USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 TYR OH : rot -108:sc= 1.11 USER MOD Set 1.2: A 118 GLN : amide:sc= 0.928 K(o=2,f=-3.3!) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.478 K(o=-0.48,f=-2.2!) USER MOD Set 2.2: A 107 MET CE :methyl -165:sc= 0 (180deg=-0.234) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00292 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.1) USER MOD Single : A 33 TYR OH : rot 116:sc= 0.735 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 40 SER OG : rot 22:sc= 0.615 USER MOD Single : A 41 CYS SG : rot 72:sc= 0.678 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.81) USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.25 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0.0973 (180deg=0.0909) USER MOD Single : A 72 THR OG1 : rot 64:sc= 0.222 USER MOD Single : A 74 SER OG : rot 78:sc= 0.012 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0027 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc=-0.00999 K(o=-0.01,f=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00483) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : A 109 ASN : amide:sc= 0.0604 K(o=0.06,f=-0.91) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.998 -9.685 -10.628 1.00 71.12 N ATOM 19 CA GLY A 2 -1.763 -8.959 -10.436 1.00 3.04 C ATOM 20 C GLY A 2 -1.802 -7.670 -11.230 1.00 53.02 C ATOM 21 O GLY A 2 -1.536 -7.646 -12.430 1.00 21.03 O ATOM 0 HA2 GLY A 2 -1.618 -8.742 -9.378 1.00 3.04 H new ATOM 0 HA3 GLY A 2 -0.918 -9.569 -10.755 1.00 3.04 H new ATOM 25 N ILE A 3 -2.165 -6.589 -10.557 1.00 64.32 N ATOM 26 CA ILE A 3 -2.129 -5.246 -11.130 1.00 74.04 C ATOM 27 C ILE A 3 -0.661 -4.863 -11.289 1.00 52.43 C ATOM 28 O ILE A 3 0.175 -5.245 -10.467 1.00 50.31 O ATOM 29 CB ILE A 3 -2.872 -4.245 -10.217 1.00 43.24 C ATOM 30 CG1 ILE A 3 -4.198 -4.874 -9.750 1.00 43.23 C ATOM 31 CG2 ILE A 3 -3.157 -2.900 -10.913 1.00 51.33 C ATOM 32 CD1 ILE A 3 -5.057 -3.945 -8.899 1.00 75.41 C ATOM 0 H ILE A 3 -2.495 -6.616 -9.592 1.00 64.32 H new ATOM 0 HA ILE A 3 -2.632 -5.223 -12.097 1.00 74.04 H new ATOM 0 HB ILE A 3 -2.223 -4.034 -9.367 1.00 43.24 H new ATOM 0 HG12 ILE A 3 -4.771 -5.182 -10.625 1.00 43.23 H new ATOM 0 HG13 ILE A 3 -3.979 -5.776 -9.178 1.00 43.23 H new ATOM 0 HG21 ILE A 3 -3.680 -2.237 -10.224 1.00 51.33 H new ATOM 0 HG22 ILE A 3 -2.216 -2.440 -11.215 1.00 51.33 H new ATOM 0 HG23 ILE A 3 -3.776 -3.070 -11.794 1.00 51.33 H new ATOM 0 HD11 ILE A 3 -5.973 -4.460 -8.609 1.00 75.41 H new ATOM 0 HD12 ILE A 3 -4.505 -3.656 -8.005 1.00 75.41 H new ATOM 0 HD13 ILE A 3 -5.308 -3.054 -9.474 1.00 75.41 H new ATOM 44 N THR A 4 -0.353 -4.067 -12.302 1.00 3.42 N ATOM 45 CA THR A 4 0.972 -3.480 -12.477 1.00 51.15 C ATOM 46 C THR A 4 1.076 -2.242 -11.578 1.00 74.00 C ATOM 47 O THR A 4 0.066 -1.606 -11.273 1.00 11.12 O ATOM 48 CB THR A 4 1.156 -3.145 -13.967 1.00 21.05 C ATOM 49 OG1 THR A 4 1.020 -4.329 -14.734 1.00 22.00 O ATOM 50 CG2 THR A 4 2.511 -2.509 -14.299 1.00 73.11 C ATOM 0 H THR A 4 -1.017 -3.807 -13.031 1.00 3.42 H new ATOM 0 HA THR A 4 1.767 -4.167 -12.187 1.00 51.15 H new ATOM 0 HB THR A 4 0.388 -2.411 -14.210 1.00 21.05 H new ATOM 0 HG1 THR A 4 1.135 -4.118 -15.684 1.00 22.00 H new ATOM 0 HG21 THR A 4 2.564 -2.303 -15.368 1.00 73.11 H new ATOM 0 HG22 THR A 4 2.622 -1.578 -13.744 1.00 73.11 H new ATOM 0 HG23 THR A 4 3.312 -3.194 -14.022 1.00 73.11 H new ATOM 58 N ILE A 5 2.287 -1.850 -11.180 1.00 72.52 N ATOM 59 CA ILE A 5 2.556 -0.617 -10.451 1.00 74.43 C ATOM 60 C ILE A 5 3.625 0.129 -11.237 1.00 14.43 C ATOM 61 O ILE A 5 4.493 -0.504 -11.840 1.00 65.15 O ATOM 62 CB ILE A 5 3.066 -0.983 -9.045 1.00 23.21 C ATOM 63 CG1 ILE A 5 2.132 -1.927 -8.268 1.00 75.24 C ATOM 64 CG2 ILE A 5 3.489 0.222 -8.193 1.00 3.31 C ATOM 65 CD1 ILE A 5 0.825 -1.302 -7.789 1.00 11.40 C ATOM 0 H ILE A 5 3.128 -2.398 -11.362 1.00 72.52 H new ATOM 0 HA ILE A 5 1.667 0.005 -10.343 1.00 74.43 H new ATOM 0 HB ILE A 5 3.977 -1.546 -9.247 1.00 23.21 H new ATOM 0 HG12 ILE A 5 1.896 -2.781 -8.903 1.00 75.24 H new ATOM 0 HG13 ILE A 5 2.670 -2.312 -7.402 1.00 75.24 H new ATOM 0 HG21 ILE A 5 3.835 -0.124 -7.219 1.00 3.31 H new ATOM 0 HG22 ILE A 5 4.295 0.757 -8.695 1.00 3.31 H new ATOM 0 HG23 ILE A 5 2.638 0.890 -8.059 1.00 3.31 H new ATOM 0 HD11 ILE A 5 0.239 -2.049 -7.253 1.00 11.40 H new ATOM 0 HD12 ILE A 5 1.043 -0.467 -7.124 1.00 11.40 H new ATOM 0 HD13 ILE A 5 0.257 -0.943 -8.647 1.00 11.40 H new ATOM 77 N THR A 6 3.612 1.453 -11.167 1.00 12.31 N ATOM 78 CA THR A 6 4.674 2.300 -11.686 1.00 41.21 C ATOM 79 C THR A 6 5.153 3.299 -10.642 1.00 2.03 C ATOM 80 O THR A 6 4.376 3.784 -9.818 1.00 40.33 O ATOM 81 CB THR A 6 4.222 2.994 -12.975 1.00 62.32 C ATOM 82 OG1 THR A 6 2.894 3.473 -12.944 1.00 30.22 O ATOM 83 CG2 THR A 6 4.317 1.998 -14.121 1.00 21.23 C ATOM 0 H THR A 6 2.848 1.977 -10.740 1.00 12.31 H new ATOM 0 HA THR A 6 5.528 1.667 -11.928 1.00 41.21 H new ATOM 0 HB THR A 6 4.877 3.857 -13.098 1.00 62.32 H new ATOM 0 HG1 THR A 6 2.681 3.903 -13.799 1.00 30.22 H new ATOM 0 HG21 THR A 6 3.998 2.477 -15.047 1.00 21.23 H new ATOM 0 HG22 THR A 6 5.348 1.659 -14.224 1.00 21.23 H new ATOM 0 HG23 THR A 6 3.673 1.143 -13.914 1.00 21.23 H new ATOM 91 N ASP A 7 6.447 3.619 -10.705 1.00 73.14 N ATOM 92 CA ASP A 7 7.166 4.543 -9.823 1.00 64.44 C ATOM 93 C ASP A 7 6.547 5.932 -9.838 1.00 24.35 C ATOM 94 O ASP A 7 6.636 6.662 -8.850 1.00 43.23 O ATOM 95 CB ASP A 7 8.628 4.635 -10.268 1.00 24.42 C ATOM 96 CG ASP A 7 9.384 3.311 -10.078 1.00 3.11 C ATOM 97 OD1 ASP A 7 9.080 2.549 -9.130 1.00 20.52 O ATOM 98 OD2 ASP A 7 10.204 2.964 -10.964 1.00 62.34 O ATOM 0 H ASP A 7 7.058 3.216 -11.415 1.00 73.14 H new ATOM 0 HA ASP A 7 7.101 4.156 -8.806 1.00 64.44 H new ATOM 0 HB2 ASP A 7 8.668 4.925 -11.318 1.00 24.42 H new ATOM 0 HB3 ASP A 7 9.128 5.420 -9.701 1.00 24.42 H new ATOM 103 N GLU A 8 5.901 6.296 -10.941 1.00 42.34 N ATOM 104 CA GLU A 8 5.247 7.588 -11.072 1.00 31.43 C ATOM 105 C GLU A 8 3.937 7.601 -10.281 1.00 54.10 C ATOM 106 O GLU A 8 3.684 8.518 -9.501 1.00 44.42 O ATOM 107 CB GLU A 8 4.997 7.847 -12.551 1.00 53.22 C ATOM 108 CG GLU A 8 6.296 8.021 -13.343 1.00 43.33 C ATOM 109 CD GLU A 8 6.023 8.812 -14.618 1.00 60.22 C ATOM 110 OE1 GLU A 8 5.473 8.235 -15.584 1.00 51.42 O ATOM 111 OE2 GLU A 8 6.253 10.040 -14.620 1.00 1.31 O ATOM 0 H GLU A 8 5.818 5.703 -11.767 1.00 42.34 H new ATOM 0 HA GLU A 8 5.881 8.377 -10.667 1.00 31.43 H new ATOM 0 HB2 GLU A 8 4.428 7.018 -12.971 1.00 53.22 H new ATOM 0 HB3 GLU A 8 4.385 8.742 -12.662 1.00 53.22 H new ATOM 0 HG2 GLU A 8 7.037 8.539 -12.734 1.00 43.33 H new ATOM 0 HG3 GLU A 8 6.714 7.046 -13.592 1.00 43.33 H new ATOM 118 N LEU A 9 3.134 6.541 -10.417 1.00 0.02 N ATOM 119 CA LEU A 9 1.888 6.342 -9.676 1.00 31.33 C ATOM 120 C LEU A 9 2.134 6.310 -8.168 1.00 61.51 C ATOM 121 O LEU A 9 1.232 6.576 -7.374 1.00 10.21 O ATOM 122 CB LEU A 9 1.243 5.015 -10.118 1.00 74.43 C ATOM 123 CG LEU A 9 -0.176 5.206 -10.672 1.00 11.23 C ATOM 124 CD1 LEU A 9 -0.586 3.955 -11.453 1.00 13.12 C ATOM 125 CD2 LEU A 9 -1.173 5.487 -9.540 1.00 1.41 C ATOM 0 H LEU A 9 3.340 5.779 -11.063 1.00 0.02 H new ATOM 0 HA LEU A 9 1.223 7.178 -9.893 1.00 31.33 H new ATOM 0 HB2 LEU A 9 1.867 4.548 -10.880 1.00 74.43 H new ATOM 0 HB3 LEU A 9 1.209 4.331 -9.270 1.00 74.43 H new ATOM 0 HG LEU A 9 -0.184 6.067 -11.340 1.00 11.23 H new ATOM 0 HD11 LEU A 9 -1.593 4.087 -11.848 1.00 13.12 H new ATOM 0 HD12 LEU A 9 0.109 3.797 -12.277 1.00 13.12 H new ATOM 0 HD13 LEU A 9 -0.566 3.090 -10.790 1.00 13.12 H new ATOM 0 HD21 LEU A 9 -2.171 5.619 -9.958 1.00 1.41 H new ATOM 0 HD22 LEU A 9 -1.179 4.648 -8.844 1.00 1.41 H new ATOM 0 HD23 LEU A 9 -0.878 6.394 -9.012 1.00 1.41 H new ATOM 137 N LEU A 10 3.353 5.957 -7.769 1.00 71.33 N ATOM 138 CA LEU A 10 3.792 5.933 -6.387 1.00 51.34 C ATOM 139 C LEU A 10 4.080 7.353 -5.886 1.00 42.32 C ATOM 140 O LEU A 10 3.760 7.683 -4.741 1.00 25.12 O ATOM 141 CB LEU A 10 5.002 5.000 -6.284 1.00 51.12 C ATOM 142 CG LEU A 10 4.595 3.527 -6.439 1.00 5.40 C ATOM 143 CD1 LEU A 10 5.756 2.692 -6.968 1.00 21.33 C ATOM 144 CD2 LEU A 10 4.159 2.934 -5.108 1.00 5.11 C ATOM 0 H LEU A 10 4.081 5.672 -8.424 1.00 71.33 H new ATOM 0 HA LEU A 10 3.007 5.545 -5.737 1.00 51.34 H new ATOM 0 HB2 LEU A 10 5.729 5.260 -7.053 1.00 51.12 H new ATOM 0 HB3 LEU A 10 5.492 5.143 -5.321 1.00 51.12 H new ATOM 0 HG LEU A 10 3.765 3.503 -7.145 1.00 5.40 H new ATOM 0 HD11 LEU A 10 5.441 1.653 -7.068 1.00 21.33 H new ATOM 0 HD12 LEU A 10 6.065 3.073 -7.941 1.00 21.33 H new ATOM 0 HD13 LEU A 10 6.593 2.752 -6.273 1.00 21.33 H new ATOM 0 HD21 LEU A 10 3.877 1.891 -5.249 1.00 5.11 H new ATOM 0 HD22 LEU A 10 4.982 2.994 -4.396 1.00 5.11 H new ATOM 0 HD23 LEU A 10 3.305 3.492 -4.723 1.00 5.11 H new ATOM 156 N TRP A 11 4.622 8.234 -6.734 1.00 11.11 N ATOM 157 CA TRP A 11 4.947 9.605 -6.338 1.00 32.11 C ATOM 158 C TRP A 11 3.660 10.407 -6.150 1.00 64.34 C ATOM 159 O TRP A 11 3.614 11.298 -5.303 1.00 53.31 O ATOM 160 CB TRP A 11 5.890 10.302 -7.332 1.00 42.34 C ATOM 161 CG TRP A 11 7.360 10.123 -7.073 1.00 63.43 C ATOM 162 CD1 TRP A 11 8.204 9.379 -7.825 1.00 4.24 C ATOM 163 CD2 TRP A 11 8.180 10.684 -5.995 1.00 14.03 C ATOM 164 NE1 TRP A 11 9.474 9.431 -7.295 1.00 1.33 N ATOM 165 CE2 TRP A 11 9.516 10.212 -6.158 1.00 62.04 C ATOM 166 CE3 TRP A 11 7.942 11.543 -4.896 1.00 4.02 C ATOM 167 CZ2 TRP A 11 10.549 10.575 -5.285 1.00 2.04 C ATOM 168 CZ3 TRP A 11 8.972 11.883 -3.991 1.00 42.43 C ATOM 169 CH2 TRP A 11 10.274 11.406 -4.192 1.00 32.24 C ATOM 0 H TRP A 11 4.845 8.018 -7.705 1.00 11.11 H new ATOM 0 HA TRP A 11 5.485 9.555 -5.391 1.00 32.11 H new ATOM 0 HB2 TRP A 11 5.669 9.933 -8.334 1.00 42.34 H new ATOM 0 HB3 TRP A 11 5.667 11.369 -7.329 1.00 42.34 H new ATOM 0 HD1 TRP A 11 7.923 8.826 -8.709 1.00 4.24 H new ATOM 0 HE1 TRP A 11 10.282 8.952 -7.693 1.00 1.33 H new ATOM 0 HE3 TRP A 11 6.952 11.947 -4.746 1.00 4.02 H new ATOM 0 HZ2 TRP A 11 11.553 10.216 -5.454 1.00 2.04 H new ATOM 0 HZ3 TRP A 11 8.755 12.513 -3.141 1.00 42.43 H new ATOM 0 HH2 TRP A 11 11.063 11.678 -3.506 1.00 32.24 H new ATOM 180 N ALA A 12 2.582 10.041 -6.844 1.00 15.31 N ATOM 181 CA ALA A 12 1.262 10.624 -6.650 1.00 35.02 C ATOM 182 C ALA A 12 0.725 10.446 -5.214 1.00 51.12 C ATOM 183 O ALA A 12 -0.140 11.212 -4.768 1.00 35.03 O ATOM 184 CB ALA A 12 0.312 9.986 -7.661 1.00 62.12 C ATOM 0 H ALA A 12 2.606 9.321 -7.566 1.00 15.31 H new ATOM 0 HA ALA A 12 1.335 11.700 -6.806 1.00 35.02 H new ATOM 0 HB1 ALA A 12 -0.686 10.406 -7.537 1.00 62.12 H new ATOM 0 HB2 ALA A 12 0.668 10.187 -8.672 1.00 62.12 H new ATOM 0 HB3 ALA A 12 0.276 8.909 -7.497 1.00 62.12 H new ATOM 190 N ILE A 13 1.225 9.455 -4.472 1.00 0.33 N ATOM 191 CA ILE A 13 0.891 9.206 -3.070 1.00 10.15 C ATOM 192 C ILE A 13 1.806 10.030 -2.159 1.00 65.32 C ATOM 193 O ILE A 13 1.450 10.296 -1.011 1.00 44.51 O ATOM 194 CB ILE A 13 0.974 7.696 -2.802 1.00 72.33 C ATOM 195 CG1 ILE A 13 -0.063 6.961 -3.690 1.00 13.34 C ATOM 196 CG2 ILE A 13 0.670 7.303 -1.352 1.00 20.43 C ATOM 197 CD1 ILE A 13 0.430 5.584 -4.078 1.00 75.25 C ATOM 0 H ILE A 13 1.895 8.782 -4.844 1.00 0.33 H new ATOM 0 HA ILE A 13 -0.128 9.525 -2.851 1.00 10.15 H new ATOM 0 HB ILE A 13 2.003 7.414 -3.024 1.00 72.33 H new ATOM 0 HG12 ILE A 13 -1.008 6.875 -3.155 1.00 13.34 H new ATOM 0 HG13 ILE A 13 -0.258 7.547 -4.588 1.00 13.34 H new ATOM 0 HG21 ILE A 13 0.749 6.221 -1.244 1.00 20.43 H new ATOM 0 HG22 ILE A 13 1.384 7.787 -0.686 1.00 20.43 H new ATOM 0 HG23 ILE A 13 -0.340 7.620 -1.093 1.00 20.43 H new ATOM 0 HD11 ILE A 13 -0.317 5.092 -4.700 1.00 75.25 H new ATOM 0 HD12 ILE A 13 1.363 5.675 -4.635 1.00 75.25 H new ATOM 0 HD13 ILE A 13 0.600 4.992 -3.179 1.00 75.25 H new ATOM 209 N LEU A 14 2.977 10.437 -2.652 1.00 4.34 N ATOM 210 CA LEU A 14 3.977 11.164 -1.885 1.00 14.21 C ATOM 211 C LEU A 14 3.751 12.677 -1.959 1.00 33.15 C ATOM 212 O LEU A 14 3.925 13.367 -0.950 1.00 11.20 O ATOM 213 CB LEU A 14 5.389 10.791 -2.389 1.00 62.21 C ATOM 214 CG LEU A 14 5.821 9.352 -2.039 1.00 53.41 C ATOM 215 CD1 LEU A 14 7.117 8.942 -2.744 1.00 10.22 C ATOM 216 CD2 LEU A 14 6.036 9.203 -0.532 1.00 41.12 C ATOM 0 H LEU A 14 3.258 10.264 -3.617 1.00 4.34 H new ATOM 0 HA LEU A 14 3.885 10.877 -0.837 1.00 14.21 H new ATOM 0 HB2 LEU A 14 5.422 10.916 -3.471 1.00 62.21 H new ATOM 0 HB3 LEU A 14 6.111 11.489 -1.965 1.00 62.21 H new ATOM 0 HG LEU A 14 5.014 8.704 -2.379 1.00 53.41 H new ATOM 0 HD11 LEU A 14 7.377 7.921 -2.463 1.00 10.22 H new ATOM 0 HD12 LEU A 14 6.977 8.997 -3.824 1.00 10.22 H new ATOM 0 HD13 LEU A 14 7.921 9.615 -2.447 1.00 10.22 H new ATOM 0 HD21 LEU A 14 6.340 8.181 -0.307 1.00 41.12 H new ATOM 0 HD22 LEU A 14 6.814 9.893 -0.205 1.00 41.12 H new ATOM 0 HD23 LEU A 14 5.107 9.429 -0.008 1.00 41.12 H new ATOM 228 N LYS A 15 3.389 13.197 -3.137 1.00 43.24 N ATOM 229 CA LYS A 15 3.225 14.621 -3.379 1.00 31.34 C ATOM 230 C LYS A 15 1.915 15.128 -2.775 1.00 20.41 C ATOM 231 O LYS A 15 1.887 15.550 -1.622 1.00 71.34 O ATOM 232 CB LYS A 15 3.255 14.832 -4.912 1.00 14.24 C ATOM 233 CG LYS A 15 4.604 14.521 -5.570 1.00 14.34 C ATOM 234 CD LYS A 15 5.657 15.505 -5.081 1.00 43.12 C ATOM 235 CE LYS A 15 6.860 15.526 -6.027 1.00 31.52 C ATOM 236 NZ LYS A 15 7.450 16.873 -6.111 1.00 74.41 N ATOM 0 H LYS A 15 3.200 12.623 -3.959 1.00 43.24 H new ATOM 0 HA LYS A 15 4.027 15.187 -2.904 1.00 31.34 H new ATOM 0 HB2 LYS A 15 2.489 14.204 -5.368 1.00 14.24 H new ATOM 0 HB3 LYS A 15 2.989 15.867 -5.129 1.00 14.24 H new ATOM 0 HG2 LYS A 15 4.908 13.502 -5.333 1.00 14.34 H new ATOM 0 HG3 LYS A 15 4.512 14.582 -6.654 1.00 14.34 H new ATOM 0 HD2 LYS A 15 5.225 16.503 -5.012 1.00 43.12 H new ATOM 0 HD3 LYS A 15 5.982 15.229 -4.078 1.00 43.12 H new ATOM 0 HE2 LYS A 15 7.612 14.818 -5.678 1.00 31.52 H new ATOM 0 HE3 LYS A 15 6.551 15.199 -7.020 1.00 31.52 H new ATOM 0 HZ1 LYS A 15 8.263 16.856 -6.759 1.00 74.41 H new ATOM 0 HZ2 LYS A 15 6.738 17.542 -6.466 1.00 74.41 H new ATOM 0 HZ3 LYS A 15 7.766 17.173 -5.167 1.00 74.41 H new ATOM 250 N ASP A 16 0.829 15.045 -3.541 1.00 10.21 N ATOM 251 CA ASP A 16 -0.536 15.405 -3.198 1.00 52.23 C ATOM 252 C ASP A 16 -1.276 15.252 -4.526 1.00 63.42 C ATOM 253 O ASP A 16 -1.492 16.226 -5.262 1.00 60.41 O ATOM 254 CB ASP A 16 -0.681 16.837 -2.651 1.00 4.43 C ATOM 255 CG ASP A 16 -0.683 16.976 -1.127 1.00 55.14 C ATOM 256 OD1 ASP A 16 -1.154 16.076 -0.391 1.00 74.33 O ATOM 257 OD2 ASP A 16 -0.270 18.059 -0.650 1.00 4.43 O ATOM 0 H ASP A 16 0.892 14.694 -4.497 1.00 10.21 H new ATOM 0 HA ASP A 16 -0.924 14.780 -2.393 1.00 52.23 H new ATOM 0 HB2 ASP A 16 0.134 17.441 -3.050 1.00 4.43 H new ATOM 0 HB3 ASP A 16 -1.609 17.259 -3.036 1.00 4.43 H new ATOM 262 N GLU A 17 -1.558 14.024 -4.947 1.00 52.20 N ATOM 263 CA GLU A 17 -2.370 13.767 -6.101 1.00 61.12 C ATOM 264 C GLU A 17 -3.458 12.786 -5.681 1.00 15.25 C ATOM 265 O GLU A 17 -4.634 13.138 -5.762 1.00 33.24 O ATOM 266 CB GLU A 17 -1.423 13.313 -7.208 1.00 54.33 C ATOM 267 CG GLU A 17 -2.156 12.551 -8.289 1.00 42.00 C ATOM 268 CD GLU A 17 -3.289 13.357 -8.921 1.00 42.04 C ATOM 269 OE1 GLU A 17 -3.154 14.608 -9.018 1.00 72.11 O ATOM 270 OE2 GLU A 17 -4.307 12.728 -9.285 1.00 51.24 O ATOM 0 H GLU A 17 -1.220 13.180 -4.484 1.00 52.20 H new ATOM 0 HA GLU A 17 -2.904 14.628 -6.502 1.00 61.12 H new ATOM 0 HB2 GLU A 17 -0.930 14.181 -7.645 1.00 54.33 H new ATOM 0 HB3 GLU A 17 -0.642 12.683 -6.784 1.00 54.33 H new ATOM 0 HG2 GLU A 17 -1.448 12.259 -9.065 1.00 42.00 H new ATOM 0 HG3 GLU A 17 -2.562 11.632 -7.867 1.00 42.00 H new ATOM 277 N LEU A 18 -3.089 11.615 -5.149 1.00 60.35 N ATOM 278 CA LEU A 18 -4.054 10.696 -4.537 1.00 41.52 C ATOM 279 C LEU A 18 -4.765 11.394 -3.382 1.00 72.20 C ATOM 280 O LEU A 18 -4.242 12.348 -2.800 1.00 42.34 O ATOM 281 CB LEU A 18 -3.377 9.421 -3.995 1.00 53.01 C ATOM 282 CG LEU A 18 -3.457 8.186 -4.900 1.00 11.04 C ATOM 283 CD1 LEU A 18 -4.887 7.698 -5.088 1.00 71.42 C ATOM 284 CD2 LEU A 18 -2.747 8.385 -6.240 1.00 24.23 C ATOM 0 H LEU A 18 -2.125 11.281 -5.130 1.00 60.35 H new ATOM 0 HA LEU A 18 -4.763 10.407 -5.313 1.00 41.52 H new ATOM 0 HB2 LEU A 18 -2.326 9.642 -3.807 1.00 53.01 H new ATOM 0 HB3 LEU A 18 -3.828 9.174 -3.034 1.00 53.01 H new ATOM 0 HG LEU A 18 -2.916 7.398 -4.376 1.00 11.04 H new ATOM 0 HD11 LEU A 18 -4.890 6.822 -5.737 1.00 71.42 H new ATOM 0 HD12 LEU A 18 -5.312 7.434 -4.119 1.00 71.42 H new ATOM 0 HD13 LEU A 18 -5.484 8.488 -5.543 1.00 71.42 H new ATOM 0 HD21 LEU A 18 -2.837 7.478 -6.838 1.00 24.23 H new ATOM 0 HD22 LEU A 18 -3.204 9.218 -6.774 1.00 24.23 H new ATOM 0 HD23 LEU A 18 -1.693 8.601 -6.065 1.00 24.23 H new ATOM 296 N SER A 19 -5.900 10.841 -2.977 1.00 1.24 N ATOM 297 CA SER A 19 -6.612 11.235 -1.761 1.00 1.51 C ATOM 298 C SER A 19 -6.408 10.152 -0.698 1.00 32.01 C ATOM 299 O SER A 19 -5.764 9.140 -0.970 1.00 61.32 O ATOM 300 CB SER A 19 -8.081 11.550 -2.082 1.00 41.24 C ATOM 301 OG SER A 19 -8.210 12.931 -2.385 1.00 13.13 O ATOM 0 H SER A 19 -6.363 10.092 -3.491 1.00 1.24 H new ATOM 0 HA SER A 19 -6.209 12.159 -1.347 1.00 1.51 H new ATOM 0 HB2 SER A 19 -8.418 10.948 -2.926 1.00 41.24 H new ATOM 0 HB3 SER A 19 -8.714 11.292 -1.233 1.00 41.24 H new ATOM 0 HG SER A 19 -9.146 13.134 -2.592 1.00 13.13 H new ATOM 307 N ASP A 20 -6.881 10.376 0.531 1.00 51.42 N ATOM 308 CA ASP A 20 -6.686 9.447 1.643 1.00 62.14 C ATOM 309 C ASP A 20 -7.341 8.094 1.357 1.00 34.45 C ATOM 310 O ASP A 20 -6.633 7.092 1.248 1.00 63.14 O ATOM 311 CB ASP A 20 -7.036 10.073 3.009 1.00 3.40 C ATOM 312 CG ASP A 20 -8.358 10.827 3.118 1.00 63.32 C ATOM 313 OD1 ASP A 20 -9.393 10.305 2.640 1.00 50.14 O ATOM 314 OD2 ASP A 20 -8.307 11.946 3.671 1.00 11.23 O ATOM 0 H ASP A 20 -7.412 11.210 0.782 1.00 51.42 H new ATOM 0 HA ASP A 20 -5.620 9.235 1.727 1.00 62.14 H new ATOM 0 HB2 ASP A 20 -7.040 9.277 3.753 1.00 3.40 H new ATOM 0 HB3 ASP A 20 -6.234 10.759 3.281 1.00 3.40 H new ATOM 319 N ALA A 21 -8.661 8.068 1.176 1.00 62.53 N ATOM 320 CA ALA A 21 -9.418 6.869 0.840 1.00 23.24 C ATOM 321 C ALA A 21 -8.896 6.222 -0.444 1.00 41.31 C ATOM 322 O ALA A 21 -8.808 5.005 -0.527 1.00 13.21 O ATOM 323 CB ALA A 21 -10.895 7.239 0.681 1.00 11.31 C ATOM 0 H ALA A 21 -9.244 8.900 1.262 1.00 62.53 H new ATOM 0 HA ALA A 21 -9.300 6.144 1.645 1.00 23.24 H new ATOM 0 HB1 ALA A 21 -11.469 6.347 0.429 1.00 11.31 H new ATOM 0 HB2 ALA A 21 -11.268 7.658 1.616 1.00 11.31 H new ATOM 0 HB3 ALA A 21 -11.002 7.976 -0.115 1.00 11.31 H new ATOM 329 N GLU A 22 -8.538 7.033 -1.439 1.00 45.23 N ATOM 330 CA GLU A 22 -8.105 6.560 -2.751 1.00 30.23 C ATOM 331 C GLU A 22 -6.724 5.897 -2.662 1.00 24.00 C ATOM 332 O GLU A 22 -6.460 4.877 -3.292 1.00 32.20 O ATOM 333 CB GLU A 22 -8.063 7.740 -3.723 1.00 73.25 C ATOM 334 CG GLU A 22 -9.364 8.540 -3.811 1.00 52.21 C ATOM 335 CD GLU A 22 -10.603 7.745 -4.229 1.00 34.42 C ATOM 336 OE1 GLU A 22 -10.488 6.675 -4.867 1.00 42.33 O ATOM 337 OE2 GLU A 22 -11.717 8.208 -3.898 1.00 34.55 O ATOM 0 H GLU A 22 -8.541 8.049 -1.354 1.00 45.23 H new ATOM 0 HA GLU A 22 -8.814 5.815 -3.112 1.00 30.23 H new ATOM 0 HB2 GLU A 22 -7.258 8.412 -3.424 1.00 73.25 H new ATOM 0 HB3 GLU A 22 -7.814 7.367 -4.716 1.00 73.25 H new ATOM 0 HG2 GLU A 22 -9.557 8.994 -2.839 1.00 52.21 H new ATOM 0 HG3 GLU A 22 -9.221 9.355 -4.521 1.00 52.21 H new ATOM 344 N ALA A 23 -5.822 6.461 -1.855 1.00 2.03 N ATOM 345 CA ALA A 23 -4.510 5.868 -1.608 1.00 14.45 C ATOM 346 C ALA A 23 -4.646 4.539 -0.864 1.00 74.43 C ATOM 347 O ALA A 23 -3.819 3.646 -1.055 1.00 61.43 O ATOM 348 CB ALA A 23 -3.639 6.828 -0.794 1.00 43.24 C ATOM 0 H ALA A 23 -5.981 7.337 -1.358 1.00 2.03 H new ATOM 0 HA ALA A 23 -4.036 5.682 -2.572 1.00 14.45 H new ATOM 0 HB1 ALA A 23 -2.664 6.374 -0.617 1.00 43.24 H new ATOM 0 HB2 ALA A 23 -3.511 7.759 -1.346 1.00 43.24 H new ATOM 0 HB3 ALA A 23 -4.121 7.036 0.161 1.00 43.24 H new ATOM 354 N ASN A 24 -5.664 4.435 -0.006 1.00 64.32 N ATOM 355 CA ASN A 24 -6.099 3.177 0.597 1.00 45.24 C ATOM 356 C ASN A 24 -6.573 2.218 -0.499 1.00 3.34 C ATOM 357 O ASN A 24 -6.137 1.069 -0.518 1.00 51.45 O ATOM 358 CB ASN A 24 -7.209 3.404 1.651 1.00 31.12 C ATOM 359 CG ASN A 24 -6.864 2.980 3.078 1.00 74.23 C ATOM 360 OD1 ASN A 24 -5.795 2.458 3.381 1.00 20.13 O ATOM 361 ND2 ASN A 24 -7.756 3.249 4.014 1.00 54.12 N ATOM 0 H ASN A 24 -6.217 5.238 0.293 1.00 64.32 H new ATOM 0 HA ASN A 24 -5.250 2.733 1.117 1.00 45.24 H new ATOM 0 HB2 ASN A 24 -7.466 4.463 1.658 1.00 31.12 H new ATOM 0 HB3 ASN A 24 -8.100 2.862 1.336 1.00 31.12 H new ATOM 0 HD21 ASN A 24 -7.557 3.023 4.988 1.00 54.12 H new ATOM 0 HD22 ASN A 24 -8.644 3.683 3.762 1.00 54.12 H new ATOM 368 N ALA A 25 -7.428 2.690 -1.411 1.00 21.53 N ATOM 369 CA ALA A 25 -8.004 1.905 -2.492 1.00 52.11 C ATOM 370 C ALA A 25 -6.922 1.278 -3.366 1.00 62.31 C ATOM 371 O ALA A 25 -6.922 0.061 -3.520 1.00 20.32 O ATOM 372 CB ALA A 25 -8.981 2.749 -3.318 1.00 52.23 C ATOM 0 H ALA A 25 -7.744 3.660 -1.412 1.00 21.53 H new ATOM 0 HA ALA A 25 -8.568 1.085 -2.047 1.00 52.11 H new ATOM 0 HB1 ALA A 25 -9.399 2.141 -4.120 1.00 52.23 H new ATOM 0 HB2 ALA A 25 -9.786 3.106 -2.676 1.00 52.23 H new ATOM 0 HB3 ALA A 25 -8.454 3.601 -3.746 1.00 52.23 H new ATOM 378 N LEU A 26 -5.982 2.052 -3.928 1.00 42.41 N ATOM 379 CA LEU A 26 -4.970 1.508 -4.831 1.00 53.12 C ATOM 380 C LEU A 26 -4.076 0.451 -4.169 1.00 55.11 C ATOM 381 O LEU A 26 -3.506 -0.384 -4.874 1.00 14.33 O ATOM 382 CB LEU A 26 -4.112 2.639 -5.407 1.00 73.14 C ATOM 383 CG LEU A 26 -4.855 3.688 -6.258 1.00 11.34 C ATOM 384 CD1 LEU A 26 -3.814 4.597 -6.926 1.00 24.44 C ATOM 385 CD2 LEU A 26 -5.748 3.075 -7.343 1.00 52.33 C ATOM 0 H LEU A 26 -5.906 3.057 -3.770 1.00 42.41 H new ATOM 0 HA LEU A 26 -5.507 1.005 -5.635 1.00 53.12 H new ATOM 0 HB2 LEU A 26 -3.622 3.153 -4.580 1.00 73.14 H new ATOM 0 HB3 LEU A 26 -3.326 2.196 -6.018 1.00 73.14 H new ATOM 0 HG LEU A 26 -5.511 4.242 -5.587 1.00 11.34 H new ATOM 0 HD11 LEU A 26 -4.322 5.347 -7.533 1.00 24.44 H new ATOM 0 HD12 LEU A 26 -3.219 5.093 -6.159 1.00 24.44 H new ATOM 0 HD13 LEU A 26 -3.161 3.998 -7.561 1.00 24.44 H new ATOM 0 HD21 LEU A 26 -6.239 3.871 -7.902 1.00 52.33 H new ATOM 0 HD22 LEU A 26 -5.139 2.478 -8.021 1.00 52.33 H new ATOM 0 HD23 LEU A 26 -6.502 2.440 -6.878 1.00 52.33 H new ATOM 397 N VAL A 27 -3.948 0.445 -2.842 1.00 64.14 N ATOM 398 CA VAL A 27 -3.334 -0.650 -2.094 1.00 10.25 C ATOM 399 C VAL A 27 -4.296 -1.843 -2.066 1.00 73.55 C ATOM 400 O VAL A 27 -3.917 -2.955 -2.454 1.00 42.34 O ATOM 401 CB VAL A 27 -2.947 -0.118 -0.700 1.00 11.10 C ATOM 402 CG1 VAL A 27 -2.516 -1.188 0.316 1.00 4.21 C ATOM 403 CG2 VAL A 27 -1.826 0.919 -0.837 1.00 22.04 C ATOM 0 H VAL A 27 -4.272 1.210 -2.250 1.00 64.14 H new ATOM 0 HA VAL A 27 -2.420 -1.013 -2.565 1.00 10.25 H new ATOM 0 HB VAL A 27 -3.861 0.321 -0.300 1.00 11.10 H new ATOM 0 HG11 VAL A 27 -2.265 -0.710 1.263 1.00 4.21 H new ATOM 0 HG12 VAL A 27 -3.333 -1.893 0.470 1.00 4.21 H new ATOM 0 HG13 VAL A 27 -1.644 -1.720 -0.064 1.00 4.21 H new ATOM 0 HG21 VAL A 27 -1.554 1.294 0.150 1.00 22.04 H new ATOM 0 HG22 VAL A 27 -0.956 0.455 -1.301 1.00 22.04 H new ATOM 0 HG23 VAL A 27 -2.170 1.747 -1.457 1.00 22.04 H new ATOM 413 N TRP A 28 -5.543 -1.622 -1.642 1.00 74.52 N ATOM 414 CA TRP A 28 -6.566 -2.650 -1.531 1.00 55.34 C ATOM 415 C TRP A 28 -6.751 -3.431 -2.820 1.00 32.24 C ATOM 416 O TRP A 28 -6.818 -4.655 -2.742 1.00 0.25 O ATOM 417 CB TRP A 28 -7.902 -2.044 -1.108 1.00 41.32 C ATOM 418 CG TRP A 28 -7.948 -1.395 0.232 1.00 20.14 C ATOM 419 CD1 TRP A 28 -7.123 -1.636 1.276 1.00 25.23 C ATOM 420 CD2 TRP A 28 -8.900 -0.396 0.692 1.00 72.10 C ATOM 421 NE1 TRP A 28 -7.509 -0.867 2.351 1.00 4.20 N ATOM 422 CE2 TRP A 28 -8.601 -0.092 2.048 1.00 43.21 C ATOM 423 CE3 TRP A 28 -10.000 0.267 0.109 1.00 3.23 C ATOM 424 CZ2 TRP A 28 -9.381 0.776 2.811 1.00 33.34 C ATOM 425 CZ3 TRP A 28 -10.752 1.202 0.843 1.00 60.03 C ATOM 426 CH2 TRP A 28 -10.448 1.451 2.193 1.00 74.54 C ATOM 0 H TRP A 28 -5.871 -0.698 -1.361 1.00 74.52 H new ATOM 0 HA TRP A 28 -6.220 -3.345 -0.766 1.00 55.34 H new ATOM 0 HB2 TRP A 28 -8.192 -1.304 -1.854 1.00 41.32 H new ATOM 0 HB3 TRP A 28 -8.655 -2.832 -1.131 1.00 41.32 H new ATOM 0 HD1 TRP A 28 -6.291 -2.324 1.268 1.00 25.23 H new ATOM 0 HE1 TRP A 28 -7.042 -0.872 3.258 1.00 4.20 H new ATOM 0 HE3 TRP A 28 -10.269 0.054 -0.915 1.00 3.23 H new ATOM 0 HZ2 TRP A 28 -9.169 0.927 3.859 1.00 33.34 H new ATOM 0 HZ3 TRP A 28 -11.565 1.730 0.368 1.00 60.03 H new ATOM 0 HH2 TRP A 28 -11.035 2.162 2.756 1.00 74.54 H new ATOM 437 N GLN A 29 -6.821 -2.782 -3.984 1.00 75.31 N ATOM 438 CA GLN A 29 -7.004 -3.497 -5.249 1.00 40.21 C ATOM 439 C GLN A 29 -5.850 -4.472 -5.521 1.00 61.52 C ATOM 440 O GLN A 29 -6.095 -5.593 -5.953 1.00 63.23 O ATOM 441 CB GLN A 29 -7.206 -2.517 -6.419 1.00 33.13 C ATOM 442 CG GLN A 29 -6.194 -1.378 -6.497 1.00 25.43 C ATOM 443 CD GLN A 29 -6.146 -0.636 -7.829 1.00 22.32 C ATOM 444 OE1 GLN A 29 -5.098 -0.144 -8.240 1.00 25.11 O ATOM 445 NE2 GLN A 29 -7.257 -0.516 -8.525 1.00 24.24 N ATOM 0 H GLN A 29 -6.754 -1.768 -4.077 1.00 75.31 H new ATOM 0 HA GLN A 29 -7.912 -4.093 -5.160 1.00 40.21 H new ATOM 0 HB2 GLN A 29 -7.169 -3.079 -7.352 1.00 33.13 H new ATOM 0 HB3 GLN A 29 -8.206 -2.089 -6.344 1.00 33.13 H new ATOM 0 HG2 GLN A 29 -6.419 -0.660 -5.708 1.00 25.43 H new ATOM 0 HG3 GLN A 29 -5.203 -1.780 -6.289 1.00 25.43 H new ATOM 0 HE21 GLN A 29 -8.123 -0.927 -8.178 1.00 24.24 H new ATOM 0 HE22 GLN A 29 -7.251 -0.012 -9.412 1.00 24.24 H new ATOM 454 N ALA A 30 -4.599 -4.081 -5.269 1.00 65.31 N ATOM 455 CA ALA A 30 -3.425 -4.914 -5.523 1.00 40.22 C ATOM 456 C ALA A 30 -3.314 -6.057 -4.518 1.00 51.03 C ATOM 457 O ALA A 30 -2.785 -7.111 -4.880 1.00 54.32 O ATOM 458 CB ALA A 30 -2.166 -4.057 -5.453 1.00 12.42 C ATOM 0 H ALA A 30 -4.372 -3.167 -4.878 1.00 65.31 H new ATOM 0 HA ALA A 30 -3.533 -5.348 -6.517 1.00 40.22 H new ATOM 0 HB1 ALA A 30 -1.291 -4.679 -5.643 1.00 12.42 H new ATOM 0 HB2 ALA A 30 -2.220 -3.269 -6.204 1.00 12.42 H new ATOM 0 HB3 ALA A 30 -2.085 -3.609 -4.462 1.00 12.42 H new ATOM 464 N LEU A 31 -3.783 -5.866 -3.278 1.00 3.41 N ATOM 465 CA LEU A 31 -3.975 -6.963 -2.328 1.00 60.21 C ATOM 466 C LEU A 31 -5.054 -7.875 -2.912 1.00 54.31 C ATOM 467 O LEU A 31 -4.801 -9.042 -3.199 1.00 1.11 O ATOM 468 CB LEU A 31 -4.408 -6.432 -0.949 1.00 21.50 C ATOM 469 CG LEU A 31 -3.268 -5.989 -0.017 1.00 1.43 C ATOM 470 CD1 LEU A 31 -3.827 -5.178 1.159 1.00 61.11 C ATOM 471 CD2 LEU A 31 -2.485 -7.190 0.528 1.00 71.42 C ATOM 0 H LEU A 31 -4.038 -4.950 -2.909 1.00 3.41 H new ATOM 0 HA LEU A 31 -3.041 -7.506 -2.180 1.00 60.21 H new ATOM 0 HB2 LEU A 31 -5.079 -5.586 -1.100 1.00 21.50 H new ATOM 0 HB3 LEU A 31 -4.983 -7.209 -0.445 1.00 21.50 H new ATOM 0 HG LEU A 31 -2.590 -5.371 -0.605 1.00 1.43 H new ATOM 0 HD11 LEU A 31 -3.009 -4.871 1.811 1.00 61.11 H new ATOM 0 HD12 LEU A 31 -4.340 -4.294 0.780 1.00 61.11 H new ATOM 0 HD13 LEU A 31 -4.529 -5.792 1.723 1.00 61.11 H new ATOM 0 HD21 LEU A 31 -1.688 -6.838 1.182 1.00 71.42 H new ATOM 0 HD22 LEU A 31 -3.157 -7.837 1.091 1.00 71.42 H new ATOM 0 HD23 LEU A 31 -2.053 -7.749 -0.302 1.00 71.42 H new ATOM 483 N GLY A 32 -6.243 -7.311 -3.130 1.00 4.33 N ATOM 484 CA GLY A 32 -7.430 -7.928 -3.698 1.00 10.05 C ATOM 485 C GLY A 32 -8.725 -7.535 -2.970 1.00 2.10 C ATOM 486 O GLY A 32 -9.783 -7.997 -3.387 1.00 70.22 O ATOM 0 H GLY A 32 -6.408 -6.333 -2.893 1.00 4.33 H new ATOM 0 HA2 GLY A 32 -7.511 -7.646 -4.748 1.00 10.05 H new ATOM 0 HA3 GLY A 32 -7.318 -9.012 -3.667 1.00 10.05 H new ATOM 490 N TYR A 33 -8.670 -6.685 -1.932 1.00 52.21 N ATOM 491 CA TYR A 33 -9.806 -6.139 -1.172 1.00 71.05 C ATOM 492 C TYR A 33 -10.539 -5.021 -1.944 1.00 2.43 C ATOM 493 O TYR A 33 -10.879 -3.979 -1.384 1.00 73.14 O ATOM 494 CB TYR A 33 -9.349 -5.600 0.194 1.00 2.14 C ATOM 495 CG TYR A 33 -8.770 -6.588 1.185 1.00 2.35 C ATOM 496 CD1 TYR A 33 -7.385 -6.817 1.199 1.00 41.12 C ATOM 497 CD2 TYR A 33 -9.592 -7.194 2.156 1.00 73.13 C ATOM 498 CE1 TYR A 33 -6.812 -7.650 2.171 1.00 52.00 C ATOM 499 CE2 TYR A 33 -9.031 -8.015 3.150 1.00 23.20 C ATOM 500 CZ TYR A 33 -7.632 -8.233 3.164 1.00 20.33 C ATOM 501 OH TYR A 33 -7.047 -9.003 4.117 1.00 15.53 O ATOM 0 H TYR A 33 -7.777 -6.340 -1.580 1.00 52.21 H new ATOM 0 HA TYR A 33 -10.502 -6.964 -1.022 1.00 71.05 H new ATOM 0 HB2 TYR A 33 -8.601 -4.827 0.016 1.00 2.14 H new ATOM 0 HB3 TYR A 33 -10.203 -5.114 0.665 1.00 2.14 H new ATOM 0 HD1 TYR A 33 -6.756 -6.348 0.456 1.00 41.12 H new ATOM 0 HD2 TYR A 33 -10.659 -7.027 2.137 1.00 73.13 H new ATOM 0 HE1 TYR A 33 -5.750 -7.845 2.161 1.00 52.00 H new ATOM 0 HE2 TYR A 33 -9.662 -8.475 3.896 1.00 23.20 H new ATOM 0 HH TYR A 33 -7.159 -8.580 4.994 1.00 15.53 H new ATOM 511 N VAL A 34 -10.717 -5.166 -3.252 1.00 43.12 N ATOM 512 CA VAL A 34 -11.446 -4.181 -4.052 1.00 13.31 C ATOM 513 C VAL A 34 -12.904 -4.130 -3.564 1.00 24.23 C ATOM 514 O VAL A 34 -13.479 -5.163 -3.217 1.00 33.24 O ATOM 515 CB VAL A 34 -11.272 -4.493 -5.557 1.00 64.20 C ATOM 516 CG1 VAL A 34 -11.624 -5.937 -5.940 1.00 60.30 C ATOM 517 CG2 VAL A 34 -12.077 -3.562 -6.471 1.00 63.45 C ATOM 0 H VAL A 34 -10.365 -5.960 -3.786 1.00 43.12 H new ATOM 0 HA VAL A 34 -11.044 -3.176 -3.922 1.00 13.31 H new ATOM 0 HB VAL A 34 -10.206 -4.331 -5.714 1.00 64.20 H new ATOM 0 HG11 VAL A 34 -11.476 -6.076 -7.011 1.00 60.30 H new ATOM 0 HG12 VAL A 34 -10.981 -6.626 -5.393 1.00 60.30 H new ATOM 0 HG13 VAL A 34 -12.666 -6.136 -5.689 1.00 60.30 H new ATOM 0 HG21 VAL A 34 -11.908 -3.838 -7.512 1.00 63.45 H new ATOM 0 HG22 VAL A 34 -13.138 -3.653 -6.240 1.00 63.45 H new ATOM 0 HG23 VAL A 34 -11.758 -2.532 -6.313 1.00 63.45 H new ATOM 527 N TRP A 35 -13.516 -2.946 -3.537 1.00 61.13 N ATOM 528 CA TRP A 35 -14.953 -2.823 -3.345 1.00 1.43 C ATOM 529 C TRP A 35 -15.650 -3.416 -4.569 1.00 22.21 C ATOM 530 O TRP A 35 -15.465 -2.929 -5.691 1.00 24.10 O ATOM 531 CB TRP A 35 -15.343 -1.357 -3.144 1.00 15.41 C ATOM 532 CG TRP A 35 -16.811 -1.103 -3.236 1.00 55.32 C ATOM 533 CD1 TRP A 35 -17.451 -0.683 -4.346 1.00 65.11 C ATOM 534 CD2 TRP A 35 -17.855 -1.349 -2.254 1.00 4.15 C ATOM 535 NE1 TRP A 35 -18.795 -0.556 -4.108 1.00 13.24 N ATOM 536 CE2 TRP A 35 -19.106 -0.979 -2.834 1.00 71.12 C ATOM 537 CE3 TRP A 35 -17.872 -1.875 -0.944 1.00 72.33 C ATOM 538 CZ2 TRP A 35 -20.310 -1.103 -2.138 1.00 15.44 C ATOM 539 CZ3 TRP A 35 -19.086 -2.042 -0.255 1.00 33.53 C ATOM 540 CH2 TRP A 35 -20.300 -1.661 -0.854 1.00 42.32 C ATOM 0 H TRP A 35 -13.031 -2.055 -3.647 1.00 61.13 H new ATOM 0 HA TRP A 35 -15.262 -3.365 -2.451 1.00 1.43 H new ATOM 0 HB2 TRP A 35 -14.988 -1.027 -2.168 1.00 15.41 H new ATOM 0 HB3 TRP A 35 -14.832 -0.750 -3.891 1.00 15.41 H new ATOM 0 HD1 TRP A 35 -16.971 -0.476 -5.291 1.00 65.11 H new ATOM 0 HE1 TRP A 35 -19.472 -0.198 -4.782 1.00 13.24 H new ATOM 0 HE3 TRP A 35 -16.944 -2.152 -0.467 1.00 72.33 H new ATOM 0 HZ2 TRP A 35 -21.237 -0.773 -2.584 1.00 15.44 H new ATOM 0 HZ3 TRP A 35 -19.086 -2.465 0.739 1.00 33.53 H new ATOM 0 HH2 TRP A 35 -21.229 -1.800 -0.321 1.00 42.32 H new ATOM 551 N ASP A 36 -16.441 -4.470 -4.373 1.00 24.23 N ATOM 552 CA ASP A 36 -17.310 -5.002 -5.405 1.00 22.10 C ATOM 553 C ASP A 36 -18.613 -4.231 -5.426 1.00 42.43 C ATOM 554 O ASP A 36 -19.557 -4.562 -4.710 1.00 12.51 O ATOM 555 CB ASP A 36 -17.627 -6.503 -5.274 1.00 33.04 C ATOM 556 CG ASP A 36 -18.087 -7.051 -6.628 1.00 61.13 C ATOM 557 OD1 ASP A 36 -17.972 -6.345 -7.658 1.00 72.11 O ATOM 558 OD2 ASP A 36 -18.433 -8.248 -6.692 1.00 64.34 O ATOM 0 H ASP A 36 -16.493 -4.976 -3.489 1.00 24.23 H new ATOM 0 HA ASP A 36 -16.755 -4.885 -6.336 1.00 22.10 H new ATOM 0 HB2 ASP A 36 -16.744 -7.043 -4.933 1.00 33.04 H new ATOM 0 HB3 ASP A 36 -18.404 -6.657 -4.525 1.00 33.04 H new ATOM 563 N GLU A 37 -18.703 -3.235 -6.298 1.00 24.51 N ATOM 564 CA GLU A 37 -19.961 -2.563 -6.580 1.00 12.04 C ATOM 565 C GLU A 37 -21.017 -3.559 -7.090 1.00 43.41 C ATOM 566 O GLU A 37 -22.213 -3.317 -6.939 1.00 51.34 O ATOM 567 CB GLU A 37 -19.663 -1.469 -7.600 1.00 63.22 C ATOM 568 CG GLU A 37 -20.855 -0.598 -8.015 1.00 21.30 C ATOM 569 CD GLU A 37 -20.398 0.408 -9.067 1.00 21.03 C ATOM 570 OE1 GLU A 37 -19.518 1.244 -8.760 1.00 30.32 O ATOM 571 OE2 GLU A 37 -20.814 0.285 -10.242 1.00 63.43 O ATOM 0 H GLU A 37 -17.909 -2.873 -6.826 1.00 24.51 H new ATOM 0 HA GLU A 37 -20.381 -2.123 -5.675 1.00 12.04 H new ATOM 0 HB2 GLU A 37 -18.888 -0.820 -7.192 1.00 63.22 H new ATOM 0 HB3 GLU A 37 -19.250 -1.936 -8.494 1.00 63.22 H new ATOM 0 HG2 GLU A 37 -21.655 -1.222 -8.414 1.00 21.30 H new ATOM 0 HG3 GLU A 37 -21.260 -0.077 -7.147 1.00 21.30 H new ATOM 578 N ALA A 38 -20.591 -4.698 -7.649 1.00 64.13 N ATOM 579 CA ALA A 38 -21.483 -5.722 -8.169 1.00 62.22 C ATOM 580 C ALA A 38 -22.220 -6.483 -7.068 1.00 3.12 C ATOM 581 O ALA A 38 -23.251 -7.089 -7.358 1.00 4.12 O ATOM 582 CB ALA A 38 -20.695 -6.717 -9.024 1.00 31.53 C ATOM 0 H ALA A 38 -19.603 -4.930 -7.751 1.00 64.13 H new ATOM 0 HA ALA A 38 -22.232 -5.207 -8.771 1.00 62.22 H new ATOM 0 HB1 ALA A 38 -21.371 -7.481 -9.409 1.00 31.53 H new ATOM 0 HB2 ALA A 38 -20.228 -6.191 -9.857 1.00 31.53 H new ATOM 0 HB3 ALA A 38 -19.924 -7.189 -8.415 1.00 31.53 H new ATOM 588 N GLN A 39 -21.706 -6.464 -5.835 1.00 24.44 N ATOM 589 CA GLN A 39 -22.299 -7.147 -4.687 1.00 70.42 C ATOM 590 C GLN A 39 -22.499 -6.199 -3.505 1.00 22.55 C ATOM 591 O GLN A 39 -23.022 -6.616 -2.473 1.00 64.20 O ATOM 592 CB GLN A 39 -21.439 -8.357 -4.279 1.00 31.25 C ATOM 593 CG GLN A 39 -21.496 -9.477 -5.316 1.00 1.35 C ATOM 594 CD GLN A 39 -20.716 -10.723 -4.896 1.00 53.35 C ATOM 595 OE1 GLN A 39 -20.618 -11.087 -3.725 1.00 32.14 O ATOM 596 NE2 GLN A 39 -20.117 -11.409 -5.844 1.00 64.52 N ATOM 0 H GLN A 39 -20.848 -5.962 -5.605 1.00 24.44 H new ATOM 0 HA GLN A 39 -23.285 -7.504 -4.986 1.00 70.42 H new ATOM 0 HB2 GLN A 39 -20.405 -8.038 -4.146 1.00 31.25 H new ATOM 0 HB3 GLN A 39 -21.781 -8.737 -3.316 1.00 31.25 H new ATOM 0 HG2 GLN A 39 -22.537 -9.749 -5.491 1.00 1.35 H new ATOM 0 HG3 GLN A 39 -21.099 -9.109 -6.262 1.00 1.35 H new ATOM 0 HE21 GLN A 39 -20.195 -11.111 -6.816 1.00 64.52 H new ATOM 0 HE22 GLN A 39 -19.574 -12.239 -5.607 1.00 64.52 H new ATOM 605 N SER A 40 -22.087 -4.938 -3.625 1.00 52.41 N ATOM 606 CA SER A 40 -21.998 -3.991 -2.523 1.00 51.54 C ATOM 607 C SER A 40 -21.232 -4.586 -1.337 1.00 71.10 C ATOM 608 O SER A 40 -21.650 -4.442 -0.188 1.00 35.33 O ATOM 609 CB SER A 40 -23.406 -3.494 -2.182 1.00 52.54 C ATOM 610 OG SER A 40 -23.439 -2.290 -1.442 1.00 50.21 O ATOM 0 H SER A 40 -21.799 -4.539 -4.518 1.00 52.41 H new ATOM 0 HA SER A 40 -21.412 -3.120 -2.815 1.00 51.54 H new ATOM 0 HB2 SER A 40 -23.962 -3.351 -3.109 1.00 52.54 H new ATOM 0 HB3 SER A 40 -23.924 -4.268 -1.616 1.00 52.54 H new ATOM 0 HG SER A 40 -22.597 -1.805 -1.568 1.00 50.21 H new ATOM 616 N CYS A 41 -20.134 -5.294 -1.614 1.00 14.10 N ATOM 617 CA CYS A 41 -19.330 -5.952 -0.589 1.00 45.32 C ATOM 618 C CYS A 41 -17.851 -5.753 -0.890 1.00 2.32 C ATOM 619 O CYS A 41 -17.474 -5.432 -2.013 1.00 44.02 O ATOM 620 CB CYS A 41 -19.676 -7.447 -0.571 1.00 12.51 C ATOM 621 SG CYS A 41 -21.374 -7.696 0.014 1.00 70.33 S ATOM 0 H CYS A 41 -19.779 -5.426 -2.561 1.00 14.10 H new ATOM 0 HA CYS A 41 -19.545 -5.520 0.388 1.00 45.32 H new ATOM 0 HB2 CYS A 41 -19.564 -7.865 -1.572 1.00 12.51 H new ATOM 0 HB3 CYS A 41 -18.980 -7.980 0.076 1.00 12.51 H new ATOM 0 HG CYS A 41 -22.210 -7.297 -0.898 1.00 70.33 H new ATOM 627 N TRP A 42 -16.996 -5.975 0.102 1.00 55.13 N ATOM 628 CA TRP A 42 -15.556 -5.986 -0.076 1.00 63.52 C ATOM 629 C TRP A 42 -15.208 -7.330 -0.685 1.00 61.14 C ATOM 630 O TRP A 42 -15.298 -8.366 -0.017 1.00 54.02 O ATOM 631 CB TRP A 42 -14.866 -5.741 1.266 1.00 10.03 C ATOM 632 CG TRP A 42 -15.166 -4.376 1.792 1.00 24.31 C ATOM 633 CD1 TRP A 42 -16.019 -4.077 2.796 1.00 41.42 C ATOM 634 CD2 TRP A 42 -14.674 -3.102 1.286 1.00 53.22 C ATOM 635 NE1 TRP A 42 -16.101 -2.707 2.936 1.00 54.22 N ATOM 636 CE2 TRP A 42 -15.291 -2.054 2.030 1.00 40.44 C ATOM 637 CE3 TRP A 42 -13.764 -2.733 0.274 1.00 2.31 C ATOM 638 CZ2 TRP A 42 -15.025 -0.701 1.769 1.00 62.31 C ATOM 639 CZ3 TRP A 42 -13.468 -1.381 0.024 1.00 34.40 C ATOM 640 CH2 TRP A 42 -14.105 -0.367 0.759 1.00 3.44 C ATOM 0 H TRP A 42 -17.291 -6.154 1.062 1.00 55.13 H new ATOM 0 HA TRP A 42 -15.212 -5.191 -0.738 1.00 63.52 H new ATOM 0 HB2 TRP A 42 -15.193 -6.490 1.987 1.00 10.03 H new ATOM 0 HB3 TRP A 42 -13.789 -5.859 1.150 1.00 10.03 H new ATOM 0 HD1 TRP A 42 -16.554 -4.798 3.396 1.00 41.42 H new ATOM 0 HE1 TRP A 42 -16.688 -2.235 3.624 1.00 54.22 H new ATOM 0 HE3 TRP A 42 -13.287 -3.500 -0.318 1.00 2.31 H new ATOM 0 HZ2 TRP A 42 -15.520 0.073 2.336 1.00 62.31 H new ATOM 0 HZ3 TRP A 42 -12.747 -1.121 -0.737 1.00 34.40 H new ATOM 0 HH2 TRP A 42 -13.888 0.670 0.548 1.00 3.44 H new ATOM 651 N LYS A 43 -14.907 -7.356 -1.980 1.00 64.14 N ATOM 652 CA LYS A 43 -14.448 -8.501 -2.692 1.00 3.21 C ATOM 653 C LYS A 43 -13.208 -9.019 -2.000 1.00 11.22 C ATOM 654 O LYS A 43 -12.324 -8.230 -1.681 1.00 62.13 O ATOM 655 CB LYS A 43 -14.098 -7.998 -4.096 1.00 63.11 C ATOM 656 CG LYS A 43 -14.589 -9.042 -5.054 1.00 21.31 C ATOM 657 CD LYS A 43 -14.133 -8.813 -6.493 1.00 64.43 C ATOM 658 CE LYS A 43 -14.793 -7.536 -7.030 1.00 71.41 C ATOM 659 NZ LYS A 43 -14.595 -7.314 -8.471 1.00 12.00 N ATOM 0 H LYS A 43 -14.987 -6.529 -2.572 1.00 64.14 H new ATOM 0 HA LYS A 43 -15.186 -9.302 -2.734 1.00 3.21 H new ATOM 0 HB2 LYS A 43 -14.572 -7.036 -4.293 1.00 63.11 H new ATOM 0 HB3 LYS A 43 -13.023 -7.851 -4.199 1.00 63.11 H new ATOM 0 HG2 LYS A 43 -14.241 -10.020 -4.722 1.00 21.31 H new ATOM 0 HG3 LYS A 43 -15.678 -9.065 -5.026 1.00 21.31 H new ATOM 0 HD2 LYS A 43 -13.048 -8.721 -6.534 1.00 64.43 H new ATOM 0 HD3 LYS A 43 -14.404 -9.667 -7.114 1.00 64.43 H new ATOM 0 HE2 LYS A 43 -15.863 -7.579 -6.824 1.00 71.41 H new ATOM 0 HE3 LYS A 43 -14.398 -6.679 -6.484 1.00 71.41 H new ATOM 0 HZ1 LYS A 43 -15.070 -6.434 -8.755 1.00 12.00 H new ATOM 0 HZ2 LYS A 43 -13.578 -7.240 -8.674 1.00 12.00 H new ATOM 0 HZ3 LYS A 43 -14.997 -8.112 -9.004 1.00 12.00 H new ATOM 673 N THR A 44 -13.099 -10.331 -1.842 1.00 14.32 N ATOM 674 CA THR A 44 -11.854 -10.931 -1.389 1.00 35.12 C ATOM 675 C THR A 44 -11.497 -12.170 -2.223 1.00 1.33 C ATOM 676 O THR A 44 -10.576 -12.902 -1.889 1.00 11.13 O ATOM 677 CB THR A 44 -11.840 -11.127 0.144 1.00 65.33 C ATOM 678 OG1 THR A 44 -13.005 -11.766 0.613 1.00 54.11 O ATOM 679 CG2 THR A 44 -11.634 -9.821 0.913 1.00 42.31 C ATOM 0 H THR A 44 -13.852 -10.995 -2.020 1.00 14.32 H new ATOM 0 HA THR A 44 -11.034 -10.236 -1.572 1.00 35.12 H new ATOM 0 HB THR A 44 -10.982 -11.772 0.335 1.00 65.33 H new ATOM 0 HG1 THR A 44 -12.952 -11.870 1.586 1.00 54.11 H new ATOM 0 HG21 THR A 44 -11.634 -10.025 1.984 1.00 42.31 H new ATOM 0 HG22 THR A 44 -10.680 -9.378 0.628 1.00 42.31 H new ATOM 0 HG23 THR A 44 -12.441 -9.128 0.676 1.00 42.31 H new ATOM 687 N ASP A 45 -12.123 -12.381 -3.384 1.00 12.41 N ATOM 688 CA ASP A 45 -11.734 -13.466 -4.293 1.00 40.13 C ATOM 689 C ASP A 45 -10.302 -13.252 -4.797 1.00 54.33 C ATOM 690 O ASP A 45 -9.605 -14.198 -5.158 1.00 23.22 O ATOM 691 CB ASP A 45 -12.610 -13.435 -5.546 1.00 13.22 C ATOM 692 CG ASP A 45 -14.060 -13.893 -5.388 1.00 35.34 C ATOM 693 OD1 ASP A 45 -14.352 -14.736 -4.512 1.00 61.41 O ATOM 694 OD2 ASP A 45 -14.912 -13.441 -6.185 1.00 3.03 O ATOM 0 H ASP A 45 -12.903 -11.815 -3.718 1.00 12.41 H new ATOM 0 HA ASP A 45 -11.834 -14.401 -3.743 1.00 40.13 H new ATOM 0 HB2 ASP A 45 -12.616 -12.415 -5.930 1.00 13.22 H new ATOM 0 HB3 ASP A 45 -12.138 -14.059 -6.305 1.00 13.22 H new ATOM 699 N LEU A 46 -9.882 -11.987 -4.898 1.00 63.11 N ATOM 700 CA LEU A 46 -8.676 -11.581 -5.611 1.00 2.04 C ATOM 701 C LEU A 46 -7.438 -11.550 -4.711 1.00 23.22 C ATOM 702 O LEU A 46 -6.361 -11.177 -5.174 1.00 70.12 O ATOM 703 CB LEU A 46 -8.906 -10.207 -6.256 1.00 51.54 C ATOM 704 CG LEU A 46 -9.998 -10.181 -7.339 1.00 0.43 C ATOM 705 CD1 LEU A 46 -10.109 -8.773 -7.919 1.00 21.51 C ATOM 706 CD2 LEU A 46 -9.725 -11.152 -8.493 1.00 32.31 C ATOM 0 H LEU A 46 -10.383 -11.205 -4.477 1.00 63.11 H new ATOM 0 HA LEU A 46 -8.479 -12.327 -6.381 1.00 2.04 H new ATOM 0 HB2 LEU A 46 -9.170 -9.494 -5.475 1.00 51.54 H new ATOM 0 HB3 LEU A 46 -7.969 -9.866 -6.696 1.00 51.54 H new ATOM 0 HG LEU A 46 -10.923 -10.489 -6.852 1.00 0.43 H new ATOM 0 HD11 LEU A 46 -10.883 -8.756 -8.686 1.00 21.51 H new ATOM 0 HD12 LEU A 46 -10.369 -8.072 -7.126 1.00 21.51 H new ATOM 0 HD13 LEU A 46 -9.155 -8.485 -8.360 1.00 21.51 H new ATOM 0 HD21 LEU A 46 -10.532 -11.085 -9.223 1.00 32.31 H new ATOM 0 HD22 LEU A 46 -8.780 -10.892 -8.971 1.00 32.31 H new ATOM 0 HD23 LEU A 46 -9.668 -12.170 -8.107 1.00 32.31 H new ATOM 718 N VAL A 47 -7.594 -11.886 -3.432 1.00 23.14 N ATOM 719 CA VAL A 47 -6.556 -11.788 -2.394 1.00 32.35 C ATOM 720 C VAL A 47 -6.161 -13.182 -1.913 1.00 61.45 C ATOM 721 O VAL A 47 -6.957 -14.117 -1.991 1.00 34.41 O ATOM 722 CB VAL A 47 -7.017 -10.815 -1.273 1.00 50.02 C ATOM 723 CG1 VAL A 47 -8.450 -11.017 -0.867 1.00 53.45 C ATOM 724 CG2 VAL A 47 -6.176 -10.769 0.005 1.00 75.32 C ATOM 0 H VAL A 47 -8.477 -12.248 -3.071 1.00 23.14 H new ATOM 0 HA VAL A 47 -5.643 -11.353 -2.800 1.00 32.35 H new ATOM 0 HB VAL A 47 -6.876 -9.858 -1.776 1.00 50.02 H new ATOM 0 HG11 VAL A 47 -8.709 -10.307 -0.081 1.00 53.45 H new ATOM 0 HG12 VAL A 47 -9.098 -10.857 -1.729 1.00 53.45 H new ATOM 0 HG13 VAL A 47 -8.583 -12.033 -0.496 1.00 53.45 H new ATOM 0 HG21 VAL A 47 -6.610 -10.050 0.700 1.00 75.32 H new ATOM 0 HG22 VAL A 47 -6.161 -11.756 0.466 1.00 75.32 H new ATOM 0 HG23 VAL A 47 -5.158 -10.467 -0.240 1.00 75.32 H new ATOM 734 N ALA A 48 -4.933 -13.326 -1.409 1.00 1.10 N ATOM 735 CA ALA A 48 -4.457 -14.574 -0.831 1.00 12.14 C ATOM 736 C ALA A 48 -5.321 -14.951 0.377 1.00 42.43 C ATOM 737 O ALA A 48 -5.784 -14.056 1.095 1.00 10.51 O ATOM 738 CB ALA A 48 -2.994 -14.429 -0.402 1.00 13.11 C ATOM 0 H ALA A 48 -4.243 -12.575 -1.393 1.00 1.10 H new ATOM 0 HA ALA A 48 -4.529 -15.362 -1.580 1.00 12.14 H new ATOM 0 HB1 ALA A 48 -2.647 -15.368 0.029 1.00 13.11 H new ATOM 0 HB2 ALA A 48 -2.383 -14.180 -1.270 1.00 13.11 H new ATOM 0 HB3 ALA A 48 -2.909 -13.635 0.340 1.00 13.11 H new ATOM 744 N PRO A 49 -5.475 -16.249 0.677 1.00 23.25 N ATOM 745 CA PRO A 49 -6.299 -16.687 1.787 1.00 3.23 C ATOM 746 C PRO A 49 -5.707 -16.187 3.102 1.00 34.11 C ATOM 747 O PRO A 49 -6.462 -15.793 3.980 1.00 20.13 O ATOM 748 CB PRO A 49 -6.363 -18.209 1.697 1.00 72.33 C ATOM 749 CG PRO A 49 -5.116 -18.595 0.908 1.00 5.35 C ATOM 750 CD PRO A 49 -4.830 -17.378 0.031 1.00 73.51 C ATOM 0 HA PRO A 49 -7.310 -16.280 1.746 1.00 3.23 H new ATOM 0 HB2 PRO A 49 -6.364 -18.666 2.687 1.00 72.33 H new ATOM 0 HB3 PRO A 49 -7.271 -18.539 1.192 1.00 72.33 H new ATOM 0 HG2 PRO A 49 -4.278 -18.813 1.570 1.00 5.35 H new ATOM 0 HG3 PRO A 49 -5.287 -19.487 0.306 1.00 5.35 H new ATOM 0 HD2 PRO A 49 -3.757 -17.211 -0.064 1.00 73.51 H new ATOM 0 HD3 PRO A 49 -5.220 -17.524 -0.976 1.00 73.51 H new ATOM 758 N GLU A 50 -4.377 -16.117 3.216 1.00 53.41 N ATOM 759 CA GLU A 50 -3.673 -15.672 4.414 1.00 11.41 C ATOM 760 C GLU A 50 -4.008 -14.233 4.811 1.00 13.42 C ATOM 761 O GLU A 50 -3.885 -13.880 5.980 1.00 33.12 O ATOM 762 CB GLU A 50 -2.159 -15.846 4.224 1.00 14.01 C ATOM 763 CG GLU A 50 -1.500 -14.873 3.224 1.00 31.32 C ATOM 764 CD GLU A 50 0.028 -15.012 3.206 1.00 53.51 C ATOM 765 OE1 GLU A 50 0.532 -16.155 3.292 1.00 11.25 O ATOM 766 OE2 GLU A 50 0.728 -13.968 3.169 1.00 34.52 O ATOM 0 H GLU A 50 -3.748 -16.376 2.456 1.00 53.41 H new ATOM 0 HA GLU A 50 -4.015 -16.299 5.237 1.00 11.41 H new ATOM 0 HB2 GLU A 50 -1.673 -15.729 5.193 1.00 14.01 H new ATOM 0 HB3 GLU A 50 -1.967 -16.866 3.892 1.00 14.01 H new ATOM 0 HG2 GLU A 50 -1.892 -15.060 2.224 1.00 31.32 H new ATOM 0 HG3 GLU A 50 -1.768 -13.849 3.485 1.00 31.32 H new ATOM 773 N TRP A 51 -4.416 -13.393 3.857 1.00 63.20 N ATOM 774 CA TRP A 51 -4.791 -12.013 4.120 1.00 34.30 C ATOM 775 C TRP A 51 -6.242 -11.966 4.565 1.00 12.41 C ATOM 776 O TRP A 51 -6.540 -11.544 5.679 1.00 52.21 O ATOM 777 CB TRP A 51 -4.537 -11.154 2.879 1.00 2.44 C ATOM 778 CG TRP A 51 -3.198 -10.504 2.866 1.00 2.23 C ATOM 779 CD1 TRP A 51 -2.120 -10.963 2.202 1.00 5.43 C ATOM 780 CD2 TRP A 51 -2.769 -9.285 3.545 1.00 70.44 C ATOM 781 NE1 TRP A 51 -1.043 -10.146 2.458 1.00 4.12 N ATOM 782 CE2 TRP A 51 -1.376 -9.099 3.293 1.00 64.23 C ATOM 783 CE3 TRP A 51 -3.415 -8.322 4.349 1.00 32.42 C ATOM 784 CZ2 TRP A 51 -0.643 -8.039 3.851 1.00 3.22 C ATOM 785 CZ3 TRP A 51 -2.705 -7.226 4.867 1.00 4.23 C ATOM 786 CH2 TRP A 51 -1.325 -7.084 4.628 1.00 72.13 C ATOM 0 H TRP A 51 -4.494 -13.659 2.875 1.00 63.20 H new ATOM 0 HA TRP A 51 -4.179 -11.603 4.924 1.00 34.30 H new ATOM 0 HB2 TRP A 51 -4.638 -11.777 1.990 1.00 2.44 H new ATOM 0 HB3 TRP A 51 -5.306 -10.384 2.817 1.00 2.44 H new ATOM 0 HD1 TRP A 51 -2.103 -11.837 1.567 1.00 5.43 H new ATOM 0 HE1 TRP A 51 -0.109 -10.296 2.076 1.00 4.12 H new ATOM 0 HE3 TRP A 51 -4.467 -8.429 4.569 1.00 32.42 H new ATOM 0 HZ2 TRP A 51 0.421 -7.958 3.687 1.00 3.22 H new ATOM 0 HZ3 TRP A 51 -3.224 -6.484 5.455 1.00 4.23 H new ATOM 0 HH2 TRP A 51 -0.789 -6.242 5.041 1.00 72.13 H new ATOM 797 N ARG A 52 -7.158 -12.416 3.706 1.00 51.44 N ATOM 798 CA ARG A 52 -8.595 -12.304 3.947 1.00 64.11 C ATOM 799 C ARG A 52 -9.079 -13.154 5.136 1.00 22.34 C ATOM 800 O ARG A 52 -10.210 -12.970 5.583 1.00 44.33 O ATOM 801 CB ARG A 52 -9.325 -12.632 2.651 1.00 11.11 C ATOM 802 CG ARG A 52 -9.058 -14.062 2.161 1.00 33.15 C ATOM 803 CD ARG A 52 -9.207 -14.115 0.644 1.00 2.40 C ATOM 804 NE ARG A 52 -10.116 -15.186 0.244 1.00 31.03 N ATOM 805 CZ ARG A 52 -10.208 -15.770 -0.952 1.00 55.45 C ATOM 806 NH1 ARG A 52 -9.206 -15.742 -1.823 1.00 22.31 N ATOM 807 NH2 ARG A 52 -11.337 -16.389 -1.261 1.00 42.20 N ATOM 0 H ARG A 52 -6.923 -12.869 2.823 1.00 51.44 H new ATOM 0 HA ARG A 52 -8.825 -11.280 4.242 1.00 64.11 H new ATOM 0 HB2 ARG A 52 -10.397 -12.498 2.800 1.00 11.11 H new ATOM 0 HB3 ARG A 52 -9.020 -11.926 1.879 1.00 11.11 H new ATOM 0 HG2 ARG A 52 -8.055 -14.376 2.450 1.00 33.15 H new ATOM 0 HG3 ARG A 52 -9.756 -14.755 2.630 1.00 33.15 H new ATOM 0 HD2 ARG A 52 -9.582 -13.159 0.278 1.00 2.40 H new ATOM 0 HD3 ARG A 52 -8.231 -14.271 0.184 1.00 2.40 H new ATOM 0 HE ARG A 52 -10.755 -15.527 0.962 1.00 31.03 H new ATOM 0 HH11 ARG A 52 -8.336 -15.265 -1.585 1.00 22.31 H new ATOM 0 HH12 ARG A 52 -9.306 -16.198 -2.730 1.00 22.31 H new ATOM 0 HH21 ARG A 52 -12.107 -16.410 -0.592 1.00 42.20 H new ATOM 0 HH22 ARG A 52 -11.437 -16.845 -2.168 1.00 42.20 H new ATOM 821 N GLN A 53 -8.229 -14.065 5.621 1.00 62.22 N ATOM 822 CA GLN A 53 -8.449 -15.172 6.547 1.00 73.33 C ATOM 823 C GLN A 53 -9.275 -14.838 7.784 1.00 33.10 C ATOM 824 O GLN A 53 -9.995 -15.701 8.279 1.00 24.44 O ATOM 825 CB GLN A 53 -7.062 -15.669 6.997 1.00 63.41 C ATOM 826 CG GLN A 53 -6.898 -17.177 6.810 1.00 51.14 C ATOM 827 CD GLN A 53 -5.451 -17.608 7.054 1.00 5.04 C ATOM 828 OE1 GLN A 53 -4.708 -16.985 7.810 1.00 32.40 O ATOM 829 NE2 GLN A 53 -4.967 -18.675 6.443 1.00 22.53 N ATOM 0 H GLN A 53 -7.250 -14.036 5.335 1.00 62.22 H new ATOM 0 HA GLN A 53 -9.031 -15.921 6.010 1.00 73.33 H new ATOM 0 HB2 GLN A 53 -6.290 -15.149 6.430 1.00 63.41 H new ATOM 0 HB3 GLN A 53 -6.911 -15.417 8.047 1.00 63.41 H new ATOM 0 HG2 GLN A 53 -7.559 -17.706 7.497 1.00 51.14 H new ATOM 0 HG3 GLN A 53 -7.198 -17.456 5.800 1.00 51.14 H new ATOM 0 HE21 GLN A 53 -5.559 -19.213 5.810 1.00 22.53 H new ATOM 0 HE22 GLN A 53 -4.001 -18.961 6.605 1.00 22.53 H new ATOM 838 N ASP A 54 -9.118 -13.628 8.305 1.00 14.13 N ATOM 839 CA ASP A 54 -9.768 -13.144 9.519 1.00 21.55 C ATOM 840 C ASP A 54 -10.095 -11.649 9.334 1.00 33.14 C ATOM 841 O ASP A 54 -10.249 -10.914 10.308 1.00 54.14 O ATOM 842 CB ASP A 54 -8.841 -13.361 10.735 1.00 25.12 C ATOM 843 CG ASP A 54 -8.858 -14.769 11.350 1.00 71.14 C ATOM 844 OD1 ASP A 54 -9.943 -15.243 11.759 1.00 11.33 O ATOM 845 OD2 ASP A 54 -7.765 -15.367 11.503 1.00 33.33 O ATOM 0 H ASP A 54 -8.511 -12.928 7.878 1.00 14.13 H new ATOM 0 HA ASP A 54 -10.691 -13.695 9.701 1.00 21.55 H new ATOM 0 HB2 ASP A 54 -7.819 -13.129 10.434 1.00 25.12 H new ATOM 0 HB3 ASP A 54 -9.116 -12.644 11.509 1.00 25.12 H new ATOM 850 N TYR A 55 -10.123 -11.160 8.089 1.00 74.41 N ATOM 851 CA TYR A 55 -10.180 -9.752 7.713 1.00 13.22 C ATOM 852 C TYR A 55 -11.546 -9.495 7.057 1.00 42.11 C ATOM 853 O TYR A 55 -11.660 -9.588 5.828 1.00 50.31 O ATOM 854 CB TYR A 55 -9.005 -9.387 6.781 1.00 15.31 C ATOM 855 CG TYR A 55 -7.688 -9.063 7.471 1.00 64.23 C ATOM 856 CD1 TYR A 55 -7.140 -9.941 8.426 1.00 54.12 C ATOM 857 CD2 TYR A 55 -7.016 -7.855 7.186 1.00 74.20 C ATOM 858 CE1 TYR A 55 -6.002 -9.579 9.159 1.00 12.12 C ATOM 859 CE2 TYR A 55 -5.866 -7.494 7.909 1.00 60.22 C ATOM 860 CZ TYR A 55 -5.373 -8.339 8.925 1.00 62.21 C ATOM 861 OH TYR A 55 -4.322 -7.955 9.702 1.00 75.14 O ATOM 0 H TYR A 55 -10.105 -11.774 7.275 1.00 74.41 H new ATOM 0 HA TYR A 55 -10.080 -9.114 8.591 1.00 13.22 H new ATOM 0 HB2 TYR A 55 -8.839 -10.217 6.095 1.00 15.31 H new ATOM 0 HB3 TYR A 55 -9.298 -8.528 6.177 1.00 15.31 H new ATOM 0 HD1 TYR A 55 -7.601 -10.903 8.595 1.00 54.12 H new ATOM 0 HD2 TYR A 55 -7.387 -7.204 6.408 1.00 74.20 H new ATOM 0 HE1 TYR A 55 -5.606 -10.252 9.905 1.00 12.12 H new ATOM 0 HE2 TYR A 55 -5.359 -6.567 7.686 1.00 60.22 H new ATOM 0 HH TYR A 55 -3.836 -8.748 10.010 1.00 75.14 H new ATOM 871 N PRO A 56 -12.609 -9.229 7.837 1.00 74.01 N ATOM 872 CA PRO A 56 -13.942 -8.968 7.307 1.00 14.30 C ATOM 873 C PRO A 56 -14.042 -7.622 6.588 1.00 33.04 C ATOM 874 O PRO A 56 -14.913 -7.469 5.731 1.00 10.31 O ATOM 875 CB PRO A 56 -14.884 -9.015 8.514 1.00 40.04 C ATOM 876 CG PRO A 56 -13.982 -8.609 9.677 1.00 73.02 C ATOM 877 CD PRO A 56 -12.638 -9.222 9.290 1.00 52.54 C ATOM 0 HA PRO A 56 -14.201 -9.711 6.552 1.00 14.30 H new ATOM 0 HB2 PRO A 56 -15.723 -8.329 8.397 1.00 40.04 H new ATOM 0 HB3 PRO A 56 -15.304 -10.010 8.659 1.00 40.04 H new ATOM 0 HG2 PRO A 56 -13.918 -7.526 9.781 1.00 73.02 H new ATOM 0 HG3 PRO A 56 -14.346 -8.999 10.627 1.00 73.02 H new ATOM 0 HD2 PRO A 56 -11.811 -8.638 9.695 1.00 52.54 H new ATOM 0 HD3 PRO A 56 -12.540 -10.232 9.688 1.00 52.54 H new ATOM 885 N GLU A 57 -13.131 -6.688 6.844 1.00 75.02 N ATOM 886 CA GLU A 57 -13.109 -5.360 6.226 1.00 22.45 C ATOM 887 C GLU A 57 -11.755 -5.134 5.544 1.00 53.31 C ATOM 888 O GLU A 57 -10.804 -5.881 5.807 1.00 63.14 O ATOM 889 CB GLU A 57 -13.414 -4.281 7.288 1.00 64.14 C ATOM 890 CG GLU A 57 -14.895 -3.886 7.264 1.00 41.31 C ATOM 891 CD GLU A 57 -15.183 -2.745 8.242 1.00 75.04 C ATOM 892 OE1 GLU A 57 -14.943 -1.565 7.910 1.00 53.10 O ATOM 893 OE2 GLU A 57 -15.654 -3.037 9.367 1.00 61.12 O ATOM 0 H GLU A 57 -12.367 -6.834 7.503 1.00 75.02 H new ATOM 0 HA GLU A 57 -13.882 -5.290 5.460 1.00 22.45 H new ATOM 0 HB2 GLU A 57 -13.150 -4.655 8.277 1.00 64.14 H new ATOM 0 HB3 GLU A 57 -12.797 -3.401 7.105 1.00 64.14 H new ATOM 0 HG2 GLU A 57 -15.176 -3.583 6.255 1.00 41.31 H new ATOM 0 HG3 GLU A 57 -15.508 -4.750 7.520 1.00 41.31 H new ATOM 900 N PRO A 58 -11.629 -4.121 4.670 1.00 3.22 N ATOM 901 CA PRO A 58 -10.341 -3.781 4.094 1.00 34.42 C ATOM 902 C PRO A 58 -9.410 -3.254 5.198 1.00 74.52 C ATOM 903 O PRO A 58 -9.884 -2.726 6.211 1.00 75.11 O ATOM 904 CB PRO A 58 -10.656 -2.745 3.022 1.00 62.42 C ATOM 905 CG PRO A 58 -11.886 -2.033 3.565 1.00 73.52 C ATOM 906 CD PRO A 58 -12.647 -3.182 4.220 1.00 12.33 C ATOM 0 HA PRO A 58 -9.816 -4.628 3.652 1.00 34.42 H new ATOM 0 HB2 PRO A 58 -9.825 -2.055 2.875 1.00 62.42 H new ATOM 0 HB3 PRO A 58 -10.856 -3.213 2.058 1.00 62.42 H new ATOM 0 HG2 PRO A 58 -11.625 -1.254 4.282 1.00 73.52 H new ATOM 0 HG3 PRO A 58 -12.465 -1.557 2.774 1.00 73.52 H new ATOM 0 HD2 PRO A 58 -13.249 -2.827 5.056 1.00 12.33 H new ATOM 0 HD3 PRO A 58 -13.330 -3.653 3.513 1.00 12.33 H new ATOM 914 N PRO A 59 -8.086 -3.379 5.028 1.00 43.23 N ATOM 915 CA PRO A 59 -7.140 -2.955 6.042 1.00 55.31 C ATOM 916 C PRO A 59 -7.041 -1.433 6.086 1.00 44.43 C ATOM 917 O PRO A 59 -6.702 -0.803 5.083 1.00 63.55 O ATOM 918 CB PRO A 59 -5.818 -3.628 5.692 1.00 72.44 C ATOM 919 CG PRO A 59 -5.920 -3.896 4.192 1.00 44.34 C ATOM 920 CD PRO A 59 -7.411 -4.085 3.952 1.00 3.54 C ATOM 0 HA PRO A 59 -7.452 -3.249 7.044 1.00 55.31 H new ATOM 0 HB2 PRO A 59 -4.970 -2.985 5.925 1.00 72.44 H new ATOM 0 HB3 PRO A 59 -5.681 -4.552 6.253 1.00 72.44 H new ATOM 0 HG2 PRO A 59 -5.524 -3.064 3.610 1.00 44.34 H new ATOM 0 HG3 PRO A 59 -5.354 -4.782 3.906 1.00 44.34 H new ATOM 0 HD2 PRO A 59 -7.703 -3.686 2.981 1.00 3.54 H new ATOM 0 HD3 PRO A 59 -7.675 -5.143 3.954 1.00 3.54 H new ATOM 928 N ASP A 60 -7.339 -0.833 7.238 1.00 43.44 N ATOM 929 CA ASP A 60 -7.248 0.609 7.433 1.00 64.23 C ATOM 930 C ASP A 60 -5.850 0.950 7.934 1.00 45.01 C ATOM 931 O ASP A 60 -5.484 0.588 9.060 1.00 25.03 O ATOM 932 CB ASP A 60 -8.310 1.093 8.422 1.00 41.00 C ATOM 933 CG ASP A 60 -8.485 2.605 8.338 1.00 65.24 C ATOM 934 OD1 ASP A 60 -7.464 3.331 8.333 1.00 54.10 O ATOM 935 OD2 ASP A 60 -9.662 3.028 8.268 1.00 34.03 O ATOM 0 H ASP A 60 -7.652 -1.339 8.066 1.00 43.44 H new ATOM 0 HA ASP A 60 -7.429 1.115 6.485 1.00 64.23 H new ATOM 0 HB2 ASP A 60 -9.260 0.601 8.211 1.00 41.00 H new ATOM 0 HB3 ASP A 60 -8.023 0.812 9.435 1.00 41.00 H new ATOM 940 N PHE A 61 -5.029 1.592 7.099 1.00 63.11 N ATOM 941 CA PHE A 61 -3.700 2.033 7.516 1.00 34.52 C ATOM 942 C PHE A 61 -3.692 3.517 7.919 1.00 73.44 C ATOM 943 O PHE A 61 -2.621 4.057 8.176 1.00 64.40 O ATOM 944 CB PHE A 61 -2.679 1.749 6.407 1.00 64.32 C ATOM 945 CG PHE A 61 -2.654 0.314 5.901 1.00 42.41 C ATOM 946 CD1 PHE A 61 -3.510 -0.056 4.854 1.00 42.11 C ATOM 947 CD2 PHE A 61 -1.753 -0.638 6.417 1.00 52.23 C ATOM 948 CE1 PHE A 61 -3.438 -1.336 4.293 1.00 14.32 C ATOM 949 CE2 PHE A 61 -1.714 -1.941 5.882 1.00 2.43 C ATOM 950 CZ PHE A 61 -2.561 -2.292 4.817 1.00 53.21 C ATOM 0 H PHE A 61 -5.263 1.817 6.132 1.00 63.11 H new ATOM 0 HA PHE A 61 -3.416 1.465 8.402 1.00 34.52 H new ATOM 0 HB2 PHE A 61 -2.887 2.410 5.566 1.00 64.32 H new ATOM 0 HB3 PHE A 61 -1.686 2.005 6.776 1.00 64.32 H new ATOM 0 HD1 PHE A 61 -4.232 0.654 4.477 1.00 42.11 H new ATOM 0 HD2 PHE A 61 -1.090 -0.368 7.226 1.00 52.23 H new ATOM 0 HE1 PHE A 61 -4.064 -1.588 3.450 1.00 14.32 H new ATOM 0 HE2 PHE A 61 -1.032 -2.671 6.291 1.00 2.43 H new ATOM 0 HZ PHE A 61 -2.535 -3.291 4.407 1.00 53.21 H new ATOM 960 N ILE A 62 -4.837 4.210 7.929 1.00 24.10 N ATOM 961 CA ILE A 62 -4.932 5.664 8.082 1.00 33.23 C ATOM 962 C ILE A 62 -5.344 5.965 9.524 1.00 71.41 C ATOM 963 O ILE A 62 -4.663 6.719 10.227 1.00 32.42 O ATOM 964 CB ILE A 62 -5.920 6.272 7.048 1.00 13.13 C ATOM 965 CG1 ILE A 62 -5.573 5.831 5.607 1.00 12.23 C ATOM 966 CG2 ILE A 62 -5.942 7.808 7.199 1.00 70.42 C ATOM 967 CD1 ILE A 62 -6.603 6.264 4.565 1.00 40.51 C ATOM 0 H ILE A 62 -5.747 3.761 7.828 1.00 24.10 H new ATOM 0 HA ILE A 62 -3.966 6.129 7.883 1.00 33.23 H new ATOM 0 HB ILE A 62 -6.923 5.894 7.248 1.00 13.13 H new ATOM 0 HG12 ILE A 62 -4.601 6.242 5.336 1.00 12.23 H new ATOM 0 HG13 ILE A 62 -5.479 4.745 5.582 1.00 12.23 H new ATOM 0 HG21 ILE A 62 -6.635 8.235 6.474 1.00 70.42 H new ATOM 0 HG22 ILE A 62 -6.264 8.070 8.207 1.00 70.42 H new ATOM 0 HG23 ILE A 62 -4.942 8.205 7.023 1.00 70.42 H new ATOM 0 HD11 ILE A 62 -6.291 5.919 3.579 1.00 40.51 H new ATOM 0 HD12 ILE A 62 -7.573 5.832 4.811 1.00 40.51 H new ATOM 0 HD13 ILE A 62 -6.681 7.351 4.560 1.00 40.51 H new ATOM 979 N ALA A 63 -6.455 5.379 9.970 1.00 32.35 N ATOM 980 CA ALA A 63 -6.900 5.421 11.355 1.00 40.22 C ATOM 981 C ALA A 63 -6.057 4.493 12.235 1.00 70.21 C ATOM 982 O ALA A 63 -5.830 4.789 13.410 1.00 61.45 O ATOM 983 CB ALA A 63 -8.367 4.984 11.407 1.00 20.52 C ATOM 0 H ALA A 63 -7.081 4.851 9.362 1.00 32.35 H new ATOM 0 HA ALA A 63 -6.788 6.437 11.734 1.00 40.22 H new ATOM 0 HB1 ALA A 63 -8.718 5.009 12.439 1.00 20.52 H new ATOM 0 HB2 ALA A 63 -8.970 5.661 10.802 1.00 20.52 H new ATOM 0 HB3 ALA A 63 -8.459 3.970 11.017 1.00 20.52 H new ATOM 989 N SER A 64 -5.596 3.371 11.677 1.00 12.14 N ATOM 990 CA SER A 64 -5.110 2.228 12.438 1.00 13.04 C ATOM 991 C SER A 64 -3.695 1.838 12.014 1.00 12.22 C ATOM 992 O SER A 64 -3.088 2.539 11.197 1.00 41.30 O ATOM 993 CB SER A 64 -6.163 1.116 12.321 1.00 62.35 C ATOM 994 OG SER A 64 -6.281 0.432 13.548 1.00 23.32 O ATOM 0 H SER A 64 -5.551 3.234 10.667 1.00 12.14 H new ATOM 0 HA SER A 64 -4.998 2.463 13.496 1.00 13.04 H new ATOM 0 HB2 SER A 64 -7.125 1.543 12.040 1.00 62.35 H new ATOM 0 HB3 SER A 64 -5.881 0.419 11.532 1.00 62.35 H new ATOM 0 HG SER A 64 -6.956 -0.274 13.465 1.00 23.32 H new ATOM 1000 N ARG A 65 -3.115 0.794 12.626 1.00 63.22 N ATOM 1001 CA ARG A 65 -2.017 0.063 11.988 1.00 42.34 C ATOM 1002 C ARG A 65 -1.929 -1.422 12.397 1.00 70.14 C ATOM 1003 O ARG A 65 -0.826 -1.903 12.672 1.00 54.32 O ATOM 1004 CB ARG A 65 -0.688 0.836 12.221 1.00 61.53 C ATOM 1005 CG ARG A 65 -0.236 1.183 13.656 1.00 2.13 C ATOM 1006 CD ARG A 65 0.409 0.013 14.410 1.00 71.22 C ATOM 1007 NE ARG A 65 1.090 0.437 15.639 1.00 62.43 N ATOM 1008 CZ ARG A 65 1.566 -0.386 16.580 1.00 20.23 C ATOM 1009 NH1 ARG A 65 1.591 -1.705 16.394 1.00 43.12 N ATOM 1010 NH2 ARG A 65 2.003 0.127 17.722 1.00 53.33 N ATOM 0 H ARG A 65 -3.384 0.444 13.546 1.00 63.22 H new ATOM 0 HA ARG A 65 -2.221 0.021 10.918 1.00 42.34 H new ATOM 0 HB2 ARG A 65 0.110 0.253 11.762 1.00 61.53 H new ATOM 0 HB3 ARG A 65 -0.757 1.773 11.668 1.00 61.53 H new ATOM 0 HG2 ARG A 65 0.474 2.009 13.612 1.00 2.13 H new ATOM 0 HG3 ARG A 65 -1.099 1.535 14.222 1.00 2.13 H new ATOM 0 HD2 ARG A 65 -0.358 -0.720 14.659 1.00 71.22 H new ATOM 0 HD3 ARG A 65 1.125 -0.485 13.756 1.00 71.22 H new ATOM 0 HE ARG A 65 1.210 1.439 15.787 1.00 62.43 H new ATOM 0 HH11 ARG A 65 1.243 -2.104 15.522 1.00 43.12 H new ATOM 0 HH12 ARG A 65 1.958 -2.316 17.124 1.00 43.12 H new ATOM 0 HH21 ARG A 65 1.973 1.135 17.873 1.00 53.33 H new ATOM 0 HH22 ARG A 65 2.369 -0.487 18.450 1.00 53.33 H new ATOM 1024 N PRO A 66 -2.988 -2.249 12.320 1.00 31.34 N ATOM 1025 CA PRO A 66 -2.843 -3.683 12.549 1.00 42.12 C ATOM 1026 C PRO A 66 -2.185 -4.311 11.323 1.00 73.23 C ATOM 1027 O PRO A 66 -1.111 -4.913 11.426 1.00 45.34 O ATOM 1028 CB PRO A 66 -4.254 -4.216 12.822 1.00 63.14 C ATOM 1029 CG PRO A 66 -5.167 -3.212 12.119 1.00 72.14 C ATOM 1030 CD PRO A 66 -4.395 -1.900 12.226 1.00 61.54 C ATOM 0 HA PRO A 66 -2.204 -3.926 13.398 1.00 42.12 H new ATOM 0 HB2 PRO A 66 -4.385 -5.222 12.424 1.00 63.14 H new ATOM 0 HB3 PRO A 66 -4.463 -4.266 13.891 1.00 63.14 H new ATOM 0 HG2 PRO A 66 -5.346 -3.490 11.080 1.00 72.14 H new ATOM 0 HG3 PRO A 66 -6.141 -3.146 12.604 1.00 72.14 H new ATOM 0 HD2 PRO A 66 -4.580 -1.270 11.356 1.00 61.54 H new ATOM 0 HD3 PRO A 66 -4.713 -1.335 13.102 1.00 61.54 H new ATOM 1038 N ALA A 67 -2.783 -4.105 10.147 1.00 61.35 N ATOM 1039 CA ALA A 67 -2.358 -4.720 8.906 1.00 4.10 C ATOM 1040 C ALA A 67 -0.942 -4.312 8.519 1.00 41.23 C ATOM 1041 O ALA A 67 -0.305 -5.044 7.774 1.00 74.43 O ATOM 1042 CB ALA A 67 -3.337 -4.346 7.803 1.00 40.31 C ATOM 0 H ALA A 67 -3.591 -3.492 10.038 1.00 61.35 H new ATOM 0 HA ALA A 67 -2.349 -5.801 9.047 1.00 4.10 H new ATOM 0 HB1 ALA A 67 -3.023 -4.806 6.866 1.00 40.31 H new ATOM 0 HB2 ALA A 67 -4.334 -4.701 8.065 1.00 40.31 H new ATOM 0 HB3 ALA A 67 -3.357 -3.262 7.686 1.00 40.31 H new ATOM 1048 N THR A 68 -0.412 -3.200 9.035 1.00 51.54 N ATOM 1049 CA THR A 68 0.968 -2.778 8.832 1.00 53.13 C ATOM 1050 C THR A 68 1.976 -3.902 9.108 1.00 31.53 C ATOM 1051 O THR A 68 2.941 -4.027 8.352 1.00 34.11 O ATOM 1052 CB THR A 68 1.223 -1.547 9.714 1.00 60.44 C ATOM 1053 OG1 THR A 68 0.343 -0.514 9.320 1.00 1.31 O ATOM 1054 CG2 THR A 68 2.657 -1.034 9.621 1.00 73.34 C ATOM 0 H THR A 68 -0.946 -2.556 9.618 1.00 51.54 H new ATOM 0 HA THR A 68 1.114 -2.519 7.783 1.00 53.13 H new ATOM 0 HB THR A 68 1.052 -1.847 10.748 1.00 60.44 H new ATOM 0 HG1 THR A 68 0.690 0.348 9.632 1.00 1.31 H new ATOM 0 HG21 THR A 68 2.775 -0.164 10.266 1.00 73.34 H new ATOM 0 HG22 THR A 68 3.345 -1.817 9.939 1.00 73.34 H new ATOM 0 HG23 THR A 68 2.877 -0.754 8.591 1.00 73.34 H new ATOM 1062 N VAL A 69 1.755 -4.735 10.132 1.00 1.34 N ATOM 1063 CA VAL A 69 2.650 -5.841 10.471 1.00 41.42 C ATOM 1064 C VAL A 69 2.597 -6.886 9.358 1.00 73.53 C ATOM 1065 O VAL A 69 3.630 -7.278 8.816 1.00 72.55 O ATOM 1066 CB VAL A 69 2.267 -6.434 11.842 1.00 21.45 C ATOM 1067 CG1 VAL A 69 3.265 -7.515 12.284 1.00 44.44 C ATOM 1068 CG2 VAL A 69 2.207 -5.344 12.924 1.00 64.32 C ATOM 0 H VAL A 69 0.947 -4.658 10.749 1.00 1.34 H new ATOM 0 HA VAL A 69 3.676 -5.483 10.553 1.00 41.42 H new ATOM 0 HB VAL A 69 1.280 -6.882 11.724 1.00 21.45 H new ATOM 0 HG11 VAL A 69 2.966 -7.912 13.254 1.00 44.44 H new ATOM 0 HG12 VAL A 69 3.277 -8.321 11.550 1.00 44.44 H new ATOM 0 HG13 VAL A 69 4.261 -7.080 12.362 1.00 44.44 H new ATOM 0 HG21 VAL A 69 1.935 -5.794 13.879 1.00 64.32 H new ATOM 0 HG22 VAL A 69 3.182 -4.866 13.013 1.00 64.32 H new ATOM 0 HG23 VAL A 69 1.461 -4.598 12.648 1.00 64.32 H new ATOM 1078 N LYS A 70 1.382 -7.280 8.972 1.00 32.21 N ATOM 1079 CA LYS A 70 1.118 -8.214 7.886 1.00 43.15 C ATOM 1080 C LYS A 70 1.763 -7.701 6.592 1.00 10.11 C ATOM 1081 O LYS A 70 2.380 -8.454 5.847 1.00 31.55 O ATOM 1082 CB LYS A 70 -0.410 -8.401 7.813 1.00 60.33 C ATOM 1083 CG LYS A 70 -0.852 -9.716 7.164 1.00 74.23 C ATOM 1084 CD LYS A 70 -2.331 -10.005 7.480 1.00 53.21 C ATOM 1085 CE LYS A 70 -2.737 -11.430 7.093 1.00 70.14 C ATOM 1086 NZ LYS A 70 -2.416 -12.430 8.133 1.00 74.12 N ATOM 0 H LYS A 70 0.531 -6.945 9.423 1.00 32.21 H new ATOM 0 HA LYS A 70 1.565 -9.194 8.053 1.00 43.15 H new ATOM 0 HB2 LYS A 70 -0.819 -8.351 8.822 1.00 60.33 H new ATOM 0 HB3 LYS A 70 -0.840 -7.570 7.253 1.00 60.33 H new ATOM 0 HG2 LYS A 70 -0.709 -9.661 6.085 1.00 74.23 H new ATOM 0 HG3 LYS A 70 -0.230 -10.534 7.527 1.00 74.23 H new ATOM 0 HD2 LYS A 70 -2.509 -9.855 8.545 1.00 53.21 H new ATOM 0 HD3 LYS A 70 -2.961 -9.292 6.947 1.00 53.21 H new ATOM 0 HE2 LYS A 70 -3.808 -11.454 6.893 1.00 70.14 H new ATOM 0 HE3 LYS A 70 -2.234 -11.705 6.166 1.00 70.14 H new ATOM 0 HZ1 LYS A 70 -2.805 -13.354 7.857 1.00 74.12 H new ATOM 0 HZ2 LYS A 70 -1.384 -12.505 8.236 1.00 74.12 H new ATOM 0 HZ3 LYS A 70 -2.833 -12.135 9.039 1.00 74.12 H new ATOM 1100 N LEU A 71 1.700 -6.387 6.372 1.00 12.12 N ATOM 1101 CA LEU A 71 2.316 -5.686 5.259 1.00 31.45 C ATOM 1102 C LEU A 71 3.845 -5.720 5.343 1.00 53.42 C ATOM 1103 O LEU A 71 4.496 -5.762 4.309 1.00 0.30 O ATOM 1104 CB LEU A 71 1.813 -4.229 5.248 1.00 44.04 C ATOM 1105 CG LEU A 71 1.676 -3.646 3.839 1.00 4.22 C ATOM 1106 CD1 LEU A 71 0.429 -4.202 3.143 1.00 42.43 C ATOM 1107 CD2 LEU A 71 1.559 -2.123 3.914 1.00 23.11 C ATOM 0 H LEU A 71 1.194 -5.760 6.997 1.00 12.12 H new ATOM 0 HA LEU A 71 2.034 -6.187 4.333 1.00 31.45 H new ATOM 0 HB2 LEU A 71 0.846 -4.182 5.749 1.00 44.04 H new ATOM 0 HB3 LEU A 71 2.501 -3.610 5.824 1.00 44.04 H new ATOM 0 HG LEU A 71 2.562 -3.925 3.269 1.00 4.22 H new ATOM 0 HD11 LEU A 71 0.350 -3.775 2.143 1.00 42.43 H new ATOM 0 HD12 LEU A 71 0.506 -5.287 3.070 1.00 42.43 H new ATOM 0 HD13 LEU A 71 -0.457 -3.940 3.721 1.00 42.43 H new ATOM 0 HD21 LEU A 71 1.462 -1.716 2.908 1.00 23.11 H new ATOM 0 HD22 LEU A 71 0.681 -1.854 4.501 1.00 23.11 H new ATOM 0 HD23 LEU A 71 2.451 -1.712 4.387 1.00 23.11 H new ATOM 1119 N THR A 72 4.446 -5.663 6.539 1.00 34.44 N ATOM 1120 CA THR A 72 5.895 -5.786 6.691 1.00 60.12 C ATOM 1121 C THR A 72 6.352 -7.189 6.286 1.00 54.43 C ATOM 1122 O THR A 72 7.421 -7.325 5.696 1.00 23.45 O ATOM 1123 CB THR A 72 6.338 -5.469 8.132 1.00 5.42 C ATOM 1124 OG1 THR A 72 6.050 -4.133 8.514 1.00 53.21 O ATOM 1125 CG2 THR A 72 7.847 -5.642 8.306 1.00 31.41 C ATOM 0 H THR A 72 3.945 -5.532 7.417 1.00 34.44 H new ATOM 0 HA THR A 72 6.366 -5.057 6.032 1.00 60.12 H new ATOM 0 HB THR A 72 5.780 -6.169 8.753 1.00 5.42 H new ATOM 0 HG1 THR A 72 5.080 -3.994 8.510 1.00 53.21 H new ATOM 0 HG21 THR A 72 8.124 -5.410 9.334 1.00 31.41 H new ATOM 0 HG22 THR A 72 8.124 -6.672 8.079 1.00 31.41 H new ATOM 0 HG23 THR A 72 8.371 -4.968 7.628 1.00 31.41 H new ATOM 1133 N ARG A 73 5.575 -8.235 6.584 1.00 15.11 N ATOM 1134 CA ARG A 73 5.985 -9.604 6.287 1.00 21.30 C ATOM 1135 C ARG A 73 6.287 -9.833 4.807 1.00 44.13 C ATOM 1136 O ARG A 73 7.094 -10.714 4.503 1.00 75.35 O ATOM 1137 CB ARG A 73 4.930 -10.607 6.759 1.00 4.12 C ATOM 1138 CG ARG A 73 4.593 -10.479 8.257 1.00 0.53 C ATOM 1139 CD ARG A 73 4.368 -11.812 8.977 1.00 51.14 C ATOM 1140 NE ARG A 73 3.442 -12.685 8.246 1.00 25.01 N ATOM 1141 CZ ARG A 73 3.202 -13.981 8.461 1.00 32.33 C ATOM 1142 NH1 ARG A 73 3.642 -14.580 9.563 1.00 32.32 N ATOM 1143 NH2 ARG A 73 2.511 -14.671 7.561 1.00 73.12 N ATOM 0 H ARG A 73 4.661 -8.156 7.030 1.00 15.11 H new ATOM 0 HA ARG A 73 6.913 -9.763 6.836 1.00 21.30 H new ATOM 0 HB2 ARG A 73 4.020 -10.467 6.176 1.00 4.12 H new ATOM 0 HB3 ARG A 73 5.285 -11.618 6.559 1.00 4.12 H new ATOM 0 HG2 ARG A 73 5.403 -9.945 8.754 1.00 0.53 H new ATOM 0 HG3 ARG A 73 3.697 -9.868 8.363 1.00 0.53 H new ATOM 0 HD2 ARG A 73 5.323 -12.322 9.102 1.00 51.14 H new ATOM 0 HD3 ARG A 73 3.975 -11.622 9.976 1.00 51.14 H new ATOM 0 HE ARG A 73 2.921 -12.251 7.484 1.00 25.01 H new ATOM 0 HH11 ARG A 73 4.169 -14.049 10.256 1.00 32.32 H new ATOM 0 HH12 ARG A 73 3.452 -15.570 9.716 1.00 32.32 H new ATOM 0 HH21 ARG A 73 2.170 -14.210 6.717 1.00 73.12 H new ATOM 0 HH22 ARG A 73 2.321 -15.661 7.714 1.00 73.12 H new ATOM 1157 N SER A 74 5.691 -9.060 3.899 1.00 24.13 N ATOM 1158 CA SER A 74 5.966 -9.132 2.469 1.00 60.32 C ATOM 1159 C SER A 74 6.979 -8.075 1.992 1.00 60.14 C ATOM 1160 O SER A 74 7.203 -7.945 0.788 1.00 33.24 O ATOM 1161 CB SER A 74 4.638 -9.143 1.704 1.00 44.11 C ATOM 1162 OG SER A 74 3.963 -7.910 1.747 1.00 70.42 O ATOM 0 H SER A 74 4.994 -8.357 4.143 1.00 24.13 H new ATOM 0 HA SER A 74 6.477 -10.069 2.248 1.00 60.32 H new ATOM 0 HB2 SER A 74 4.827 -9.410 0.664 1.00 44.11 H new ATOM 0 HB3 SER A 74 3.993 -9.917 2.120 1.00 44.11 H new ATOM 0 HG SER A 74 4.375 -7.289 1.111 1.00 70.42 H new ATOM 1168 N ILE A 75 7.642 -7.338 2.890 1.00 22.32 N ATOM 1169 CA ILE A 75 8.778 -6.473 2.577 1.00 53.13 C ATOM 1170 C ILE A 75 10.032 -7.205 3.099 1.00 1.45 C ATOM 1171 O ILE A 75 10.466 -6.942 4.225 1.00 33.13 O ATOM 1172 CB ILE A 75 8.588 -5.050 3.161 1.00 11.34 C ATOM 1173 CG1 ILE A 75 7.236 -4.409 2.765 1.00 62.30 C ATOM 1174 CG2 ILE A 75 9.719 -4.127 2.672 1.00 44.34 C ATOM 1175 CD1 ILE A 75 6.934 -3.127 3.554 1.00 64.22 C ATOM 0 H ILE A 75 7.395 -7.329 3.879 1.00 22.32 H new ATOM 0 HA ILE A 75 8.878 -6.302 1.505 1.00 53.13 H new ATOM 0 HB ILE A 75 8.607 -5.159 4.245 1.00 11.34 H new ATOM 0 HG12 ILE A 75 7.245 -4.181 1.699 1.00 62.30 H new ATOM 0 HG13 ILE A 75 6.435 -5.129 2.930 1.00 62.30 H new ATOM 0 HG21 ILE A 75 9.579 -3.129 3.086 1.00 44.34 H new ATOM 0 HG22 ILE A 75 10.680 -4.524 2.999 1.00 44.34 H new ATOM 0 HG23 ILE A 75 9.700 -4.074 1.583 1.00 44.34 H new ATOM 0 HD11 ILE A 75 5.974 -2.721 3.235 1.00 64.22 H new ATOM 0 HD12 ILE A 75 6.895 -3.356 4.619 1.00 64.22 H new ATOM 0 HD13 ILE A 75 7.718 -2.393 3.369 1.00 64.22 H new ATOM 1187 N PRO A 76 10.602 -8.157 2.339 1.00 44.31 N ATOM 1188 CA PRO A 76 11.801 -8.899 2.715 1.00 74.31 C ATOM 1189 C PRO A 76 13.040 -7.990 2.698 1.00 74.25 C ATOM 1190 O PRO A 76 12.982 -6.851 2.228 1.00 12.50 O ATOM 1191 CB PRO A 76 11.881 -10.016 1.668 1.00 45.51 C ATOM 1192 CG PRO A 76 11.370 -9.330 0.421 1.00 45.33 C ATOM 1193 CD PRO A 76 10.184 -8.576 1.015 1.00 53.14 C ATOM 0 HA PRO A 76 11.762 -9.295 3.730 1.00 74.31 H new ATOM 0 HB2 PRO A 76 12.900 -10.382 1.542 1.00 45.51 H new ATOM 0 HB3 PRO A 76 11.266 -10.873 1.941 1.00 45.51 H new ATOM 0 HG2 PRO A 76 12.110 -8.664 -0.023 1.00 45.33 H new ATOM 0 HG3 PRO A 76 11.072 -10.037 -0.353 1.00 45.33 H new ATOM 0 HD2 PRO A 76 9.919 -7.717 0.399 1.00 53.14 H new ATOM 0 HD3 PRO A 76 9.302 -9.214 1.068 1.00 53.14 H new ATOM 1201 N ALA A 77 14.183 -8.504 3.157 1.00 1.32 N ATOM 1202 CA ALA A 77 15.434 -7.759 3.251 1.00 24.30 C ATOM 1203 C ALA A 77 15.881 -7.136 1.910 1.00 30.21 C ATOM 1204 O ALA A 77 16.299 -5.980 1.920 1.00 2.12 O ATOM 1205 CB ALA A 77 16.534 -8.626 3.872 1.00 1.12 C ATOM 0 H ALA A 77 14.263 -9.468 3.479 1.00 1.32 H new ATOM 0 HA ALA A 77 15.246 -6.914 3.913 1.00 24.30 H new ATOM 0 HB1 ALA A 77 17.459 -8.052 3.933 1.00 1.12 H new ATOM 0 HB2 ALA A 77 16.232 -8.935 4.873 1.00 1.12 H new ATOM 0 HB3 ALA A 77 16.695 -9.508 3.253 1.00 1.12 H new ATOM 1211 N PRO A 78 15.782 -7.803 0.744 1.00 35.43 N ATOM 1212 CA PRO A 78 16.121 -7.187 -0.541 1.00 31.31 C ATOM 1213 C PRO A 78 15.143 -6.101 -1.030 1.00 41.43 C ATOM 1214 O PRO A 78 15.399 -5.507 -2.073 1.00 52.41 O ATOM 1215 CB PRO A 78 16.225 -8.348 -1.540 1.00 51.13 C ATOM 1216 CG PRO A 78 15.353 -9.433 -0.917 1.00 74.11 C ATOM 1217 CD PRO A 78 15.617 -9.236 0.562 1.00 24.43 C ATOM 0 HA PRO A 78 17.055 -6.635 -0.435 1.00 31.31 H new ATOM 0 HB2 PRO A 78 15.864 -8.061 -2.528 1.00 51.13 H new ATOM 0 HB3 PRO A 78 17.255 -8.682 -1.662 1.00 51.13 H new ATOM 0 HG2 PRO A 78 14.300 -9.302 -1.165 1.00 74.11 H new ATOM 0 HG3 PRO A 78 15.638 -10.430 -1.254 1.00 74.11 H new ATOM 0 HD2 PRO A 78 14.789 -9.614 1.161 1.00 24.43 H new ATOM 0 HD3 PRO A 78 16.510 -9.776 0.876 1.00 24.43 H new ATOM 1225 N TYR A 79 14.045 -5.814 -0.321 1.00 54.20 N ATOM 1226 CA TYR A 79 13.021 -4.845 -0.731 1.00 61.44 C ATOM 1227 C TYR A 79 12.819 -3.745 0.324 1.00 22.33 C ATOM 1228 O TYR A 79 11.791 -3.061 0.350 1.00 34.14 O ATOM 1229 CB TYR A 79 11.718 -5.587 -1.054 1.00 43.12 C ATOM 1230 CG TYR A 79 11.745 -6.458 -2.297 1.00 21.31 C ATOM 1231 CD1 TYR A 79 12.468 -6.043 -3.428 1.00 13.32 C ATOM 1232 CD2 TYR A 79 10.964 -7.626 -2.376 1.00 3.10 C ATOM 1233 CE1 TYR A 79 12.371 -6.732 -4.637 1.00 40.35 C ATOM 1234 CE2 TYR A 79 10.932 -8.379 -3.556 1.00 43.43 C ATOM 1235 CZ TYR A 79 11.630 -7.937 -4.694 1.00 34.45 C ATOM 1236 OH TYR A 79 11.616 -8.709 -5.809 1.00 61.40 O ATOM 0 H TYR A 79 13.839 -6.259 0.574 1.00 54.20 H new ATOM 0 HA TYR A 79 13.359 -4.334 -1.632 1.00 61.44 H new ATOM 0 HB2 TYR A 79 11.457 -6.213 -0.200 1.00 43.12 H new ATOM 0 HB3 TYR A 79 10.921 -4.852 -1.166 1.00 43.12 H new ATOM 0 HD1 TYR A 79 13.109 -5.177 -3.360 1.00 13.32 H new ATOM 0 HD2 TYR A 79 10.386 -7.944 -1.521 1.00 3.10 H new ATOM 0 HE1 TYR A 79 12.857 -6.349 -5.522 1.00 40.35 H new ATOM 0 HE2 TYR A 79 10.370 -9.301 -3.592 1.00 43.43 H new ATOM 0 HH TYR A 79 11.052 -9.496 -5.655 1.00 61.40 H new ATOM 1246 N LYS A 80 13.782 -3.576 1.231 1.00 73.22 N ATOM 1247 CA LYS A 80 13.639 -2.619 2.330 1.00 13.31 C ATOM 1248 C LYS A 80 13.722 -1.185 1.849 1.00 62.03 C ATOM 1249 O LYS A 80 12.820 -0.410 2.146 1.00 22.41 O ATOM 1250 CB LYS A 80 14.668 -2.816 3.451 1.00 0.03 C ATOM 1251 CG LYS A 80 14.551 -4.135 4.211 1.00 63.32 C ATOM 1252 CD LYS A 80 13.124 -4.467 4.656 1.00 54.13 C ATOM 1253 CE LYS A 80 13.136 -5.445 5.828 1.00 25.22 C ATOM 1254 NZ LYS A 80 13.376 -4.746 7.111 1.00 25.52 N ATOM 0 H LYS A 80 14.665 -4.086 1.227 1.00 73.22 H new ATOM 0 HA LYS A 80 12.647 -2.817 2.737 1.00 13.31 H new ATOM 0 HB2 LYS A 80 15.668 -2.749 3.022 1.00 0.03 H new ATOM 0 HB3 LYS A 80 14.570 -1.995 4.161 1.00 0.03 H new ATOM 0 HG2 LYS A 80 14.922 -4.942 3.579 1.00 63.32 H new ATOM 0 HG3 LYS A 80 15.196 -4.096 5.089 1.00 63.32 H new ATOM 0 HD2 LYS A 80 12.606 -3.552 4.945 1.00 54.13 H new ATOM 0 HD3 LYS A 80 12.569 -4.898 3.823 1.00 54.13 H new ATOM 0 HE2 LYS A 80 12.184 -5.974 5.872 1.00 25.22 H new ATOM 0 HE3 LYS A 80 13.911 -6.195 5.670 1.00 25.22 H new ATOM 0 HZ1 LYS A 80 13.378 -5.437 7.888 1.00 25.52 H new ATOM 0 HZ2 LYS A 80 14.296 -4.262 7.076 1.00 25.52 H new ATOM 0 HZ3 LYS A 80 12.623 -4.047 7.272 1.00 25.52 H new ATOM 1268 N GLN A 81 14.802 -0.803 1.175 1.00 62.40 N ATOM 1269 CA GLN A 81 15.099 0.598 0.896 1.00 64.42 C ATOM 1270 C GLN A 81 14.410 1.090 -0.382 1.00 50.03 C ATOM 1271 O GLN A 81 14.839 2.086 -0.959 1.00 72.45 O ATOM 1272 CB GLN A 81 16.622 0.809 0.844 1.00 55.04 C ATOM 1273 CG GLN A 81 17.303 0.546 2.198 1.00 41.15 C ATOM 1274 CD GLN A 81 18.741 1.067 2.239 1.00 23.40 C ATOM 1275 OE1 GLN A 81 19.156 1.929 1.469 1.00 71.41 O ATOM 1276 NE2 GLN A 81 19.560 0.590 3.164 1.00 53.44 N ATOM 0 H GLN A 81 15.495 -1.455 0.807 1.00 62.40 H new ATOM 0 HA GLN A 81 14.694 1.201 1.709 1.00 64.42 H new ATOM 0 HB2 GLN A 81 17.051 0.148 0.091 1.00 55.04 H new ATOM 0 HB3 GLN A 81 16.833 1.831 0.528 1.00 55.04 H new ATOM 0 HG2 GLN A 81 16.725 1.021 2.991 1.00 41.15 H new ATOM 0 HG3 GLN A 81 17.302 -0.525 2.400 1.00 41.15 H new ATOM 0 HE21 GLN A 81 19.234 -0.126 3.813 1.00 53.44 H new ATOM 0 HE22 GLN A 81 20.516 0.939 3.227 1.00 53.44 H new ATOM 1285 N LEU A 82 13.388 0.388 -0.883 1.00 41.54 N ATOM 1286 CA LEU A 82 12.867 0.632 -2.226 1.00 0.21 C ATOM 1287 C LEU A 82 12.363 2.062 -2.439 1.00 61.33 C ATOM 1288 O LEU A 82 12.471 2.583 -3.549 1.00 43.14 O ATOM 1289 CB LEU A 82 11.772 -0.364 -2.588 1.00 33.41 C ATOM 1290 CG LEU A 82 12.219 -1.819 -2.764 1.00 2.11 C ATOM 1291 CD1 LEU A 82 11.014 -2.601 -3.279 1.00 52.01 C ATOM 1292 CD2 LEU A 82 13.399 -2.054 -3.708 1.00 32.34 C ATOM 0 H LEU A 82 12.907 -0.354 -0.375 1.00 41.54 H new ATOM 0 HA LEU A 82 13.717 0.493 -2.893 1.00 0.21 H new ATOM 0 HB2 LEU A 82 11.007 -0.331 -1.812 1.00 33.41 H new ATOM 0 HB3 LEU A 82 11.301 -0.035 -3.514 1.00 33.41 H new ATOM 0 HG LEU A 82 12.579 -2.148 -1.789 1.00 2.11 H new ATOM 0 HD11 LEU A 82 11.291 -3.646 -3.418 1.00 52.01 H new ATOM 0 HD12 LEU A 82 10.201 -2.534 -2.556 1.00 52.01 H new ATOM 0 HD13 LEU A 82 10.688 -2.182 -4.231 1.00 52.01 H new ATOM 0 HD21 LEU A 82 13.623 -3.120 -3.752 1.00 32.34 H new ATOM 0 HD22 LEU A 82 13.144 -1.696 -4.705 1.00 32.34 H new ATOM 0 HD23 LEU A 82 14.272 -1.514 -3.341 1.00 32.34 H new ATOM 1304 N LEU A 83 11.856 2.701 -1.382 1.00 10.41 N ATOM 1305 CA LEU A 83 11.406 4.091 -1.406 1.00 31.11 C ATOM 1306 C LEU A 83 12.542 5.054 -1.765 1.00 4.11 C ATOM 1307 O LEU A 83 12.258 6.157 -2.220 1.00 12.10 O ATOM 1308 CB LEU A 83 10.793 4.488 -0.049 1.00 32.25 C ATOM 1309 CG LEU A 83 9.260 4.564 -0.014 1.00 31.12 C ATOM 1310 CD1 LEU A 83 8.791 4.646 1.443 1.00 2.52 C ATOM 1311 CD2 LEU A 83 8.732 5.818 -0.719 1.00 0.20 C ATOM 0 H LEU A 83 11.746 2.257 -0.470 1.00 10.41 H new ATOM 0 HA LEU A 83 10.644 4.167 -2.181 1.00 31.11 H new ATOM 0 HB2 LEU A 83 11.121 3.770 0.702 1.00 32.25 H new ATOM 0 HB3 LEU A 83 11.194 5.459 0.241 1.00 32.25 H new ATOM 0 HG LEU A 83 8.884 3.675 -0.520 1.00 31.12 H new ATOM 0 HD11 LEU A 83 7.703 4.700 1.472 1.00 2.52 H new ATOM 0 HD12 LEU A 83 9.125 3.760 1.983 1.00 2.52 H new ATOM 0 HD13 LEU A 83 9.211 5.536 1.911 1.00 2.52 H new ATOM 0 HD21 LEU A 83 7.643 5.831 -0.670 1.00 0.20 H new ATOM 0 HD22 LEU A 83 9.128 6.706 -0.227 1.00 0.20 H new ATOM 0 HD23 LEU A 83 9.049 5.810 -1.762 1.00 0.20 H new ATOM 1323 N LYS A 84 13.813 4.674 -1.599 1.00 43.22 N ATOM 1324 CA LYS A 84 14.953 5.451 -2.074 1.00 41.22 C ATOM 1325 C LYS A 84 15.641 4.802 -3.267 1.00 63.03 C ATOM 1326 O LYS A 84 16.046 5.525 -4.170 1.00 20.14 O ATOM 1327 CB LYS A 84 15.909 5.829 -0.946 1.00 53.55 C ATOM 1328 CG LYS A 84 16.320 4.680 -0.041 1.00 32.33 C ATOM 1329 CD LYS A 84 17.412 5.068 0.969 1.00 44.33 C ATOM 1330 CE LYS A 84 18.785 5.158 0.288 1.00 14.40 C ATOM 1331 NZ LYS A 84 19.428 6.488 0.397 1.00 54.11 N ATOM 0 H LYS A 84 14.077 3.810 -1.126 1.00 43.22 H new ATOM 0 HA LYS A 84 14.558 6.396 -2.447 1.00 41.22 H new ATOM 0 HB2 LYS A 84 16.807 6.267 -1.382 1.00 53.55 H new ATOM 0 HB3 LYS A 84 15.441 6.602 -0.337 1.00 53.55 H new ATOM 0 HG2 LYS A 84 15.445 4.320 0.500 1.00 32.33 H new ATOM 0 HG3 LYS A 84 16.678 3.853 -0.654 1.00 32.33 H new ATOM 0 HD2 LYS A 84 17.165 6.026 1.426 1.00 44.33 H new ATOM 0 HD3 LYS A 84 17.448 4.332 1.772 1.00 44.33 H new ATOM 0 HE2 LYS A 84 19.446 4.410 0.726 1.00 14.40 H new ATOM 0 HE3 LYS A 84 18.673 4.906 -0.766 1.00 14.40 H new ATOM 0 HZ1 LYS A 84 20.349 6.469 -0.086 1.00 54.11 H new ATOM 0 HZ2 LYS A 84 18.819 7.205 -0.046 1.00 54.11 H new ATOM 0 HZ3 LYS A 84 19.568 6.725 1.400 1.00 54.11 H new ATOM 1345 N GLU A 85 15.736 3.477 -3.307 1.00 30.30 N ATOM 1346 CA GLU A 85 16.379 2.716 -4.386 1.00 51.20 C ATOM 1347 C GLU A 85 15.866 3.122 -5.767 1.00 53.11 C ATOM 1348 O GLU A 85 16.666 3.224 -6.690 1.00 50.44 O ATOM 1349 CB GLU A 85 16.161 1.213 -4.235 1.00 14.31 C ATOM 1350 CG GLU A 85 16.870 0.622 -3.016 1.00 40.31 C ATOM 1351 CD GLU A 85 18.255 0.080 -3.351 1.00 33.00 C ATOM 1352 OE1 GLU A 85 19.229 0.852 -3.221 1.00 71.22 O ATOM 1353 OE2 GLU A 85 18.368 -1.133 -3.656 1.00 30.44 O ATOM 0 H GLU A 85 15.358 2.881 -2.571 1.00 30.30 H new ATOM 0 HA GLU A 85 17.441 2.949 -4.305 1.00 51.20 H new ATOM 0 HB2 GLU A 85 15.092 1.013 -4.158 1.00 14.31 H new ATOM 0 HB3 GLU A 85 16.516 0.709 -5.134 1.00 14.31 H new ATOM 0 HG2 GLU A 85 16.960 1.388 -2.246 1.00 40.31 H new ATOM 0 HG3 GLU A 85 16.261 -0.180 -2.599 1.00 40.31 H new ATOM 1360 N GLU A 86 14.548 3.289 -5.933 1.00 64.21 N ATOM 1361 CA GLU A 86 13.964 3.623 -7.243 1.00 50.22 C ATOM 1362 C GLU A 86 13.623 5.107 -7.375 1.00 11.21 C ATOM 1363 O GLU A 86 13.500 5.631 -8.483 1.00 43.54 O ATOM 1364 CB GLU A 86 12.677 2.806 -7.449 1.00 44.40 C ATOM 1365 CG GLU A 86 12.938 1.311 -7.653 1.00 11.24 C ATOM 1366 CD GLU A 86 13.831 1.019 -8.863 1.00 62.53 C ATOM 1367 OE1 GLU A 86 13.715 1.689 -9.914 1.00 13.12 O ATOM 1368 OE2 GLU A 86 14.666 0.089 -8.760 1.00 33.15 O ATOM 0 H GLU A 86 13.865 3.199 -5.180 1.00 64.21 H new ATOM 0 HA GLU A 86 14.712 3.383 -7.998 1.00 50.22 H new ATOM 0 HB2 GLU A 86 12.027 2.940 -6.584 1.00 44.40 H new ATOM 0 HB3 GLU A 86 12.141 3.196 -8.314 1.00 44.40 H new ATOM 0 HG2 GLU A 86 13.406 0.904 -6.757 1.00 11.24 H new ATOM 0 HG3 GLU A 86 11.986 0.795 -7.778 1.00 11.24 H new ATOM 1375 N LEU A 87 13.403 5.771 -6.241 1.00 20.03 N ATOM 1376 CA LEU A 87 12.712 7.058 -6.208 1.00 63.34 C ATOM 1377 C LEU A 87 13.599 8.168 -5.677 1.00 1.10 C ATOM 1378 O LEU A 87 13.602 9.270 -6.222 1.00 43.13 O ATOM 1379 CB LEU A 87 11.429 6.964 -5.375 1.00 12.02 C ATOM 1380 CG LEU A 87 10.541 5.739 -5.646 1.00 42.24 C ATOM 1381 CD1 LEU A 87 9.357 5.775 -4.690 1.00 31.32 C ATOM 1382 CD2 LEU A 87 10.059 5.714 -7.091 1.00 73.05 C ATOM 0 H LEU A 87 13.697 5.434 -5.324 1.00 20.03 H new ATOM 0 HA LEU A 87 12.452 7.306 -7.237 1.00 63.34 H new ATOM 0 HB2 LEU A 87 11.703 6.964 -4.320 1.00 12.02 H new ATOM 0 HB3 LEU A 87 10.838 7.863 -5.551 1.00 12.02 H new ATOM 0 HG LEU A 87 11.123 4.832 -5.483 1.00 42.24 H new ATOM 0 HD11 LEU A 87 8.717 4.911 -4.870 1.00 31.32 H new ATOM 0 HD12 LEU A 87 9.719 5.750 -3.662 1.00 31.32 H new ATOM 0 HD13 LEU A 87 8.786 6.689 -4.852 1.00 31.32 H new ATOM 0 HD21 LEU A 87 9.434 4.836 -7.251 1.00 73.05 H new ATOM 0 HD22 LEU A 87 9.480 6.614 -7.297 1.00 73.05 H new ATOM 0 HD23 LEU A 87 10.918 5.674 -7.761 1.00 73.05 H new ATOM 1394 N GLY A 88 14.309 7.884 -4.588 1.00 32.10 N ATOM 1395 CA GLY A 88 15.032 8.872 -3.818 1.00 61.03 C ATOM 1396 C GLY A 88 14.106 9.607 -2.852 1.00 70.14 C ATOM 1397 O GLY A 88 14.223 10.829 -2.749 1.00 4.25 O ATOM 0 H GLY A 88 14.395 6.939 -4.215 1.00 32.10 H new ATOM 0 HA2 GLY A 88 15.833 8.387 -3.260 1.00 61.03 H new ATOM 0 HA3 GLY A 88 15.502 9.589 -4.491 1.00 61.03 H new ATOM 1401 N PHE A 89 13.191 8.911 -2.158 1.00 5.34 N ATOM 1402 CA PHE A 89 12.499 9.474 -0.996 1.00 55.44 C ATOM 1403 C PHE A 89 12.935 8.758 0.286 1.00 1.32 C ATOM 1404 O PHE A 89 12.854 7.531 0.387 1.00 63.34 O ATOM 1405 CB PHE A 89 10.982 9.356 -1.122 1.00 74.54 C ATOM 1406 CG PHE A 89 10.282 10.128 -0.018 1.00 15.14 C ATOM 1407 CD1 PHE A 89 10.376 11.533 0.014 1.00 42.31 C ATOM 1408 CD2 PHE A 89 9.653 9.451 1.046 1.00 54.11 C ATOM 1409 CE1 PHE A 89 9.847 12.251 1.098 1.00 25.34 C ATOM 1410 CE2 PHE A 89 9.089 10.173 2.111 1.00 63.52 C ATOM 1411 CZ PHE A 89 9.178 11.574 2.132 1.00 61.24 C ATOM 0 H PHE A 89 12.916 7.956 -2.385 1.00 5.34 H new ATOM 0 HA PHE A 89 12.768 10.529 -0.952 1.00 55.44 H new ATOM 0 HB2 PHE A 89 10.664 9.735 -2.093 1.00 74.54 H new ATOM 0 HB3 PHE A 89 10.690 8.307 -1.078 1.00 74.54 H new ATOM 0 HD1 PHE A 89 10.856 12.059 -0.798 1.00 42.31 H new ATOM 0 HD2 PHE A 89 9.604 8.372 1.043 1.00 54.11 H new ATOM 0 HE1 PHE A 89 9.954 13.325 1.137 1.00 25.34 H new ATOM 0 HE2 PHE A 89 8.588 9.651 2.913 1.00 63.52 H new ATOM 0 HZ PHE A 89 8.732 12.131 2.943 1.00 61.24 H new ATOM 1567 N ARG A 100 -1.199 11.913 8.107 1.00 63.42 N ATOM 1568 CA ARG A 100 -1.630 11.446 6.787 1.00 31.24 C ATOM 1569 C ARG A 100 -0.442 11.060 5.897 1.00 42.02 C ATOM 1570 O ARG A 100 -0.623 10.260 4.983 1.00 45.03 O ATOM 1571 CB ARG A 100 -2.520 12.501 6.111 1.00 33.41 C ATOM 1572 CG ARG A 100 -3.967 12.482 6.627 1.00 40.24 C ATOM 1573 CD ARG A 100 -4.774 13.607 5.960 1.00 25.30 C ATOM 1574 NE ARG A 100 -6.185 13.254 5.730 1.00 62.21 N ATOM 1575 CZ ARG A 100 -7.169 13.198 6.629 1.00 11.31 C ATOM 1576 NH1 ARG A 100 -6.938 13.440 7.920 1.00 42.32 N ATOM 1577 NH2 ARG A 100 -8.388 12.895 6.214 1.00 35.31 N ATOM 0 HA ARG A 100 -2.219 10.540 6.930 1.00 31.24 H new ATOM 0 HB2 ARG A 100 -2.093 13.490 6.278 1.00 33.41 H new ATOM 0 HB3 ARG A 100 -2.521 12.332 5.034 1.00 33.41 H new ATOM 0 HG2 ARG A 100 -4.426 11.517 6.413 1.00 40.24 H new ATOM 0 HG3 ARG A 100 -3.978 12.607 7.710 1.00 40.24 H new ATOM 0 HD2 ARG A 100 -4.727 14.498 6.585 1.00 25.30 H new ATOM 0 HD3 ARG A 100 -4.310 13.861 5.007 1.00 25.30 H new ATOM 0 HE ARG A 100 -6.440 13.025 4.769 1.00 62.21 H new ATOM 0 HH11 ARG A 100 -5.996 13.673 8.235 1.00 42.32 H new ATOM 0 HH12 ARG A 100 -7.703 13.392 8.593 1.00 42.32 H new ATOM 0 HH21 ARG A 100 -8.559 12.710 5.226 1.00 35.31 H new ATOM 0 HH22 ARG A 100 -9.157 12.846 6.882 1.00 35.31 H new ATOM 1591 N LYS A 101 0.765 11.582 6.152 1.00 53.24 N ATOM 1592 CA LYS A 101 1.963 11.323 5.356 1.00 62.43 C ATOM 1593 C LYS A 101 2.703 10.108 5.897 1.00 25.30 C ATOM 1594 O LYS A 101 3.085 9.240 5.109 1.00 34.32 O ATOM 1595 CB LYS A 101 2.871 12.572 5.336 1.00 62.55 C ATOM 1596 CG LYS A 101 2.612 13.438 4.091 1.00 35.42 C ATOM 1597 CD LYS A 101 3.338 14.791 4.111 1.00 74.03 C ATOM 1598 CE LYS A 101 3.717 15.317 2.722 1.00 41.40 C ATOM 1599 NZ LYS A 101 2.603 15.323 1.752 1.00 13.34 N ATOM 0 H LYS A 101 0.935 12.211 6.937 1.00 53.24 H new ATOM 0 HA LYS A 101 1.669 11.106 4.329 1.00 62.43 H new ATOM 0 HB2 LYS A 101 2.697 13.164 6.235 1.00 62.55 H new ATOM 0 HB3 LYS A 101 3.916 12.263 5.355 1.00 62.55 H new ATOM 0 HG2 LYS A 101 2.921 12.884 3.205 1.00 35.42 H new ATOM 0 HG3 LYS A 101 1.540 13.613 3.999 1.00 35.42 H new ATOM 0 HD2 LYS A 101 2.702 15.525 4.605 1.00 74.03 H new ATOM 0 HD3 LYS A 101 4.243 14.697 4.712 1.00 74.03 H new ATOM 0 HE2 LYS A 101 4.102 16.332 2.823 1.00 41.40 H new ATOM 0 HE3 LYS A 101 4.528 14.707 2.324 1.00 41.40 H new ATOM 0 HZ1 LYS A 101 2.931 15.723 0.850 1.00 13.34 H new ATOM 0 HZ2 LYS A 101 2.271 14.349 1.599 1.00 13.34 H new ATOM 0 HZ3 LYS A 101 1.822 15.901 2.124 1.00 13.34 H new ATOM 1613 N THR A 102 2.908 10.029 7.217 1.00 42.01 N ATOM 1614 CA THR A 102 3.621 8.925 7.862 1.00 70.43 C ATOM 1615 C THR A 102 2.983 7.596 7.463 1.00 55.00 C ATOM 1616 O THR A 102 3.647 6.697 6.948 1.00 12.03 O ATOM 1617 CB THR A 102 3.606 9.100 9.393 1.00 44.42 C ATOM 1618 OG1 THR A 102 2.282 9.313 9.834 1.00 3.24 O ATOM 1619 CG2 THR A 102 4.438 10.302 9.834 1.00 43.12 C ATOM 0 H THR A 102 2.579 10.738 7.872 1.00 42.01 H new ATOM 0 HA THR A 102 4.659 8.928 7.531 1.00 70.43 H new ATOM 0 HB THR A 102 4.028 8.192 9.825 1.00 44.42 H new ATOM 0 HG1 THR A 102 2.275 9.422 10.808 1.00 3.24 H new ATOM 0 HG21 THR A 102 4.402 10.391 10.920 1.00 43.12 H new ATOM 0 HG22 THR A 102 5.471 10.166 9.515 1.00 43.12 H new ATOM 0 HG23 THR A 102 4.036 11.209 9.382 1.00 43.12 H new ATOM 1627 N ARG A 103 1.672 7.478 7.680 1.00 20.04 N ATOM 1628 CA ARG A 103 0.890 6.293 7.368 1.00 52.22 C ATOM 1629 C ARG A 103 1.050 5.908 5.901 1.00 25.13 C ATOM 1630 O ARG A 103 1.341 4.750 5.600 1.00 42.02 O ATOM 1631 CB ARG A 103 -0.575 6.582 7.711 1.00 1.34 C ATOM 1632 CG ARG A 103 -0.899 6.653 9.214 1.00 63.22 C ATOM 1633 CD ARG A 103 -0.564 5.368 9.980 1.00 45.14 C ATOM 1634 NE ARG A 103 0.688 5.492 10.750 1.00 41.54 N ATOM 1635 CZ ARG A 103 1.484 4.487 11.131 1.00 73.32 C ATOM 1636 NH1 ARG A 103 1.223 3.232 10.780 1.00 70.43 N ATOM 1637 NH2 ARG A 103 2.553 4.711 11.882 1.00 51.02 N ATOM 0 H ARG A 103 1.115 8.228 8.089 1.00 20.04 H new ATOM 0 HA ARG A 103 1.243 5.447 7.957 1.00 52.22 H new ATOM 0 HB2 ARG A 103 -0.859 7.528 7.250 1.00 1.34 H new ATOM 0 HB3 ARG A 103 -1.196 5.809 7.259 1.00 1.34 H new ATOM 0 HG2 ARG A 103 -0.348 7.483 9.656 1.00 63.22 H new ATOM 0 HG3 ARG A 103 -1.959 6.873 9.338 1.00 63.22 H new ATOM 0 HD2 ARG A 103 -1.383 5.126 10.657 1.00 45.14 H new ATOM 0 HD3 ARG A 103 -0.476 4.540 9.277 1.00 45.14 H new ATOM 0 HE ARG A 103 0.974 6.434 11.017 1.00 41.54 H new ATOM 0 HH11 ARG A 103 0.404 3.022 10.210 1.00 70.43 H new ATOM 0 HH12 ARG A 103 1.842 2.479 11.080 1.00 70.43 H new ATOM 0 HH21 ARG A 103 2.779 5.661 12.178 1.00 51.02 H new ATOM 0 HH22 ARG A 103 3.150 3.934 12.164 1.00 51.02 H new ATOM 1651 N ARG A 104 0.879 6.868 4.988 1.00 41.44 N ATOM 1652 CA ARG A 104 0.956 6.611 3.555 1.00 52.02 C ATOM 1653 C ARG A 104 2.304 6.020 3.149 1.00 44.43 C ATOM 1654 O ARG A 104 2.305 5.073 2.363 1.00 3.12 O ATOM 1655 CB ARG A 104 0.646 7.892 2.758 1.00 11.12 C ATOM 1656 CG ARG A 104 -0.498 7.706 1.753 1.00 43.31 C ATOM 1657 CD ARG A 104 -1.868 7.848 2.413 1.00 13.22 C ATOM 1658 NE ARG A 104 -2.123 9.257 2.747 1.00 71.34 N ATOM 1659 CZ ARG A 104 -2.726 10.166 1.973 1.00 0.22 C ATOM 1660 NH1 ARG A 104 -3.308 9.836 0.826 1.00 5.15 N ATOM 1661 NH2 ARG A 104 -2.784 11.429 2.354 1.00 3.24 N ATOM 0 H ARG A 104 0.684 7.841 5.225 1.00 41.44 H new ATOM 0 HA ARG A 104 0.199 5.864 3.315 1.00 52.02 H new ATOM 0 HB2 ARG A 104 0.387 8.692 3.452 1.00 11.12 H new ATOM 0 HB3 ARG A 104 1.543 8.209 2.226 1.00 11.12 H new ATOM 0 HG2 ARG A 104 -0.402 8.442 0.954 1.00 43.31 H new ATOM 0 HG3 ARG A 104 -0.418 6.722 1.291 1.00 43.31 H new ATOM 0 HD2 ARG A 104 -2.644 7.479 1.742 1.00 13.22 H new ATOM 0 HD3 ARG A 104 -1.911 7.238 3.316 1.00 13.22 H new ATOM 0 HE ARG A 104 -1.807 9.574 3.664 1.00 71.34 H new ATOM 0 HH11 ARG A 104 -3.303 8.865 0.513 1.00 5.15 H new ATOM 0 HH12 ARG A 104 -3.760 10.553 0.258 1.00 5.15 H new ATOM 0 HH21 ARG A 104 -2.368 11.714 3.241 1.00 3.24 H new ATOM 0 HH22 ARG A 104 -3.245 12.120 1.761 1.00 3.24 H new ATOM 1675 N ALA A 105 3.426 6.529 3.679 1.00 23.00 N ATOM 1676 CA ALA A 105 4.770 6.111 3.263 1.00 71.40 C ATOM 1677 C ALA A 105 4.961 4.598 3.394 1.00 51.41 C ATOM 1678 O ALA A 105 5.491 3.958 2.484 1.00 31.21 O ATOM 1679 CB ALA A 105 5.841 6.890 4.036 1.00 34.45 C ATOM 0 H ALA A 105 3.426 7.242 4.408 1.00 23.00 H new ATOM 0 HA ALA A 105 4.882 6.348 2.205 1.00 71.40 H new ATOM 0 HB1 ALA A 105 6.830 6.566 3.713 1.00 34.45 H new ATOM 0 HB2 ALA A 105 5.727 7.956 3.841 1.00 34.45 H new ATOM 0 HB3 ALA A 105 5.728 6.702 5.104 1.00 34.45 H new ATOM 1685 N THR A 106 4.478 4.019 4.492 1.00 24.44 N ATOM 1686 CA THR A 106 4.518 2.582 4.729 1.00 13.12 C ATOM 1687 C THR A 106 3.879 1.804 3.568 1.00 14.00 C ATOM 1688 O THR A 106 4.399 0.763 3.163 1.00 53.15 O ATOM 1689 CB THR A 106 3.819 2.328 6.073 1.00 2.54 C ATOM 1690 OG1 THR A 106 4.602 2.897 7.108 1.00 63.02 O ATOM 1691 CG2 THR A 106 3.610 0.853 6.398 1.00 30.03 C ATOM 0 H THR A 106 4.043 4.544 5.250 1.00 24.44 H new ATOM 0 HA THR A 106 5.546 2.222 4.778 1.00 13.12 H new ATOM 0 HB THR A 106 2.831 2.782 5.995 1.00 2.54 H new ATOM 0 HG1 THR A 106 4.165 2.743 7.971 1.00 63.02 H new ATOM 0 HG21 THR A 106 3.111 0.760 7.363 1.00 30.03 H new ATOM 0 HG22 THR A 106 2.994 0.394 5.625 1.00 30.03 H new ATOM 0 HG23 THR A 106 4.576 0.349 6.439 1.00 30.03 H new ATOM 1699 N MET A 107 2.755 2.291 3.035 1.00 61.23 N ATOM 1700 CA MET A 107 2.045 1.619 1.957 1.00 11.00 C ATOM 1701 C MET A 107 2.787 1.752 0.629 1.00 63.51 C ATOM 1702 O MET A 107 2.768 0.829 -0.181 1.00 12.13 O ATOM 1703 CB MET A 107 0.626 2.173 1.818 1.00 24.01 C ATOM 1704 CG MET A 107 -0.177 2.018 3.113 1.00 45.20 C ATOM 1705 SD MET A 107 -1.957 1.855 2.854 1.00 63.44 S ATOM 1706 CE MET A 107 -2.466 3.517 2.375 1.00 1.14 C ATOM 0 H MET A 107 2.317 3.160 3.341 1.00 61.23 H new ATOM 0 HA MET A 107 1.991 0.561 2.212 1.00 11.00 H new ATOM 0 HB2 MET A 107 0.673 3.227 1.544 1.00 24.01 H new ATOM 0 HB3 MET A 107 0.112 1.656 1.008 1.00 24.01 H new ATOM 0 HG2 MET A 107 0.184 1.141 3.650 1.00 45.20 H new ATOM 0 HG3 MET A 107 0.010 2.882 3.751 1.00 45.20 H new ATOM 0 HE1 MET A 107 -3.550 3.602 2.451 1.00 1.14 H new ATOM 0 HE2 MET A 107 -1.998 4.246 3.037 1.00 1.14 H new ATOM 0 HE3 MET A 107 -2.158 3.710 1.347 1.00 1.14 H new ATOM 1716 N THR A 108 3.445 2.885 0.385 1.00 4.53 N ATOM 1717 CA THR A 108 4.092 3.164 -0.894 1.00 3.51 C ATOM 1718 C THR A 108 5.259 2.185 -1.107 1.00 2.52 C ATOM 1719 O THR A 108 5.352 1.549 -2.158 1.00 51.30 O ATOM 1720 CB THR A 108 4.485 4.659 -0.986 1.00 70.12 C ATOM 1721 OG1 THR A 108 3.844 5.436 0.012 1.00 32.13 O ATOM 1722 CG2 THR A 108 4.036 5.293 -2.302 1.00 14.33 C ATOM 0 H THR A 108 3.544 3.635 1.070 1.00 4.53 H new ATOM 0 HA THR A 108 3.399 2.996 -1.719 1.00 3.51 H new ATOM 0 HB THR A 108 5.570 4.662 -0.880 1.00 70.12 H new ATOM 0 HG1 THR A 108 4.118 6.373 -0.077 1.00 32.13 H new ATOM 0 HG21 THR A 108 4.334 6.341 -2.321 1.00 14.33 H new ATOM 0 HG22 THR A 108 4.502 4.768 -3.136 1.00 14.33 H new ATOM 0 HG23 THR A 108 2.952 5.222 -2.389 1.00 14.33 H new ATOM 1730 N ASN A 109 6.077 1.938 -0.072 1.00 62.21 N ATOM 1731 CA ASN A 109 7.179 0.972 -0.168 1.00 2.12 C ATOM 1732 C ASN A 109 6.678 -0.430 -0.490 1.00 32.41 C ATOM 1733 O ASN A 109 7.299 -1.147 -1.268 1.00 63.35 O ATOM 1734 CB ASN A 109 7.986 0.914 1.134 1.00 41.41 C ATOM 1735 CG ASN A 109 9.402 0.386 0.901 1.00 42.40 C ATOM 1736 OD1 ASN A 109 10.350 1.154 0.999 1.00 12.01 O ATOM 1737 ND2 ASN A 109 9.602 -0.900 0.658 1.00 74.04 N ATOM 0 H ASN A 109 5.995 2.393 0.837 1.00 62.21 H new ATOM 0 HA ASN A 109 7.818 1.319 -0.980 1.00 2.12 H new ATOM 0 HB2 ASN A 109 8.037 1.910 1.575 1.00 41.41 H new ATOM 0 HB3 ASN A 109 7.473 0.274 1.852 1.00 41.41 H new ATOM 0 HD21 ASN A 109 10.551 -1.257 0.551 1.00 74.04 H new ATOM 0 HD22 ASN A 109 8.807 -1.534 0.578 1.00 74.04 H new ATOM 1744 N TRP A 110 5.569 -0.844 0.124 1.00 34.40 N ATOM 1745 CA TRP A 110 4.973 -2.150 -0.136 1.00 21.14 C ATOM 1746 C TRP A 110 4.457 -2.243 -1.578 1.00 23.12 C ATOM 1747 O TRP A 110 4.569 -3.306 -2.188 1.00 74.24 O ATOM 1748 CB TRP A 110 3.852 -2.411 0.880 1.00 71.34 C ATOM 1749 CG TRP A 110 2.999 -3.609 0.597 1.00 3.55 C ATOM 1750 CD1 TRP A 110 3.195 -4.872 1.040 1.00 15.53 C ATOM 1751 CD2 TRP A 110 1.797 -3.657 -0.220 1.00 62.03 C ATOM 1752 NE1 TRP A 110 2.208 -5.694 0.525 1.00 54.40 N ATOM 1753 CE2 TRP A 110 1.348 -5.004 -0.297 1.00 70.04 C ATOM 1754 CE3 TRP A 110 1.051 -2.685 -0.911 1.00 12.14 C ATOM 1755 CZ2 TRP A 110 0.242 -5.378 -1.068 1.00 14.34 C ATOM 1756 CZ3 TRP A 110 -0.088 -3.038 -1.653 1.00 3.04 C ATOM 1757 CH2 TRP A 110 -0.492 -4.380 -1.728 1.00 51.12 C ATOM 0 H TRP A 110 5.063 -0.285 0.811 1.00 34.40 H new ATOM 0 HA TRP A 110 5.736 -2.920 -0.020 1.00 21.14 H new ATOM 0 HB2 TRP A 110 4.299 -2.528 1.867 1.00 71.34 H new ATOM 0 HB3 TRP A 110 3.211 -1.531 0.923 1.00 71.34 H new ATOM 0 HD1 TRP A 110 3.995 -5.189 1.692 1.00 15.53 H new ATOM 0 HE1 TRP A 110 2.128 -6.690 0.730 1.00 54.40 H new ATOM 0 HE3 TRP A 110 1.359 -1.651 -0.870 1.00 12.14 H new ATOM 0 HZ2 TRP A 110 -0.042 -6.416 -1.154 1.00 14.34 H new ATOM 0 HZ3 TRP A 110 -0.654 -2.275 -2.167 1.00 3.04 H new ATOM 0 HH2 TRP A 110 -1.371 -4.646 -2.296 1.00 51.12 H new ATOM 1768 N LEU A 111 3.965 -1.141 -2.160 1.00 22.01 N ATOM 1769 CA LEU A 111 3.323 -1.174 -3.476 1.00 22.31 C ATOM 1770 C LEU A 111 4.432 -1.413 -4.491 1.00 12.04 C ATOM 1771 O LEU A 111 4.359 -2.299 -5.338 1.00 75.23 O ATOM 1772 CB LEU A 111 2.617 0.162 -3.786 1.00 12.05 C ATOM 1773 CG LEU A 111 1.175 0.329 -3.281 1.00 41.40 C ATOM 1774 CD1 LEU A 111 0.815 1.821 -3.203 1.00 31.45 C ATOM 1775 CD2 LEU A 111 0.183 -0.354 -4.225 1.00 14.05 C ATOM 0 H LEU A 111 4.001 -0.214 -1.736 1.00 22.01 H new ATOM 0 HA LEU A 111 2.565 -1.956 -3.509 1.00 22.31 H new ATOM 0 HB2 LEU A 111 3.218 0.967 -3.364 1.00 12.05 H new ATOM 0 HB3 LEU A 111 2.614 0.299 -4.867 1.00 12.05 H new ATOM 0 HG LEU A 111 1.114 -0.130 -2.294 1.00 41.40 H new ATOM 0 HD11 LEU A 111 -0.208 1.930 -2.844 1.00 31.45 H new ATOM 0 HD12 LEU A 111 1.496 2.324 -2.516 1.00 31.45 H new ATOM 0 HD13 LEU A 111 0.902 2.269 -4.193 1.00 31.45 H new ATOM 0 HD21 LEU A 111 -0.830 -0.222 -3.846 1.00 14.05 H new ATOM 0 HD22 LEU A 111 0.260 0.090 -5.217 1.00 14.05 H new ATOM 0 HD23 LEU A 111 0.412 -1.418 -4.285 1.00 14.05 H new ATOM 1787 N LEU A 112 5.506 -0.635 -4.371 1.00 44.11 N ATOM 1788 CA LEU A 112 6.622 -0.734 -5.291 1.00 35.50 C ATOM 1789 C LEU A 112 7.402 -2.028 -5.086 1.00 24.31 C ATOM 1790 O LEU A 112 7.951 -2.534 -6.053 1.00 23.32 O ATOM 1791 CB LEU A 112 7.433 0.551 -5.247 1.00 72.05 C ATOM 1792 CG LEU A 112 8.792 0.580 -4.545 1.00 63.22 C ATOM 1793 CD1 LEU A 112 9.819 0.873 -5.648 1.00 33.41 C ATOM 1794 CD2 LEU A 112 8.727 1.646 -3.455 1.00 41.52 C ATOM 0 H LEU A 112 5.621 0.070 -3.643 1.00 44.11 H new ATOM 0 HA LEU A 112 6.268 -0.818 -6.318 1.00 35.50 H new ATOM 0 HB2 LEU A 112 7.595 0.866 -6.278 1.00 72.05 H new ATOM 0 HB3 LEU A 112 6.809 1.311 -4.776 1.00 72.05 H new ATOM 0 HG LEU A 112 9.072 -0.350 -4.050 1.00 63.22 H new ATOM 0 HD11 LEU A 112 10.818 0.908 -5.215 1.00 33.41 H new ATOM 0 HD12 LEU A 112 9.778 0.087 -6.402 1.00 33.41 H new ATOM 0 HD13 LEU A 112 9.591 1.833 -6.112 1.00 33.41 H new ATOM 0 HD21 LEU A 112 9.683 1.692 -2.934 1.00 41.52 H new ATOM 0 HD22 LEU A 112 8.512 2.615 -3.906 1.00 41.52 H new ATOM 0 HD23 LEU A 112 7.939 1.393 -2.746 1.00 41.52 H new ATOM 1806 N ALA A 113 7.413 -2.607 -3.880 1.00 1.12 N ATOM 1807 CA ALA A 113 7.941 -3.953 -3.673 1.00 72.12 C ATOM 1808 C ALA A 113 7.101 -4.982 -4.419 1.00 62.42 C ATOM 1809 O ALA A 113 7.673 -5.905 -4.988 1.00 1.10 O ATOM 1810 CB ALA A 113 7.983 -4.301 -2.179 1.00 1.55 C ATOM 0 H ALA A 113 7.061 -2.160 -3.033 1.00 1.12 H new ATOM 0 HA ALA A 113 8.958 -3.975 -4.066 1.00 72.12 H new ATOM 0 HB1 ALA A 113 8.380 -5.308 -2.051 1.00 1.55 H new ATOM 0 HB2 ALA A 113 8.623 -3.590 -1.658 1.00 1.55 H new ATOM 0 HB3 ALA A 113 6.976 -4.253 -1.766 1.00 1.55 H new ATOM 1816 N TYR A 114 5.773 -4.872 -4.426 1.00 3.02 N ATOM 1817 CA TYR A 114 4.924 -5.900 -5.008 1.00 12.33 C ATOM 1818 C TYR A 114 5.283 -6.144 -6.473 1.00 15.43 C ATOM 1819 O TYR A 114 5.559 -7.288 -6.838 1.00 34.20 O ATOM 1820 CB TYR A 114 3.455 -5.528 -4.835 1.00 21.51 C ATOM 1821 CG TYR A 114 2.494 -6.570 -5.372 1.00 63.25 C ATOM 1822 CD1 TYR A 114 2.464 -7.859 -4.810 1.00 1.14 C ATOM 1823 CD2 TYR A 114 1.603 -6.238 -6.410 1.00 4.42 C ATOM 1824 CE1 TYR A 114 1.566 -8.820 -5.301 1.00 64.12 C ATOM 1825 CE2 TYR A 114 0.656 -7.171 -6.866 1.00 62.44 C ATOM 1826 CZ TYR A 114 0.682 -8.489 -6.354 1.00 23.35 C ATOM 1827 OH TYR A 114 -0.156 -9.430 -6.850 1.00 72.31 O ATOM 0 H TYR A 114 5.265 -4.079 -4.034 1.00 3.02 H new ATOM 0 HA TYR A 114 5.095 -6.838 -4.480 1.00 12.33 H new ATOM 0 HB2 TYR A 114 3.252 -5.371 -3.776 1.00 21.51 H new ATOM 0 HB3 TYR A 114 3.268 -4.580 -5.339 1.00 21.51 H new ATOM 0 HD1 TYR A 114 3.133 -8.110 -4.000 1.00 1.14 H new ATOM 0 HD2 TYR A 114 1.648 -5.257 -6.860 1.00 4.42 H new ATOM 0 HE1 TYR A 114 1.550 -9.812 -4.875 1.00 64.12 H new ATOM 0 HE2 TYR A 114 -0.083 -6.885 -7.599 1.00 62.44 H new ATOM 0 HH TYR A 114 0.148 -9.701 -7.741 1.00 72.31 H new ATOM 1837 N ARG A 115 5.368 -5.098 -7.311 1.00 64.11 N ATOM 1838 CA ARG A 115 5.637 -5.369 -8.727 1.00 4.21 C ATOM 1839 C ARG A 115 7.050 -5.946 -8.958 1.00 54.10 C ATOM 1840 O ARG A 115 7.259 -6.670 -9.936 1.00 74.01 O ATOM 1841 CB ARG A 115 5.215 -4.210 -9.660 1.00 51.34 C ATOM 1842 CG ARG A 115 6.238 -3.155 -10.086 1.00 42.34 C ATOM 1843 CD ARG A 115 6.696 -2.234 -8.949 1.00 64.44 C ATOM 1844 NE ARG A 115 7.507 -1.067 -9.369 1.00 21.31 N ATOM 1845 CZ ARG A 115 8.675 -1.075 -10.028 1.00 62.21 C ATOM 1846 NH1 ARG A 115 9.075 -2.150 -10.692 1.00 12.20 N ATOM 1847 NH2 ARG A 115 9.461 -0.012 -9.997 1.00 2.10 N ATOM 0 H ARG A 115 5.262 -4.117 -7.054 1.00 64.11 H new ATOM 0 HA ARG A 115 4.974 -6.178 -9.034 1.00 4.21 H new ATOM 0 HB2 ARG A 115 4.813 -4.657 -10.569 1.00 51.34 H new ATOM 0 HB3 ARG A 115 4.393 -3.685 -9.173 1.00 51.34 H new ATOM 0 HG2 ARG A 115 7.109 -3.658 -10.506 1.00 42.34 H new ATOM 0 HG3 ARG A 115 5.807 -2.547 -10.881 1.00 42.34 H new ATOM 0 HD2 ARG A 115 5.815 -1.872 -8.419 1.00 64.44 H new ATOM 0 HD3 ARG A 115 7.276 -2.822 -8.238 1.00 64.44 H new ATOM 0 HE ARG A 115 7.133 -0.149 -9.128 1.00 21.31 H new ATOM 0 HH11 ARG A 115 8.492 -2.987 -10.707 1.00 12.20 H new ATOM 0 HH12 ARG A 115 9.966 -2.141 -11.188 1.00 12.20 H new ATOM 0 HH21 ARG A 115 9.179 0.815 -9.471 1.00 2.10 H new ATOM 0 HH22 ARG A 115 10.349 -0.020 -10.499 1.00 2.10 H new ATOM 1861 N ARG A 116 8.011 -5.731 -8.038 1.00 72.54 N ATOM 1862 CA ARG A 116 9.326 -6.379 -8.083 1.00 4.23 C ATOM 1863 C ARG A 116 9.259 -7.907 -8.053 1.00 24.41 C ATOM 1864 O ARG A 116 10.177 -8.573 -8.542 1.00 15.05 O ATOM 1865 CB ARG A 116 10.224 -5.886 -6.943 1.00 43.23 C ATOM 1866 CG ARG A 116 10.611 -4.408 -6.946 1.00 45.24 C ATOM 1867 CD ARG A 116 11.265 -3.991 -8.264 1.00 74.34 C ATOM 1868 NE ARG A 116 12.401 -3.069 -8.096 1.00 71.35 N ATOM 1869 CZ ARG A 116 13.683 -3.436 -8.214 1.00 43.42 C ATOM 1870 NH1 ARG A 116 14.006 -4.700 -8.438 1.00 73.11 N ATOM 1871 NH2 ARG A 116 14.651 -2.542 -8.086 1.00 22.04 N ATOM 0 H ARG A 116 7.892 -5.102 -7.244 1.00 72.54 H new ATOM 0 HA ARG A 116 9.755 -6.094 -9.044 1.00 4.23 H new ATOM 0 HB2 ARG A 116 9.721 -6.101 -6.000 1.00 43.23 H new ATOM 0 HB3 ARG A 116 11.141 -6.475 -6.957 1.00 43.23 H new ATOM 0 HG2 ARG A 116 9.723 -3.800 -6.773 1.00 45.24 H new ATOM 0 HG3 ARG A 116 11.297 -4.211 -6.122 1.00 45.24 H new ATOM 0 HD2 ARG A 116 11.607 -4.884 -8.788 1.00 74.34 H new ATOM 0 HD3 ARG A 116 10.515 -3.518 -8.898 1.00 74.34 H new ATOM 0 HE ARG A 116 12.199 -2.093 -7.877 1.00 71.35 H new ATOM 0 HH11 ARG A 116 13.275 -5.406 -8.522 1.00 73.11 H new ATOM 0 HH12 ARG A 116 14.986 -4.968 -8.526 1.00 73.11 H new ATOM 0 HH21 ARG A 116 14.422 -1.566 -7.896 1.00 22.04 H new ATOM 0 HH22 ARG A 116 15.626 -2.829 -8.177 1.00 22.04 H new ATOM 1885 N SER A 117 8.198 -8.465 -7.482 1.00 72.33 N ATOM 1886 CA SER A 117 7.961 -9.906 -7.445 1.00 5.22 C ATOM 1887 C SER A 117 7.389 -10.398 -8.777 1.00 23.42 C ATOM 1888 O SER A 117 7.726 -11.502 -9.199 1.00 70.12 O ATOM 1889 CB SER A 117 7.057 -10.244 -6.245 1.00 21.23 C ATOM 1890 OG SER A 117 6.169 -11.331 -6.415 1.00 31.03 O ATOM 0 H SER A 117 7.466 -7.922 -7.024 1.00 72.33 H new ATOM 0 HA SER A 117 8.905 -10.433 -7.308 1.00 5.22 H new ATOM 0 HB2 SER A 117 7.694 -10.454 -5.386 1.00 21.23 H new ATOM 0 HB3 SER A 117 6.471 -9.359 -5.999 1.00 21.23 H new ATOM 0 HG SER A 117 5.647 -11.458 -5.595 1.00 31.03 H new ATOM 1896 N GLN A 118 6.530 -9.623 -9.445 1.00 51.14 N ATOM 1897 CA GLN A 118 5.753 -10.151 -10.571 1.00 42.03 C ATOM 1898 C GLN A 118 6.496 -10.052 -11.901 1.00 15.14 C ATOM 1899 O GLN A 118 6.392 -10.946 -12.736 1.00 12.53 O ATOM 1900 CB GLN A 118 4.398 -9.437 -10.676 1.00 22.04 C ATOM 1901 CG GLN A 118 3.533 -9.557 -9.411 1.00 63.20 C ATOM 1902 CD GLN A 118 2.090 -9.111 -9.652 1.00 74.53 C ATOM 1903 OE1 GLN A 118 1.143 -9.789 -9.256 1.00 65.10 O ATOM 1904 NE2 GLN A 118 1.881 -7.968 -10.290 1.00 2.21 N ATOM 0 H GLN A 118 6.356 -8.641 -9.230 1.00 51.14 H new ATOM 0 HA GLN A 118 5.594 -11.210 -10.367 1.00 42.03 H new ATOM 0 HB2 GLN A 118 4.570 -8.382 -10.889 1.00 22.04 H new ATOM 0 HB3 GLN A 118 3.847 -9.847 -11.522 1.00 22.04 H new ATOM 0 HG2 GLN A 118 3.539 -10.591 -9.066 1.00 63.20 H new ATOM 0 HG3 GLN A 118 3.970 -8.953 -8.616 1.00 63.20 H new ATOM 0 HE21 GLN A 118 2.673 -7.413 -10.614 1.00 2.21 H new ATOM 0 HE22 GLN A 118 0.928 -7.644 -10.456 1.00 2.21 H new