USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 732 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 82 ASN : amide:sc= -0.909 K(o=-0.19,f=-11!) USER MOD Set 1.2: A 83 SER OG : rot 1:sc= 0.717 USER MOD Set 2.1: A 72 SER OG : rot -115:sc= 1.18 USER MOD Set 2.2: A 97 THR OG1 : rot -155:sc= 1.01 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= -0.426 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.337 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.715 USER MOD Single : A 25 THR OG1 : rot -165:sc= -0.588 USER MOD Single : A 27 THR OG1 : rot -23:sc= 0.627 USER MOD Single : A 30 SER OG : rot 180:sc= -0.215 USER MOD Single : A 32 ASN : amide:sc= 1.77 K(o=1.8,f=-7.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 38 TYR OH : rot 30:sc= 0.0453 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.9 K(o=-0.9,f=-4.3!) USER MOD Single : A 60 THR OG1 : rot 115:sc= 0.0018 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 21:sc= 0.13 USER MOD Single : A 69 SER OG : rot 180:sc= -0.669 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.395 USER MOD Single : A 90 SER OG : rot 111:sc= 0.943 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 56:sc= 0.515 USER MOD Single : A 104 SER OG : rot 180:sc= -0.115 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.273 -21.065 15.047 1.00 0.00 N ATOM 2 CA GLY A 1 10.123 -20.793 14.205 1.00 0.00 C ATOM 3 C GLY A 1 10.508 -20.153 12.886 1.00 0.00 C ATOM 4 O GLY A 1 10.081 -19.040 12.580 1.00 0.00 O ATOM 0 H1 GLY A 1 10.957 -21.502 15.936 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.919 -21.713 14.553 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.769 -20.175 15.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.590 -21.724 14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.435 -20.136 14.737 1.00 0.00 H new ATOM 8 N SER A 2 11.320 -20.857 12.103 1.00 0.00 N ATOM 9 CA SER A 2 11.768 -20.348 10.812 1.00 0.00 C ATOM 10 C SER A 2 11.769 -21.455 9.762 1.00 0.00 C ATOM 11 O SER A 2 12.391 -22.501 9.948 1.00 0.00 O ATOM 12 CB SER A 2 13.169 -19.746 10.936 1.00 0.00 C ATOM 13 OG SER A 2 14.102 -20.713 11.385 1.00 0.00 O ATOM 0 H SER A 2 11.681 -21.781 12.340 1.00 0.00 H new ATOM 0 HA SER A 2 11.073 -19.571 10.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.485 -19.352 9.970 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.147 -18.907 11.631 1.00 0.00 H new ATOM 0 HG SER A 2 13.855 -21.594 11.033 1.00 0.00 H new ATOM 19 N SER A 3 11.067 -21.217 8.659 1.00 0.00 N ATOM 20 CA SER A 3 10.982 -22.195 7.580 1.00 0.00 C ATOM 21 C SER A 3 12.358 -22.456 6.975 1.00 0.00 C ATOM 22 O SER A 3 12.757 -23.603 6.784 1.00 0.00 O ATOM 23 CB SER A 3 10.020 -21.707 6.496 1.00 0.00 C ATOM 24 OG SER A 3 8.716 -21.519 7.018 1.00 0.00 O ATOM 0 H SER A 3 10.549 -20.355 8.489 1.00 0.00 H new ATOM 0 HA SER A 3 10.604 -23.129 7.997 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.386 -20.770 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.988 -22.430 5.681 1.00 0.00 H new ATOM 0 HG SER A 3 8.121 -21.205 6.306 1.00 0.00 H new ATOM 30 N GLY A 4 13.080 -21.380 6.675 1.00 0.00 N ATOM 31 CA GLY A 4 14.403 -21.512 6.095 1.00 0.00 C ATOM 32 C GLY A 4 14.619 -20.575 4.923 1.00 0.00 C ATOM 33 O GLY A 4 14.947 -21.014 3.821 1.00 0.00 O ATOM 0 H GLY A 4 12.771 -20.419 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.153 -21.311 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.551 -22.541 5.766 1.00 0.00 H new ATOM 37 N SER A 5 14.432 -19.281 5.160 1.00 0.00 N ATOM 38 CA SER A 5 14.603 -18.279 4.114 1.00 0.00 C ATOM 39 C SER A 5 15.958 -17.589 4.239 1.00 0.00 C ATOM 40 O SER A 5 16.301 -17.056 5.294 1.00 0.00 O ATOM 41 CB SER A 5 13.481 -17.241 4.184 1.00 0.00 C ATOM 42 OG SER A 5 12.226 -17.826 3.881 1.00 0.00 O ATOM 0 H SER A 5 14.162 -18.901 6.067 1.00 0.00 H new ATOM 0 HA SER A 5 14.560 -18.785 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.450 -16.801 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.687 -16.431 3.484 1.00 0.00 H new ATOM 0 HG SER A 5 11.525 -17.143 3.934 1.00 0.00 H new ATOM 48 N SER A 6 16.725 -17.604 3.153 1.00 0.00 N ATOM 49 CA SER A 6 18.044 -16.984 3.141 1.00 0.00 C ATOM 50 C SER A 6 18.040 -15.716 2.292 1.00 0.00 C ATOM 51 O SER A 6 19.064 -15.328 1.731 1.00 0.00 O ATOM 52 CB SER A 6 19.088 -17.966 2.605 1.00 0.00 C ATOM 53 OG SER A 6 18.687 -18.506 1.358 1.00 0.00 O ATOM 0 H SER A 6 16.455 -18.039 2.271 1.00 0.00 H new ATOM 0 HA SER A 6 18.301 -16.715 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.046 -17.458 2.494 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.236 -18.772 3.323 1.00 0.00 H new ATOM 0 HG SER A 6 19.372 -19.129 1.036 1.00 0.00 H new ATOM 59 N GLY A 7 16.879 -15.074 2.203 1.00 0.00 N ATOM 60 CA GLY A 7 16.762 -13.857 1.421 1.00 0.00 C ATOM 61 C GLY A 7 17.016 -12.611 2.246 1.00 0.00 C ATOM 62 O GLY A 7 17.575 -12.670 3.342 1.00 0.00 O ATOM 0 H GLY A 7 16.017 -15.375 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.470 -13.891 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.764 -13.803 0.985 1.00 0.00 H new ATOM 66 N PRO A 8 16.603 -11.451 1.716 1.00 0.00 N ATOM 67 CA PRO A 8 16.779 -10.163 2.394 1.00 0.00 C ATOM 68 C PRO A 8 15.891 -10.030 3.626 1.00 0.00 C ATOM 69 O PRO A 8 15.275 -11.000 4.068 1.00 0.00 O ATOM 70 CB PRO A 8 16.372 -9.142 1.328 1.00 0.00 C ATOM 71 CG PRO A 8 15.444 -9.883 0.429 1.00 0.00 C ATOM 72 CD PRO A 8 15.930 -11.306 0.414 1.00 0.00 C ATOM 0 HA PRO A 8 17.797 -10.032 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.883 -8.276 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.240 -8.772 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.418 -9.825 0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.450 -9.458 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.106 -12.011 0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.614 -11.488 -0.415 1.00 0.00 H new ATOM 80 N LYS A 9 15.829 -8.822 4.177 1.00 0.00 N ATOM 81 CA LYS A 9 15.014 -8.561 5.358 1.00 0.00 C ATOM 82 C LYS A 9 13.853 -7.629 5.022 1.00 0.00 C ATOM 83 O LYS A 9 13.887 -6.884 4.043 1.00 0.00 O ATOM 84 CB LYS A 9 15.870 -7.946 6.467 1.00 0.00 C ATOM 85 CG LYS A 9 16.692 -8.966 7.236 1.00 0.00 C ATOM 86 CD LYS A 9 16.890 -8.546 8.683 1.00 0.00 C ATOM 87 CE LYS A 9 15.785 -9.089 9.577 1.00 0.00 C ATOM 88 NZ LYS A 9 16.120 -10.435 10.117 1.00 0.00 N ATOM 0 H LYS A 9 16.333 -8.008 3.825 1.00 0.00 H new ATOM 0 HA LYS A 9 14.607 -9.510 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.541 -7.207 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.221 -7.415 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.195 -9.935 7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.663 -9.089 6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.856 -8.905 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.910 -7.458 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.614 -8.399 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.855 -9.146 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.342 -10.770 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.258 -11.100 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.994 -10.376 10.678 1.00 0.00 H new ATOM 102 N PRO A 10 12.801 -7.670 5.854 1.00 0.00 N ATOM 103 CA PRO A 10 11.611 -6.835 5.666 1.00 0.00 C ATOM 104 C PRO A 10 11.890 -5.360 5.935 1.00 0.00 C ATOM 105 O PRO A 10 12.714 -5.003 6.778 1.00 0.00 O ATOM 106 CB PRO A 10 10.624 -7.389 6.697 1.00 0.00 C ATOM 107 CG PRO A 10 11.480 -8.001 7.751 1.00 0.00 C ATOM 108 CD PRO A 10 12.693 -8.535 7.041 1.00 0.00 C ATOM 0 HA PRO A 10 11.244 -6.872 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.995 -6.599 7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.958 -8.127 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.761 -7.263 8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.949 -8.799 8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.584 -8.473 7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.569 -9.582 6.765 1.00 0.00 H new ATOM 116 N PRO A 11 11.190 -4.482 5.202 1.00 0.00 N ATOM 117 CA PRO A 11 11.344 -3.031 5.344 1.00 0.00 C ATOM 118 C PRO A 11 10.792 -2.516 6.669 1.00 0.00 C ATOM 119 O PRO A 11 9.920 -3.141 7.273 1.00 0.00 O ATOM 120 CB PRO A 11 10.533 -2.471 4.173 1.00 0.00 C ATOM 121 CG PRO A 11 9.524 -3.525 3.873 1.00 0.00 C ATOM 122 CD PRO A 11 10.192 -4.837 4.179 1.00 0.00 C ATOM 0 HA PRO A 11 12.392 -2.730 5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.054 -1.528 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.168 -2.274 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.629 -3.392 4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.211 -3.480 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.480 -5.573 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.660 -5.266 3.293 1.00 0.00 H new ATOM 130 N ILE A 12 11.304 -1.374 7.114 1.00 0.00 N ATOM 131 CA ILE A 12 10.860 -0.775 8.367 1.00 0.00 C ATOM 132 C ILE A 12 10.336 0.640 8.144 1.00 0.00 C ATOM 133 O ILE A 12 10.306 1.131 7.016 1.00 0.00 O ATOM 134 CB ILE A 12 11.997 -0.731 9.404 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.185 0.063 8.858 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.424 -2.142 9.781 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.254 0.341 9.892 1.00 0.00 C ATOM 0 H ILE A 12 12.027 -0.845 6.626 1.00 0.00 H new ATOM 0 HA ILE A 12 10.055 -1.403 8.749 1.00 0.00 H new ATOM 0 HB ILE A 12 11.632 -0.231 10.301 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.628 -0.487 8.028 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.825 1.010 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.229 -2.095 10.515 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.575 -2.677 10.207 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.774 -2.666 8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.065 0.907 9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.826 0.918 10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.642 -0.602 10.277 1.00 0.00 H new ATOM 149 N ASP A 13 9.925 1.289 9.228 1.00 0.00 N ATOM 150 CA ASP A 13 9.404 2.649 9.152 1.00 0.00 C ATOM 151 C ASP A 13 8.205 2.721 8.211 1.00 0.00 C ATOM 152 O ASP A 13 7.994 3.727 7.532 1.00 0.00 O ATOM 153 CB ASP A 13 10.496 3.611 8.681 1.00 0.00 C ATOM 154 CG ASP A 13 10.311 5.012 9.231 1.00 0.00 C ATOM 155 OD1 ASP A 13 10.010 5.141 10.436 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.467 5.978 8.456 1.00 0.00 O ATOM 0 H ASP A 13 9.942 0.896 10.169 1.00 0.00 H new ATOM 0 HA ASP A 13 9.078 2.942 10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.470 3.229 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.498 3.649 7.592 1.00 0.00 H new ATOM 161 N LEU A 14 7.423 1.647 8.175 1.00 0.00 N ATOM 162 CA LEU A 14 6.246 1.587 7.316 1.00 0.00 C ATOM 163 C LEU A 14 5.125 2.464 7.865 1.00 0.00 C ATOM 164 O LEU A 14 4.483 2.120 8.857 1.00 0.00 O ATOM 165 CB LEU A 14 5.760 0.143 7.184 1.00 0.00 C ATOM 166 CG LEU A 14 5.040 -0.207 5.881 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.007 -0.166 4.709 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.382 -1.575 5.985 1.00 0.00 C ATOM 0 H LEU A 14 7.583 0.807 8.731 1.00 0.00 H new ATOM 0 HA LEU A 14 6.526 1.962 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.619 -0.519 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.088 -0.071 8.015 1.00 0.00 H new ATOM 0 HG LEU A 14 4.261 0.536 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.477 -0.418 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.430 0.835 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.809 -0.886 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.875 -1.807 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.143 -2.330 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.657 -1.569 6.799 1.00 0.00 H new ATOM 180 N VAL A 15 4.895 3.599 7.213 1.00 0.00 N ATOM 181 CA VAL A 15 3.850 4.525 7.634 1.00 0.00 C ATOM 182 C VAL A 15 3.257 5.264 6.440 1.00 0.00 C ATOM 183 O VAL A 15 3.843 5.288 5.357 1.00 0.00 O ATOM 184 CB VAL A 15 4.387 5.554 8.646 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.274 6.024 9.571 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.541 4.966 9.444 1.00 0.00 C ATOM 0 H VAL A 15 5.418 3.900 6.391 1.00 0.00 H new ATOM 0 HA VAL A 15 3.072 3.929 8.111 1.00 0.00 H new ATOM 0 HB VAL A 15 4.759 6.418 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.672 6.751 10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.483 6.487 8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.869 5.171 10.115 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.908 5.707 10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.197 4.084 9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.346 4.684 8.766 1.00 0.00 H new ATOM 196 N VAL A 16 2.091 5.868 6.645 1.00 0.00 N ATOM 197 CA VAL A 16 1.418 6.610 5.585 1.00 0.00 C ATOM 198 C VAL A 16 1.544 8.114 5.802 1.00 0.00 C ATOM 199 O VAL A 16 1.312 8.616 6.903 1.00 0.00 O ATOM 200 CB VAL A 16 -0.075 6.239 5.500 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.769 7.059 4.424 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.238 4.750 5.236 1.00 0.00 C ATOM 0 H VAL A 16 1.593 5.858 7.535 1.00 0.00 H new ATOM 0 HA VAL A 16 1.906 6.338 4.649 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.544 6.469 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.822 6.783 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.682 8.119 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.301 6.864 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.298 4.505 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.245 4.493 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.222 4.184 6.046 1.00 0.00 H new ATOM 212 N THR A 17 1.914 8.830 4.745 1.00 0.00 N ATOM 213 CA THR A 17 2.072 10.277 4.819 1.00 0.00 C ATOM 214 C THR A 17 0.895 10.993 4.166 1.00 0.00 C ATOM 215 O THR A 17 0.466 12.049 4.629 1.00 0.00 O ATOM 216 CB THR A 17 3.377 10.735 4.140 1.00 0.00 C ATOM 217 OG1 THR A 17 3.726 12.050 4.587 1.00 0.00 O ATOM 218 CG2 THR A 17 3.230 10.729 2.626 1.00 0.00 C ATOM 0 H THR A 17 2.110 8.431 3.827 1.00 0.00 H new ATOM 0 HA THR A 17 2.110 10.537 5.877 1.00 0.00 H new ATOM 0 HB THR A 17 4.168 10.037 4.414 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.557 12.333 4.152 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.164 11.056 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.994 9.720 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.427 11.407 2.336 1.00 0.00 H new ATOM 226 N GLU A 18 0.377 10.410 3.090 1.00 0.00 N ATOM 227 CA GLU A 18 -0.751 10.994 2.374 1.00 0.00 C ATOM 228 C GLU A 18 -1.777 9.925 2.010 1.00 0.00 C ATOM 229 O GLU A 18 -1.429 8.767 1.775 1.00 0.00 O ATOM 230 CB GLU A 18 -0.268 11.705 1.108 1.00 0.00 C ATOM 231 CG GLU A 18 0.482 12.997 1.384 1.00 0.00 C ATOM 232 CD GLU A 18 1.350 13.428 0.218 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.804 13.617 -0.889 1.00 0.00 O ATOM 234 OE2 GLU A 18 2.574 13.577 0.412 1.00 0.00 O ATOM 0 H GLU A 18 0.720 9.534 2.695 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.227 11.722 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.380 11.031 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.127 11.922 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.234 13.787 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.106 12.869 2.269 1.00 0.00 H new ATOM 241 N THR A 19 -3.046 10.321 1.965 1.00 0.00 N ATOM 242 CA THR A 19 -4.123 9.398 1.632 1.00 0.00 C ATOM 243 C THR A 19 -5.162 10.065 0.738 1.00 0.00 C ATOM 244 O THR A 19 -5.893 10.955 1.174 1.00 0.00 O ATOM 245 CB THR A 19 -4.819 8.865 2.899 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.864 9.888 3.899 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.090 7.647 3.445 1.00 0.00 C ATOM 0 H THR A 19 -3.352 11.275 2.155 1.00 0.00 H new ATOM 0 HA THR A 19 -3.669 8.563 1.097 1.00 0.00 H new ATOM 0 HB THR A 19 -5.835 8.572 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.309 9.542 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.600 7.289 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.082 6.859 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.065 7.919 3.696 1.00 0.00 H new ATOM 255 N THR A 20 -5.224 9.629 -0.517 1.00 0.00 N ATOM 256 CA THR A 20 -6.174 10.185 -1.473 1.00 0.00 C ATOM 257 C THR A 20 -7.443 9.343 -1.540 1.00 0.00 C ATOM 258 O THR A 20 -7.443 8.173 -1.159 1.00 0.00 O ATOM 259 CB THR A 20 -5.560 10.281 -2.883 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.139 10.423 -2.790 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.144 11.460 -3.647 1.00 0.00 C ATOM 0 H THR A 20 -4.628 8.893 -0.895 1.00 0.00 H new ATOM 0 HA THR A 20 -6.424 11.187 -1.124 1.00 0.00 H new ATOM 0 HB THR A 20 -5.798 9.364 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.792 10.794 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.696 11.508 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.223 11.334 -3.741 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.932 12.384 -3.108 1.00 0.00 H new ATOM 269 N ALA A 21 -8.522 9.947 -2.026 1.00 0.00 N ATOM 270 CA ALA A 21 -9.798 9.251 -2.145 1.00 0.00 C ATOM 271 C ALA A 21 -9.639 7.941 -2.910 1.00 0.00 C ATOM 272 O ALA A 21 -10.295 6.945 -2.599 1.00 0.00 O ATOM 273 CB ALA A 21 -10.823 10.143 -2.829 1.00 0.00 C ATOM 0 H ALA A 21 -8.539 10.916 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.151 9.015 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.771 9.611 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.966 11.050 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.468 10.408 -3.825 1.00 0.00 H new ATOM 279 N THR A 22 -8.766 7.947 -3.911 1.00 0.00 N ATOM 280 CA THR A 22 -8.522 6.760 -4.721 1.00 0.00 C ATOM 281 C THR A 22 -7.031 6.462 -4.825 1.00 0.00 C ATOM 282 O THR A 22 -6.583 5.812 -5.769 1.00 0.00 O ATOM 283 CB THR A 22 -9.103 6.919 -6.139 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.459 8.006 -6.813 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.603 7.167 -6.086 1.00 0.00 C ATOM 0 H THR A 22 -8.215 8.762 -4.181 1.00 0.00 H new ATOM 0 HA THR A 22 -9.021 5.929 -4.223 1.00 0.00 H new ATOM 0 HB THR A 22 -8.923 5.994 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.833 8.099 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.990 7.276 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.094 6.325 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.801 8.078 -5.522 1.00 0.00 H new ATOM 293 N SER A 23 -6.267 6.940 -3.848 1.00 0.00 N ATOM 294 CA SER A 23 -4.825 6.726 -3.832 1.00 0.00 C ATOM 295 C SER A 23 -4.275 6.839 -2.413 1.00 0.00 C ATOM 296 O SER A 23 -4.971 7.280 -1.499 1.00 0.00 O ATOM 297 CB SER A 23 -4.128 7.738 -4.743 1.00 0.00 C ATOM 298 OG SER A 23 -4.942 8.071 -5.854 1.00 0.00 O ATOM 0 H SER A 23 -6.623 7.478 -3.058 1.00 0.00 H new ATOM 0 HA SER A 23 -4.628 5.719 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.893 8.640 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.182 7.326 -5.093 1.00 0.00 H new ATOM 0 HG SER A 23 -4.474 8.720 -6.419 1.00 0.00 H new ATOM 304 N VAL A 24 -3.020 6.436 -2.238 1.00 0.00 N ATOM 305 CA VAL A 24 -2.375 6.492 -0.932 1.00 0.00 C ATOM 306 C VAL A 24 -0.858 6.546 -1.070 1.00 0.00 C ATOM 307 O VAL A 24 -0.293 6.043 -2.042 1.00 0.00 O ATOM 308 CB VAL A 24 -2.757 5.277 -0.064 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.148 5.400 1.324 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.269 5.137 0.019 1.00 0.00 C ATOM 0 H VAL A 24 -2.430 6.067 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.726 7.402 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.357 4.378 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.429 4.533 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.062 5.448 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.516 6.307 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.521 4.274 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.694 6.037 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.677 4.999 -0.982 1.00 0.00 H new ATOM 320 N THR A 25 -0.201 7.161 -0.091 1.00 0.00 N ATOM 321 CA THR A 25 1.251 7.282 -0.103 1.00 0.00 C ATOM 322 C THR A 25 1.879 6.484 1.034 1.00 0.00 C ATOM 323 O THR A 25 1.573 6.708 2.206 1.00 0.00 O ATOM 324 CB THR A 25 1.693 8.753 0.012 1.00 0.00 C ATOM 325 OG1 THR A 25 1.095 9.528 -1.033 1.00 0.00 O ATOM 326 CG2 THR A 25 3.207 8.871 -0.065 1.00 0.00 C ATOM 0 H THR A 25 -0.652 7.583 0.720 1.00 0.00 H new ATOM 0 HA THR A 25 1.594 6.881 -1.057 1.00 0.00 H new ATOM 0 HB THR A 25 1.364 9.133 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.553 10.391 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.495 9.919 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.658 8.305 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.555 8.474 -1.019 1.00 0.00 H new ATOM 334 N LEU A 26 2.759 5.554 0.682 1.00 0.00 N ATOM 335 CA LEU A 26 3.432 4.722 1.674 1.00 0.00 C ATOM 336 C LEU A 26 4.908 5.091 1.783 1.00 0.00 C ATOM 337 O LEU A 26 5.570 5.353 0.778 1.00 0.00 O ATOM 338 CB LEU A 26 3.289 3.243 1.309 1.00 0.00 C ATOM 339 CG LEU A 26 3.503 2.247 2.450 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.422 2.407 3.508 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.523 0.822 1.917 1.00 0.00 C ATOM 0 H LEU A 26 3.024 5.357 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 26 2.961 4.898 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.292 3.085 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.001 3.015 0.516 1.00 0.00 H new ATOM 0 HG LEU A 26 4.468 2.455 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.591 1.690 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.455 3.419 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.445 2.227 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.676 0.127 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.573 0.603 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.334 0.714 1.197 1.00 0.00 H new ATOM 353 N THR A 27 5.420 5.107 3.009 1.00 0.00 N ATOM 354 CA THR A 27 6.818 5.442 3.250 1.00 0.00 C ATOM 355 C THR A 27 7.488 4.399 4.137 1.00 0.00 C ATOM 356 O THR A 27 6.875 3.875 5.067 1.00 0.00 O ATOM 357 CB THR A 27 6.958 6.827 3.910 1.00 0.00 C ATOM 358 OG1 THR A 27 6.106 6.910 5.058 1.00 0.00 O ATOM 359 CG2 THR A 27 6.604 7.933 2.928 1.00 0.00 C ATOM 0 H THR A 27 4.887 4.892 3.852 1.00 0.00 H new ATOM 0 HA THR A 27 7.311 5.459 2.278 1.00 0.00 H new ATOM 0 HB THR A 27 7.996 6.956 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.374 6.264 4.970 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.710 8.901 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.273 7.885 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.574 7.807 2.593 1.00 0.00 H new ATOM 367 N TRP A 28 8.749 4.102 3.843 1.00 0.00 N ATOM 368 CA TRP A 28 9.503 3.121 4.615 1.00 0.00 C ATOM 369 C TRP A 28 11.003 3.317 4.426 1.00 0.00 C ATOM 370 O TRP A 28 11.435 4.212 3.701 1.00 0.00 O ATOM 371 CB TRP A 28 9.105 1.703 4.203 1.00 0.00 C ATOM 372 CG TRP A 28 9.506 1.357 2.801 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.676 0.777 2.402 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.737 1.573 1.612 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.681 0.618 1.037 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.503 1.098 0.529 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.476 2.118 1.357 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.048 1.154 -0.785 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.026 2.174 0.052 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.809 1.694 -1.006 1.00 0.00 C ATOM 0 H TRP A 28 9.271 4.526 3.076 1.00 0.00 H new ATOM 0 HA TRP A 28 9.267 3.265 5.669 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.562 0.991 4.890 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.025 1.593 4.302 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.480 0.486 3.062 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.439 0.209 0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.864 2.489 2.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.651 0.785 -1.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.054 2.595 -0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.428 1.751 -2.015 1.00 0.00 H new ATOM 391 N ASP A 29 11.793 2.474 5.084 1.00 0.00 N ATOM 392 CA ASP A 29 13.245 2.554 4.987 1.00 0.00 C ATOM 393 C ASP A 29 13.819 1.286 4.362 1.00 0.00 C ATOM 394 O ASP A 29 13.234 0.209 4.472 1.00 0.00 O ATOM 395 CB ASP A 29 13.858 2.778 6.370 1.00 0.00 C ATOM 396 CG ASP A 29 15.302 3.235 6.297 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.630 4.024 5.386 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.105 2.803 7.150 1.00 0.00 O ATOM 0 H ASP A 29 11.451 1.728 5.690 1.00 0.00 H new ATOM 0 HA ASP A 29 13.495 3.399 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.271 3.523 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.801 1.853 6.943 1.00 0.00 H new ATOM 403 N SER A 30 14.967 1.423 3.706 1.00 0.00 N ATOM 404 CA SER A 30 15.617 0.290 3.059 1.00 0.00 C ATOM 405 C SER A 30 15.606 -0.935 3.969 1.00 0.00 C ATOM 406 O SER A 30 15.207 -2.024 3.559 1.00 0.00 O ATOM 407 CB SER A 30 17.056 0.647 2.683 1.00 0.00 C ATOM 408 OG SER A 30 17.854 0.833 3.839 1.00 0.00 O ATOM 0 H SER A 30 15.466 2.307 3.609 1.00 0.00 H new ATOM 0 HA SER A 30 15.060 0.053 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.482 -0.145 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.063 1.556 2.082 1.00 0.00 H new ATOM 0 HG SER A 30 18.769 1.059 3.572 1.00 0.00 H new ATOM 414 N GLY A 31 16.048 -0.747 5.209 1.00 0.00 N ATOM 415 CA GLY A 31 16.082 -1.843 6.159 1.00 0.00 C ATOM 416 C GLY A 31 17.305 -2.722 5.987 1.00 0.00 C ATOM 417 O GLY A 31 17.953 -3.093 6.964 1.00 0.00 O ATOM 0 H GLY A 31 16.383 0.145 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.066 -1.442 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.184 -2.449 6.042 1.00 0.00 H new ATOM 421 N ASN A 32 17.621 -3.057 4.740 1.00 0.00 N ATOM 422 CA ASN A 32 18.774 -3.900 4.444 1.00 0.00 C ATOM 423 C ASN A 32 20.011 -3.052 4.167 1.00 0.00 C ATOM 424 O ASN A 32 19.907 -1.916 3.703 1.00 0.00 O ATOM 425 CB ASN A 32 18.479 -4.799 3.241 1.00 0.00 C ATOM 426 CG ASN A 32 17.496 -5.906 3.574 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.882 -7.063 3.742 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.219 -5.554 3.669 1.00 0.00 N ATOM 0 H ASN A 32 17.095 -2.758 3.919 1.00 0.00 H new ATOM 0 HA ASN A 32 18.970 -4.523 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.079 -4.194 2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.410 -5.239 2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.512 -6.255 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.945 -4.582 3.522 1.00 0.00 H new ATOM 435 N SER A 33 21.182 -3.611 4.455 1.00 0.00 N ATOM 436 CA SER A 33 22.440 -2.905 4.241 1.00 0.00 C ATOM 437 C SER A 33 22.837 -2.938 2.768 1.00 0.00 C ATOM 438 O SER A 33 23.352 -1.958 2.231 1.00 0.00 O ATOM 439 CB SER A 33 23.548 -3.524 5.094 1.00 0.00 C ATOM 440 OG SER A 33 24.745 -2.772 4.999 1.00 0.00 O ATOM 0 H SER A 33 21.286 -4.551 4.837 1.00 0.00 H new ATOM 0 HA SER A 33 22.301 -1.866 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 33 23.227 -3.572 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 33 23.732 -4.548 4.770 1.00 0.00 H new ATOM 0 HG SER A 33 25.437 -3.187 5.554 1.00 0.00 H new ATOM 446 N GLU A 34 22.593 -4.074 2.121 1.00 0.00 N ATOM 447 CA GLU A 34 22.927 -4.236 0.711 1.00 0.00 C ATOM 448 C GLU A 34 21.760 -3.810 -0.176 1.00 0.00 C ATOM 449 O GLU A 34 20.592 -4.047 0.135 1.00 0.00 O ATOM 450 CB GLU A 34 23.302 -5.690 0.416 1.00 0.00 C ATOM 451 CG GLU A 34 24.532 -6.166 1.170 1.00 0.00 C ATOM 452 CD GLU A 34 24.196 -6.732 2.536 1.00 0.00 C ATOM 453 OE1 GLU A 34 23.100 -6.427 3.051 1.00 0.00 O ATOM 454 OE2 GLU A 34 25.029 -7.479 3.090 1.00 0.00 O ATOM 0 H GLU A 34 22.166 -4.895 2.551 1.00 0.00 H new ATOM 0 HA GLU A 34 23.782 -3.597 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.459 -6.333 0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.476 -5.802 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 34 25.043 -6.928 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 34 25.227 -5.334 1.286 1.00 0.00 H new ATOM 461 N PRO A 35 22.082 -3.166 -1.307 1.00 0.00 N ATOM 462 CA PRO A 35 21.075 -2.693 -2.263 1.00 0.00 C ATOM 463 C PRO A 35 20.388 -3.840 -2.996 1.00 0.00 C ATOM 464 O PRO A 35 20.931 -4.391 -3.954 1.00 0.00 O ATOM 465 CB PRO A 35 21.888 -1.843 -3.243 1.00 0.00 C ATOM 466 CG PRO A 35 23.271 -2.390 -3.162 1.00 0.00 C ATOM 467 CD PRO A 35 23.453 -2.849 -1.741 1.00 0.00 C ATOM 0 HA PRO A 35 20.270 -2.148 -1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 35 21.491 -1.918 -4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 35 21.863 -0.789 -2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 35 23.405 -3.217 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 35 24.007 -1.630 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.105 -3.720 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 35 23.901 -2.072 -1.122 1.00 0.00 H new ATOM 475 N VAL A 36 19.191 -4.195 -2.540 1.00 0.00 N ATOM 476 CA VAL A 36 18.429 -5.276 -3.154 1.00 0.00 C ATOM 477 C VAL A 36 18.032 -4.926 -4.583 1.00 0.00 C ATOM 478 O VAL A 36 18.220 -3.795 -5.033 1.00 0.00 O ATOM 479 CB VAL A 36 17.159 -5.597 -2.344 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.522 -6.216 -1.003 1.00 0.00 C ATOM 481 CG2 VAL A 36 16.319 -4.343 -2.151 1.00 0.00 C ATOM 0 H VAL A 36 18.728 -3.750 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 36 19.076 -6.153 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 36 16.567 -6.322 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.612 -6.436 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.079 -7.139 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 36 18.136 -5.518 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.426 -4.588 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.901 -3.594 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.028 -3.947 -3.124 1.00 0.00 H new ATOM 491 N THR A 37 17.481 -5.904 -5.295 1.00 0.00 N ATOM 492 CA THR A 37 17.057 -5.700 -6.675 1.00 0.00 C ATOM 493 C THR A 37 15.864 -4.754 -6.750 1.00 0.00 C ATOM 494 O THR A 37 15.903 -3.745 -7.455 1.00 0.00 O ATOM 495 CB THR A 37 16.685 -7.033 -7.351 1.00 0.00 C ATOM 496 OG1 THR A 37 17.810 -7.918 -7.342 1.00 0.00 O ATOM 497 CG2 THR A 37 16.225 -6.803 -8.783 1.00 0.00 C ATOM 0 H THR A 37 17.318 -6.846 -4.939 1.00 0.00 H new ATOM 0 HA THR A 37 17.901 -5.257 -7.203 1.00 0.00 H new ATOM 0 HB THR A 37 15.866 -7.483 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.564 -8.764 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.968 -7.758 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.350 -6.153 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.027 -6.333 -9.352 1.00 0.00 H new ATOM 505 N TYR A 38 14.806 -5.085 -6.018 1.00 0.00 N ATOM 506 CA TYR A 38 13.600 -4.265 -6.004 1.00 0.00 C ATOM 507 C TYR A 38 12.698 -4.644 -4.833 1.00 0.00 C ATOM 508 O TYR A 38 12.887 -5.684 -4.200 1.00 0.00 O ATOM 509 CB TYR A 38 12.838 -4.419 -7.321 1.00 0.00 C ATOM 510 CG TYR A 38 12.152 -5.758 -7.471 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.832 -6.856 -7.983 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.824 -5.926 -7.098 1.00 0.00 C ATOM 513 CE1 TYR A 38 12.209 -8.081 -8.123 1.00 0.00 C ATOM 514 CE2 TYR A 38 10.193 -7.148 -7.233 1.00 0.00 C ATOM 515 CZ TYR A 38 10.890 -8.222 -7.746 1.00 0.00 C ATOM 516 OH TYR A 38 10.266 -9.441 -7.882 1.00 0.00 O ATOM 0 H TYR A 38 14.759 -5.915 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 38 13.900 -3.224 -5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.092 -3.628 -7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.531 -4.281 -8.151 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.866 -6.750 -8.277 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.276 -5.087 -6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.752 -8.923 -8.525 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.160 -7.261 -6.939 1.00 0.00 H new ATOM 0 HH TYR A 38 10.926 -10.159 -7.786 1.00 0.00 H new ATOM 526 N TYR A 39 11.717 -3.795 -4.552 1.00 0.00 N ATOM 527 CA TYR A 39 10.785 -4.038 -3.457 1.00 0.00 C ATOM 528 C TYR A 39 9.366 -4.228 -3.982 1.00 0.00 C ATOM 529 O TYR A 39 8.901 -3.475 -4.836 1.00 0.00 O ATOM 530 CB TYR A 39 10.822 -2.877 -2.461 1.00 0.00 C ATOM 531 CG TYR A 39 12.153 -2.721 -1.761 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.267 -2.248 -2.443 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.297 -3.049 -0.419 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.486 -2.104 -1.808 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.511 -2.907 0.225 1.00 0.00 C ATOM 536 CZ TYR A 39 14.603 -2.435 -0.474 1.00 0.00 C ATOM 537 OH TYR A 39 15.814 -2.293 0.162 1.00 0.00 O ATOM 0 H TYR A 39 11.546 -2.932 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 39 11.090 -4.953 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.587 -1.951 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.043 -3.026 -1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.179 -1.988 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.445 -3.422 0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.342 -1.734 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.605 -3.164 1.270 1.00 0.00 H new ATOM 0 HH TYR A 39 15.726 -2.568 1.098 1.00 0.00 H new ATOM 547 N GLY A 40 8.680 -5.242 -3.462 1.00 0.00 N ATOM 548 CA GLY A 40 7.320 -5.514 -3.888 1.00 0.00 C ATOM 549 C GLY A 40 6.289 -4.872 -2.981 1.00 0.00 C ATOM 550 O GLY A 40 6.600 -4.481 -1.856 1.00 0.00 O ATOM 0 H GLY A 40 9.042 -5.880 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.182 -5.149 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.158 -6.592 -3.911 1.00 0.00 H new ATOM 554 N ILE A 41 5.059 -4.763 -3.472 1.00 0.00 N ATOM 555 CA ILE A 41 3.979 -4.163 -2.698 1.00 0.00 C ATOM 556 C ILE A 41 2.691 -4.969 -2.835 1.00 0.00 C ATOM 557 O ILE A 41 2.217 -5.214 -3.944 1.00 0.00 O ATOM 558 CB ILE A 41 3.712 -2.711 -3.135 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.977 -1.866 -2.973 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.565 -2.118 -2.329 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.826 -0.449 -3.482 1.00 0.00 C ATOM 0 H ILE A 41 4.786 -5.082 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 41 4.298 -4.167 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 41 3.429 -2.710 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.253 -1.837 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.797 -2.349 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.388 -1.091 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.663 -2.709 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.821 -2.129 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.761 0.092 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.581 -0.468 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.028 0.051 -2.934 1.00 0.00 H new ATOM 573 N GLN A 42 2.130 -5.375 -1.700 1.00 0.00 N ATOM 574 CA GLN A 42 0.896 -6.152 -1.695 1.00 0.00 C ATOM 575 C GLN A 42 -0.159 -5.491 -0.813 1.00 0.00 C ATOM 576 O GLN A 42 0.099 -5.173 0.348 1.00 0.00 O ATOM 577 CB GLN A 42 1.167 -7.576 -1.206 1.00 0.00 C ATOM 578 CG GLN A 42 1.953 -8.419 -2.196 1.00 0.00 C ATOM 579 CD GLN A 42 2.160 -9.842 -1.716 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.209 -10.617 -1.607 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.407 -10.194 -1.426 1.00 0.00 N ATOM 0 H GLN A 42 2.510 -5.179 -0.774 1.00 0.00 H new ATOM 0 HA GLN A 42 0.517 -6.192 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.715 -7.530 -0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.216 -8.067 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.428 -8.435 -3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.923 -7.955 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.165 -9.519 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.607 -11.139 -1.098 1.00 0.00 H new ATOM 590 N TYR A 43 -1.346 -5.287 -1.373 1.00 0.00 N ATOM 591 CA TYR A 43 -2.440 -4.661 -0.638 1.00 0.00 C ATOM 592 C TYR A 43 -3.780 -5.279 -1.025 1.00 0.00 C ATOM 593 O TYR A 43 -3.926 -5.842 -2.111 1.00 0.00 O ATOM 594 CB TYR A 43 -2.464 -3.155 -0.904 1.00 0.00 C ATOM 595 CG TYR A 43 -2.496 -2.799 -2.373 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.411 -3.071 -3.197 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.611 -2.192 -2.937 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.436 -2.747 -4.540 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.645 -1.866 -4.278 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.555 -2.145 -5.076 1.00 0.00 C ATOM 601 OH TYR A 43 -2.585 -1.821 -6.413 1.00 0.00 O ATOM 0 H TYR A 43 -1.576 -5.546 -2.333 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.275 -4.833 0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.337 -2.722 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.585 -2.700 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.533 -3.544 -2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.466 -1.971 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.584 -2.964 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.520 -1.395 -4.700 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.445 -1.405 -6.630 1.00 0.00 H new ATOM 611 N ARG A 44 -4.755 -5.169 -0.130 1.00 0.00 N ATOM 612 CA ARG A 44 -6.084 -5.717 -0.376 1.00 0.00 C ATOM 613 C ARG A 44 -7.114 -5.084 0.555 1.00 0.00 C ATOM 614 O ARG A 44 -6.822 -4.796 1.715 1.00 0.00 O ATOM 615 CB ARG A 44 -6.076 -7.235 -0.188 1.00 0.00 C ATOM 616 CG ARG A 44 -7.461 -7.859 -0.212 1.00 0.00 C ATOM 617 CD ARG A 44 -7.866 -8.262 -1.622 1.00 0.00 C ATOM 618 NE ARG A 44 -9.317 -8.347 -1.771 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.933 -8.385 -2.947 1.00 0.00 C ATOM 620 NH1 ARG A 44 -9.229 -8.347 -4.070 1.00 0.00 N ATOM 621 NH2 ARG A 44 -11.257 -8.462 -3.001 1.00 0.00 N ATOM 0 H ARG A 44 -4.650 -4.705 0.773 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.360 -5.487 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.470 -7.687 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.596 -7.472 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.478 -8.735 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.187 -7.151 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.470 -7.538 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.419 -9.226 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.888 -8.379 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.211 -8.288 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.705 -8.376 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.802 -8.492 -2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.730 -8.491 -3.904 1.00 0.00 H new ATOM 635 N ALA A 45 -8.319 -4.871 0.038 1.00 0.00 N ATOM 636 CA ALA A 45 -9.393 -4.274 0.823 1.00 0.00 C ATOM 637 C ALA A 45 -9.574 -5.004 2.149 1.00 0.00 C ATOM 638 O ALA A 45 -10.010 -6.154 2.181 1.00 0.00 O ATOM 639 CB ALA A 45 -10.692 -4.282 0.032 1.00 0.00 C ATOM 0 H ALA A 45 -8.577 -5.103 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.120 -3.241 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.485 -3.833 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.562 -3.710 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.961 -5.309 -0.216 1.00 0.00 H new ATOM 645 N ALA A 46 -9.237 -4.327 3.242 1.00 0.00 N ATOM 646 CA ALA A 46 -9.364 -4.912 4.572 1.00 0.00 C ATOM 647 C ALA A 46 -10.734 -5.554 4.760 1.00 0.00 C ATOM 648 O ALA A 46 -11.751 -4.865 4.814 1.00 0.00 O ATOM 649 CB ALA A 46 -9.124 -3.854 5.638 1.00 0.00 C ATOM 0 H ALA A 46 -8.874 -3.374 3.233 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.609 -5.692 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.222 -4.304 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.121 -3.444 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.857 -3.055 5.529 1.00 0.00 H new ATOM 655 N GLY A 47 -10.752 -6.880 4.860 1.00 0.00 N ATOM 656 CA GLY A 47 -12.003 -7.593 5.040 1.00 0.00 C ATOM 657 C GLY A 47 -12.041 -8.900 4.274 1.00 0.00 C ATOM 658 O GLY A 47 -11.488 -9.907 4.719 1.00 0.00 O ATOM 0 H GLY A 47 -9.923 -7.473 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.154 -7.793 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.828 -6.960 4.714 1.00 0.00 H new ATOM 662 N THR A 48 -12.697 -8.888 3.117 1.00 0.00 N ATOM 663 CA THR A 48 -12.807 -10.082 2.289 1.00 0.00 C ATOM 664 C THR A 48 -11.448 -10.745 2.095 1.00 0.00 C ATOM 665 O THR A 48 -10.444 -10.068 1.876 1.00 0.00 O ATOM 666 CB THR A 48 -13.408 -9.754 0.909 1.00 0.00 C ATOM 667 OG1 THR A 48 -14.602 -8.980 1.065 1.00 0.00 O ATOM 668 CG2 THR A 48 -13.721 -11.028 0.138 1.00 0.00 C ATOM 0 H THR A 48 -13.160 -8.064 2.733 1.00 0.00 H new ATOM 0 HA THR A 48 -13.471 -10.770 2.813 1.00 0.00 H new ATOM 0 HB THR A 48 -12.674 -9.178 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.976 -8.775 0.183 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.144 -10.771 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.805 -11.601 -0.006 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.438 -11.626 0.700 1.00 0.00 H new ATOM 676 N GLU A 49 -11.425 -12.071 2.175 1.00 0.00 N ATOM 677 CA GLU A 49 -10.187 -12.825 2.008 1.00 0.00 C ATOM 678 C GLU A 49 -9.914 -13.102 0.533 1.00 0.00 C ATOM 679 O GLU A 49 -9.910 -14.252 0.096 1.00 0.00 O ATOM 680 CB GLU A 49 -10.258 -14.143 2.782 1.00 0.00 C ATOM 681 CG GLU A 49 -8.945 -14.906 2.804 1.00 0.00 C ATOM 682 CD GLU A 49 -9.131 -16.378 3.120 1.00 0.00 C ATOM 683 OE1 GLU A 49 -9.821 -16.688 4.113 1.00 0.00 O ATOM 684 OE2 GLU A 49 -8.587 -17.219 2.374 1.00 0.00 O ATOM 0 H GLU A 49 -12.248 -12.646 2.354 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.369 -12.224 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.566 -13.937 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.028 -14.774 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.454 -14.805 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.282 -14.460 3.545 1.00 0.00 H new ATOM 691 N GLY A 50 -9.687 -12.038 -0.232 1.00 0.00 N ATOM 692 CA GLY A 50 -9.417 -12.187 -1.650 1.00 0.00 C ATOM 693 C GLY A 50 -7.936 -12.141 -1.966 1.00 0.00 C ATOM 694 O GLY A 50 -7.095 -11.986 -1.080 1.00 0.00 O ATOM 0 H GLY A 50 -9.685 -11.075 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.830 -13.134 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.927 -11.396 -2.199 1.00 0.00 H new ATOM 698 N PRO A 51 -7.597 -12.278 -3.257 1.00 0.00 N ATOM 699 CA PRO A 51 -6.206 -12.256 -3.717 1.00 0.00 C ATOM 700 C PRO A 51 -5.579 -10.871 -3.599 1.00 0.00 C ATOM 701 O PRO A 51 -6.048 -9.912 -4.212 1.00 0.00 O ATOM 702 CB PRO A 51 -6.311 -12.672 -5.186 1.00 0.00 C ATOM 703 CG PRO A 51 -7.693 -12.288 -5.590 1.00 0.00 C ATOM 704 CD PRO A 51 -8.547 -12.467 -4.366 1.00 0.00 C ATOM 0 HA PRO A 51 -5.569 -12.909 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.564 -12.163 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.146 -13.743 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.725 -11.256 -5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.048 -12.914 -6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.356 -11.738 -4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.007 -13.455 -4.338 1.00 0.00 H new ATOM 712 N PHE A 52 -4.515 -10.773 -2.808 1.00 0.00 N ATOM 713 CA PHE A 52 -3.824 -9.505 -2.610 1.00 0.00 C ATOM 714 C PHE A 52 -3.067 -9.095 -3.870 1.00 0.00 C ATOM 715 O PHE A 52 -2.370 -9.906 -4.478 1.00 0.00 O ATOM 716 CB PHE A 52 -2.855 -9.607 -1.430 1.00 0.00 C ATOM 717 CG PHE A 52 -3.537 -9.609 -0.092 1.00 0.00 C ATOM 718 CD1 PHE A 52 -4.411 -10.627 0.253 1.00 0.00 C ATOM 719 CD2 PHE A 52 -3.305 -8.592 0.821 1.00 0.00 C ATOM 720 CE1 PHE A 52 -5.041 -10.631 1.483 1.00 0.00 C ATOM 721 CE2 PHE A 52 -3.932 -8.591 2.052 1.00 0.00 C ATOM 722 CZ PHE A 52 -4.801 -9.612 2.384 1.00 0.00 C ATOM 0 H PHE A 52 -4.113 -11.557 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.572 -8.743 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.268 -10.520 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.156 -8.772 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.602 -11.427 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.626 -7.791 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.720 -11.430 1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.743 -7.793 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.292 -9.614 3.346 1.00 0.00 H new ATOM 732 N GLN A 53 -3.211 -7.831 -4.255 1.00 0.00 N ATOM 733 CA GLN A 53 -2.543 -7.314 -5.443 1.00 0.00 C ATOM 734 C GLN A 53 -1.038 -7.550 -5.367 1.00 0.00 C ATOM 735 O GLN A 53 -0.508 -7.897 -4.312 1.00 0.00 O ATOM 736 CB GLN A 53 -2.829 -5.820 -5.606 1.00 0.00 C ATOM 737 CG GLN A 53 -4.305 -5.499 -5.779 1.00 0.00 C ATOM 738 CD GLN A 53 -4.848 -5.955 -7.119 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.701 -7.117 -7.498 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.481 -5.040 -7.844 1.00 0.00 N ATOM 0 H GLN A 53 -3.784 -7.147 -3.762 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.933 -7.848 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.450 -5.289 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.280 -5.446 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.873 -5.976 -4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.453 -4.424 -5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.580 -4.088 -7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.868 -5.289 -8.754 1.00 0.00 H new ATOM 749 N GLU A 54 -0.356 -7.359 -6.492 1.00 0.00 N ATOM 750 CA GLU A 54 1.088 -7.553 -6.552 1.00 0.00 C ATOM 751 C GLU A 54 1.740 -6.508 -7.453 1.00 0.00 C ATOM 752 O GLU A 54 1.364 -6.352 -8.614 1.00 0.00 O ATOM 753 CB GLU A 54 1.415 -8.958 -7.062 1.00 0.00 C ATOM 754 CG GLU A 54 2.782 -9.460 -6.628 1.00 0.00 C ATOM 755 CD GLU A 54 3.384 -10.441 -7.615 1.00 0.00 C ATOM 756 OE1 GLU A 54 3.027 -11.636 -7.557 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.212 -10.013 -8.446 1.00 0.00 O ATOM 0 H GLU A 54 -0.780 -7.070 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 54 1.487 -7.438 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.653 -9.651 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.365 -8.961 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.455 -8.611 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.696 -9.939 -5.652 1.00 0.00 H new ATOM 764 N VAL A 55 2.720 -5.795 -6.908 1.00 0.00 N ATOM 765 CA VAL A 55 3.426 -4.765 -7.661 1.00 0.00 C ATOM 766 C VAL A 55 4.936 -4.952 -7.565 1.00 0.00 C ATOM 767 O VAL A 55 5.503 -4.960 -6.473 1.00 0.00 O ATOM 768 CB VAL A 55 3.062 -3.354 -7.160 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.796 -2.295 -7.967 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.558 -3.139 -7.224 1.00 0.00 C ATOM 0 H VAL A 55 3.043 -5.912 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 55 3.115 -4.865 -8.701 1.00 0.00 H new ATOM 0 HB VAL A 55 3.375 -3.264 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.526 -1.305 -7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.871 -2.440 -7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.517 -2.380 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.318 -2.138 -6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.218 -3.248 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.058 -3.877 -6.597 1.00 0.00 H new ATOM 780 N ASP A 56 5.582 -5.102 -8.717 1.00 0.00 N ATOM 781 CA ASP A 56 7.027 -5.288 -8.764 1.00 0.00 C ATOM 782 C ASP A 56 7.687 -4.201 -9.607 1.00 0.00 C ATOM 783 O ASP A 56 7.147 -3.781 -10.629 1.00 0.00 O ATOM 784 CB ASP A 56 7.367 -6.667 -9.330 1.00 0.00 C ATOM 785 CG ASP A 56 7.125 -6.756 -10.824 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.962 -6.968 -11.226 1.00 0.00 O ATOM 787 OD2 ASP A 56 8.099 -6.612 -11.592 1.00 0.00 O ATOM 0 H ASP A 56 5.127 -5.098 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 56 7.411 -5.217 -7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.412 -6.895 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.768 -7.423 -8.822 1.00 0.00 H new ATOM 792 N GLY A 57 8.859 -3.750 -9.170 1.00 0.00 N ATOM 793 CA GLY A 57 9.573 -2.716 -9.895 1.00 0.00 C ATOM 794 C GLY A 57 9.714 -1.437 -9.093 1.00 0.00 C ATOM 795 O GLY A 57 9.725 -0.341 -9.655 1.00 0.00 O ATOM 0 H GLY A 57 9.326 -4.083 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.563 -3.083 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.049 -2.501 -10.826 1.00 0.00 H new ATOM 799 N VAL A 58 9.819 -1.575 -7.775 1.00 0.00 N ATOM 800 CA VAL A 58 9.959 -0.422 -6.894 1.00 0.00 C ATOM 801 C VAL A 58 11.375 -0.322 -6.340 1.00 0.00 C ATOM 802 O VAL A 58 11.679 -0.876 -5.283 1.00 0.00 O ATOM 803 CB VAL A 58 8.963 -0.488 -5.721 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.906 0.846 -4.993 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.583 -0.894 -6.216 1.00 0.00 C ATOM 0 H VAL A 58 9.810 -2.474 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 58 9.744 0.462 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 58 9.308 -1.245 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.197 0.780 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.894 1.091 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.586 1.625 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.892 -0.936 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.227 -0.163 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.640 -1.875 -6.688 1.00 0.00 H new ATOM 815 N ALA A 59 12.238 0.387 -7.059 1.00 0.00 N ATOM 816 CA ALA A 59 13.622 0.562 -6.638 1.00 0.00 C ATOM 817 C ALA A 59 13.772 1.783 -5.737 1.00 0.00 C ATOM 818 O ALA A 59 14.798 2.465 -5.762 1.00 0.00 O ATOM 819 CB ALA A 59 14.532 0.684 -7.851 1.00 0.00 C ATOM 0 H ALA A 59 12.003 0.850 -7.937 1.00 0.00 H new ATOM 0 HA ALA A 59 13.915 -0.318 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.563 0.814 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.456 -0.220 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.230 1.545 -8.447 1.00 0.00 H new ATOM 825 N THR A 60 12.743 2.056 -4.941 1.00 0.00 N ATOM 826 CA THR A 60 12.759 3.196 -4.034 1.00 0.00 C ATOM 827 C THR A 60 12.092 2.853 -2.707 1.00 0.00 C ATOM 828 O THR A 60 11.378 1.855 -2.598 1.00 0.00 O ATOM 829 CB THR A 60 12.050 4.416 -4.652 1.00 0.00 C ATOM 830 OG1 THR A 60 10.899 3.991 -5.390 1.00 0.00 O ATOM 831 CG2 THR A 60 12.992 5.183 -5.568 1.00 0.00 C ATOM 0 H THR A 60 11.887 1.502 -4.906 1.00 0.00 H new ATOM 0 HA THR A 60 13.806 3.444 -3.858 1.00 0.00 H new ATOM 0 HB THR A 60 11.739 5.077 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.089 4.336 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.469 6.040 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.853 5.530 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.330 4.529 -6.372 1.00 0.00 H new ATOM 839 N THR A 61 12.327 3.686 -1.698 1.00 0.00 N ATOM 840 CA THR A 61 11.748 3.470 -0.378 1.00 0.00 C ATOM 841 C THR A 61 10.446 4.245 -0.215 1.00 0.00 C ATOM 842 O THR A 61 9.980 4.466 0.903 1.00 0.00 O ATOM 843 CB THR A 61 12.724 3.889 0.738 1.00 0.00 C ATOM 844 OG1 THR A 61 13.129 5.249 0.551 1.00 0.00 O ATOM 845 CG2 THR A 61 13.950 2.987 0.751 1.00 0.00 C ATOM 0 H THR A 61 12.915 4.517 -1.770 1.00 0.00 H new ATOM 0 HA THR A 61 11.545 2.402 -0.293 1.00 0.00 H new ATOM 0 HB THR A 61 12.210 3.792 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.748 5.507 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.625 3.302 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.641 1.956 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.463 3.056 -0.208 1.00 0.00 H new ATOM 853 N ARG A 62 9.862 4.655 -1.336 1.00 0.00 N ATOM 854 CA ARG A 62 8.613 5.406 -1.317 1.00 0.00 C ATOM 855 C ARG A 62 7.792 5.129 -2.573 1.00 0.00 C ATOM 856 O ARG A 62 8.290 5.251 -3.692 1.00 0.00 O ATOM 857 CB ARG A 62 8.896 6.905 -1.200 1.00 0.00 C ATOM 858 CG ARG A 62 7.656 7.738 -0.917 1.00 0.00 C ATOM 859 CD ARG A 62 8.016 9.075 -0.288 1.00 0.00 C ATOM 860 NE ARG A 62 8.442 10.053 -1.287 1.00 0.00 N ATOM 861 CZ ARG A 62 8.882 11.269 -0.984 1.00 0.00 C ATOM 862 NH1 ARG A 62 8.955 11.655 0.283 1.00 0.00 N ATOM 863 NH2 ARG A 62 9.252 12.102 -1.948 1.00 0.00 N ATOM 0 H ARG A 62 10.234 4.480 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 62 8.038 5.083 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.623 7.068 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.354 7.253 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.110 7.906 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.991 7.188 -0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.155 9.464 0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.814 8.930 0.440 1.00 0.00 H new ATOM 0 HE ARG A 62 8.399 9.787 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.673 11.017 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.293 12.589 0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.199 11.809 -2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.590 13.036 -1.714 1.00 0.00 H new ATOM 877 N TYR A 63 6.532 4.754 -2.379 1.00 0.00 N ATOM 878 CA TYR A 63 5.643 4.456 -3.496 1.00 0.00 C ATOM 879 C TYR A 63 4.198 4.800 -3.149 1.00 0.00 C ATOM 880 O TYR A 63 3.779 4.681 -1.997 1.00 0.00 O ATOM 881 CB TYR A 63 5.749 2.979 -3.879 1.00 0.00 C ATOM 882 CG TYR A 63 4.816 2.575 -4.999 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.171 2.768 -6.328 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.580 2.003 -4.726 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.321 2.401 -7.354 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.725 1.632 -5.746 1.00 0.00 C ATOM 887 CZ TYR A 63 3.099 1.833 -7.058 1.00 0.00 C ATOM 888 OH TYR A 63 2.250 1.467 -8.076 1.00 0.00 O ATOM 0 H TYR A 63 6.104 4.649 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 63 5.950 5.068 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.775 2.762 -4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.535 2.369 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.127 3.212 -6.563 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.282 1.846 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.612 2.558 -8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.768 1.187 -5.517 1.00 0.00 H new ATOM 0 HH TYR A 63 1.432 1.082 -7.697 1.00 0.00 H new ATOM 898 N SER A 64 3.441 5.227 -4.154 1.00 0.00 N ATOM 899 CA SER A 64 2.043 5.592 -3.956 1.00 0.00 C ATOM 900 C SER A 64 1.119 4.609 -4.668 1.00 0.00 C ATOM 901 O SER A 64 1.332 4.272 -5.833 1.00 0.00 O ATOM 902 CB SER A 64 1.787 7.011 -4.467 1.00 0.00 C ATOM 903 OG SER A 64 2.029 7.103 -5.860 1.00 0.00 O ATOM 0 H SER A 64 3.772 5.329 -5.113 1.00 0.00 H new ATOM 0 HA SER A 64 1.831 5.554 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.757 7.297 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.429 7.713 -3.936 1.00 0.00 H new ATOM 0 HG SER A 64 1.976 6.210 -6.261 1.00 0.00 H new ATOM 909 N ILE A 65 0.092 4.152 -3.958 1.00 0.00 N ATOM 910 CA ILE A 65 -0.866 3.209 -4.522 1.00 0.00 C ATOM 911 C ILE A 65 -2.096 3.930 -5.062 1.00 0.00 C ATOM 912 O ILE A 65 -2.577 4.891 -4.463 1.00 0.00 O ATOM 913 CB ILE A 65 -1.312 2.169 -3.477 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.126 1.301 -3.050 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.433 1.305 -4.035 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.684 1.898 -1.921 1.00 0.00 C ATOM 0 H ILE A 65 -0.097 4.419 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.360 2.697 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.687 2.696 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.494 0.322 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.526 1.142 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.737 0.575 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.284 1.935 -4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.082 0.785 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.508 1.229 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.082 2.864 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.047 2.031 -1.047 1.00 0.00 H new ATOM 928 N GLY A 66 -2.601 3.459 -6.198 1.00 0.00 N ATOM 929 CA GLY A 66 -3.772 4.069 -6.799 1.00 0.00 C ATOM 930 C GLY A 66 -4.741 3.044 -7.352 1.00 0.00 C ATOM 931 O GLY A 66 -4.357 1.913 -7.649 1.00 0.00 O ATOM 0 H GLY A 66 -2.220 2.665 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.281 4.681 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.458 4.737 -7.601 1.00 0.00 H new ATOM 935 N GLY A 67 -6.003 3.439 -7.490 1.00 0.00 N ATOM 936 CA GLY A 67 -7.011 2.533 -8.009 1.00 0.00 C ATOM 937 C GLY A 67 -7.867 1.928 -6.914 1.00 0.00 C ATOM 938 O GLY A 67 -8.359 0.807 -7.048 1.00 0.00 O ATOM 0 H GLY A 67 -6.345 4.370 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.650 3.069 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.524 1.734 -8.568 1.00 0.00 H new ATOM 942 N LEU A 68 -8.044 2.670 -5.826 1.00 0.00 N ATOM 943 CA LEU A 68 -8.845 2.200 -4.702 1.00 0.00 C ATOM 944 C LEU A 68 -10.175 2.944 -4.631 1.00 0.00 C ATOM 945 O LEU A 68 -10.450 3.823 -5.448 1.00 0.00 O ATOM 946 CB LEU A 68 -8.076 2.381 -3.392 1.00 0.00 C ATOM 947 CG LEU A 68 -6.600 1.984 -3.419 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.872 2.549 -2.209 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.456 0.470 -3.471 1.00 0.00 C ATOM 0 H LEU A 68 -7.643 3.599 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.051 1.140 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.145 3.428 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.574 1.797 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.148 2.404 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.823 2.256 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.945 3.637 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.325 2.160 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.399 0.206 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.925 0.029 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.941 0.089 -4.370 1.00 0.00 H new ATOM 961 N SER A 69 -10.995 2.587 -3.648 1.00 0.00 N ATOM 962 CA SER A 69 -12.297 3.219 -3.472 1.00 0.00 C ATOM 963 C SER A 69 -12.273 4.194 -2.298 1.00 0.00 C ATOM 964 O SER A 69 -11.607 3.971 -1.287 1.00 0.00 O ATOM 965 CB SER A 69 -13.377 2.159 -3.247 1.00 0.00 C ATOM 966 OG SER A 69 -14.605 2.754 -2.867 1.00 0.00 O ATOM 0 H SER A 69 -10.781 1.864 -2.961 1.00 0.00 H new ATOM 0 HA SER A 69 -12.529 3.776 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.517 1.579 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.052 1.463 -2.474 1.00 0.00 H new ATOM 0 HG SER A 69 -15.279 2.055 -2.731 1.00 0.00 H new ATOM 972 N PRO A 70 -13.018 5.301 -2.434 1.00 0.00 N ATOM 973 CA PRO A 70 -13.100 6.332 -1.395 1.00 0.00 C ATOM 974 C PRO A 70 -13.860 5.854 -0.163 1.00 0.00 C ATOM 975 O PRO A 70 -14.921 5.240 -0.275 1.00 0.00 O ATOM 976 CB PRO A 70 -13.859 7.469 -2.084 1.00 0.00 C ATOM 977 CG PRO A 70 -14.660 6.801 -3.147 1.00 0.00 C ATOM 978 CD PRO A 70 -13.838 5.631 -3.612 1.00 0.00 C ATOM 0 HA PRO A 70 -12.115 6.620 -1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.500 8.000 -1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.173 8.203 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.624 6.471 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.864 7.486 -3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.466 4.792 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.220 5.890 -4.472 1.00 0.00 H new ATOM 986 N PHE A 71 -13.311 6.139 1.013 1.00 0.00 N ATOM 987 CA PHE A 71 -13.937 5.738 2.267 1.00 0.00 C ATOM 988 C PHE A 71 -13.828 4.230 2.472 1.00 0.00 C ATOM 989 O PHE A 71 -14.780 3.580 2.903 1.00 0.00 O ATOM 990 CB PHE A 71 -15.407 6.161 2.286 1.00 0.00 C ATOM 991 CG PHE A 71 -15.938 6.424 3.666 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.289 7.306 4.516 1.00 0.00 C ATOM 993 CD2 PHE A 71 -17.085 5.790 4.114 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.775 7.549 5.787 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.576 6.030 5.384 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.920 6.911 6.221 1.00 0.00 C ATOM 0 H PHE A 71 -12.433 6.647 1.124 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.412 6.237 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.526 7.061 1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -16.007 5.381 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.394 7.809 4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.602 5.100 3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.259 8.237 6.440 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.471 5.529 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.302 7.101 7.213 1.00 0.00 H new ATOM 1006 N SER A 72 -12.659 3.679 2.158 1.00 0.00 N ATOM 1007 CA SER A 72 -12.425 2.247 2.302 1.00 0.00 C ATOM 1008 C SER A 72 -11.134 1.982 3.070 1.00 0.00 C ATOM 1009 O SER A 72 -10.232 2.819 3.094 1.00 0.00 O ATOM 1010 CB SER A 72 -12.361 1.578 0.927 1.00 0.00 C ATOM 1011 OG SER A 72 -11.181 1.948 0.235 1.00 0.00 O ATOM 0 H SER A 72 -11.860 4.203 1.802 1.00 0.00 H new ATOM 0 HA SER A 72 -13.256 1.823 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.393 0.495 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.235 1.861 0.340 1.00 0.00 H new ATOM 0 HG SER A 72 -11.419 2.457 -0.568 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.054 0.812 3.696 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.874 0.437 4.465 1.00 0.00 C ATOM 1019 C GLU A 73 -9.052 -0.613 3.723 1.00 0.00 C ATOM 1020 O GLU A 73 -9.584 -1.625 3.266 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.282 -0.097 5.840 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.199 0.047 6.895 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.712 -0.218 8.297 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.381 0.673 8.862 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.444 -1.315 8.831 1.00 0.00 O ATOM 0 H GLU A 73 -11.792 0.108 3.685 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.260 1.328 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.176 0.430 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.549 -1.150 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.386 -0.644 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.783 1.053 6.848 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.752 -0.364 3.608 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.856 -1.286 2.919 1.00 0.00 C ATOM 1034 C TYR A 74 -5.580 -1.510 3.725 1.00 0.00 C ATOM 1035 O TYR A 74 -5.121 -0.620 4.442 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.507 -0.749 1.530 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.529 -1.099 0.472 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.677 -0.334 0.307 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.346 -2.194 -0.363 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.614 -0.651 -0.658 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.276 -2.517 -1.332 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.408 -1.742 -1.476 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.338 -2.061 -2.439 1.00 0.00 O ATOM 0 H TYR A 74 -7.295 0.468 3.983 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.370 -2.241 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.408 0.335 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.536 -1.144 1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.840 0.523 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.461 -2.803 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.503 -0.048 -0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.118 -3.371 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.042 -2.856 -2.930 1.00 0.00 H new ATOM 1053 N ALA A 75 -5.012 -2.705 3.602 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.788 -3.046 4.316 1.00 0.00 C ATOM 1055 C ALA A 75 -2.600 -3.125 3.362 1.00 0.00 C ATOM 1056 O ALA A 75 -2.599 -3.918 2.421 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.960 -4.363 5.058 1.00 0.00 C ATOM 0 H ALA A 75 -5.380 -3.453 3.015 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.587 -2.257 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.038 -4.606 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.777 -4.273 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.188 -5.155 4.345 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.591 -2.297 3.612 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.398 -2.272 2.774 1.00 0.00 C ATOM 1065 C PHE A 76 0.759 -2.998 3.455 1.00 0.00 C ATOM 1066 O PHE A 76 0.796 -3.118 4.679 1.00 0.00 O ATOM 1067 CB PHE A 76 0.003 -0.828 2.464 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.078 -0.040 1.781 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.237 -0.104 0.406 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.934 0.767 2.514 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.231 0.620 -0.226 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.929 1.493 1.888 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.077 1.420 0.516 1.00 0.00 C ATOM 0 H PHE A 76 -1.576 -1.635 4.388 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.628 -2.786 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.275 -0.327 3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.892 -0.833 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.577 -0.727 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.822 0.829 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.345 0.560 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.591 2.117 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.853 1.988 0.025 1.00 0.00 H new ATOM 1083 N ARG A 77 1.701 -3.480 2.651 1.00 0.00 N ATOM 1084 CA ARG A 77 2.859 -4.196 3.174 1.00 0.00 C ATOM 1085 C ARG A 77 3.963 -4.285 2.124 1.00 0.00 C ATOM 1086 O ARG A 77 3.771 -4.864 1.055 1.00 0.00 O ATOM 1087 CB ARG A 77 2.455 -5.600 3.626 1.00 0.00 C ATOM 1088 CG ARG A 77 1.658 -6.370 2.585 1.00 0.00 C ATOM 1089 CD ARG A 77 1.270 -7.750 3.090 1.00 0.00 C ATOM 1090 NE ARG A 77 0.352 -8.428 2.178 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.238 -9.586 2.455 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.006 -10.191 3.612 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.061 -10.140 1.574 1.00 0.00 N ATOM 0 H ARG A 77 1.685 -3.388 1.635 1.00 0.00 H new ATOM 0 HA ARG A 77 3.241 -3.642 4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.353 -6.165 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.865 -5.523 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.759 -5.810 2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.247 -6.467 1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.168 -8.355 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.805 -7.659 4.072 1.00 0.00 H new ATOM 0 HE ARG A 77 0.153 -7.988 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.626 -9.768 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.460 -11.080 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.241 -9.677 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.513 -11.029 1.788 1.00 0.00 H new ATOM 1107 N VAL A 78 5.119 -3.708 2.438 1.00 0.00 N ATOM 1108 CA VAL A 78 6.253 -3.723 1.523 1.00 0.00 C ATOM 1109 C VAL A 78 7.247 -4.817 1.897 1.00 0.00 C ATOM 1110 O VAL A 78 7.342 -5.213 3.060 1.00 0.00 O ATOM 1111 CB VAL A 78 6.981 -2.366 1.509 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.028 -2.332 0.406 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.984 -1.229 1.344 1.00 0.00 C ATOM 0 H VAL A 78 5.294 -3.225 3.319 1.00 0.00 H new ATOM 0 HA VAL A 78 5.854 -3.923 0.528 1.00 0.00 H new ATOM 0 HB VAL A 78 7.490 -2.237 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.532 -1.365 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.759 -3.123 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.545 -2.483 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.515 -0.277 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.445 -1.351 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.276 -1.243 2.173 1.00 0.00 H new ATOM 1123 N LEU A 79 7.988 -5.300 0.906 1.00 0.00 N ATOM 1124 CA LEU A 79 8.977 -6.349 1.131 1.00 0.00 C ATOM 1125 C LEU A 79 10.170 -6.182 0.196 1.00 0.00 C ATOM 1126 O LEU A 79 10.019 -5.756 -0.948 1.00 0.00 O ATOM 1127 CB LEU A 79 8.344 -7.727 0.928 1.00 0.00 C ATOM 1128 CG LEU A 79 7.612 -7.939 -0.398 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.597 -9.414 -0.768 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.194 -7.394 -0.317 1.00 0.00 C ATOM 0 H LEU A 79 7.923 -4.982 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 79 9.330 -6.266 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.127 -8.481 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.641 -7.905 1.741 1.00 0.00 H new ATOM 0 HG LEU A 79 8.145 -7.395 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.072 -9.546 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.621 -9.775 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.087 -9.980 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.688 -7.553 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.650 -7.911 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.226 -6.327 -0.097 1.00 0.00 H new ATOM 1142 N ALA A 80 11.356 -6.522 0.691 1.00 0.00 N ATOM 1143 CA ALA A 80 12.574 -6.414 -0.101 1.00 0.00 C ATOM 1144 C ALA A 80 12.788 -7.661 -0.952 1.00 0.00 C ATOM 1145 O ALA A 80 12.474 -8.774 -0.531 1.00 0.00 O ATOM 1146 CB ALA A 80 13.774 -6.179 0.805 1.00 0.00 C ATOM 0 H ALA A 80 11.498 -6.875 1.637 1.00 0.00 H new ATOM 0 HA ALA A 80 12.467 -5.562 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.677 -6.100 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.631 -5.255 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.874 -7.013 1.500 1.00 0.00 H new ATOM 1152 N VAL A 81 13.324 -7.467 -2.154 1.00 0.00 N ATOM 1153 CA VAL A 81 13.580 -8.576 -3.064 1.00 0.00 C ATOM 1154 C VAL A 81 14.876 -8.364 -3.838 1.00 0.00 C ATOM 1155 O VAL A 81 15.144 -7.269 -4.330 1.00 0.00 O ATOM 1156 CB VAL A 81 12.422 -8.761 -4.064 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.610 -10.038 -4.868 1.00 0.00 C ATOM 1158 CG2 VAL A 81 11.087 -8.771 -3.335 1.00 0.00 C ATOM 0 H VAL A 81 13.589 -6.552 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 81 13.668 -9.473 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 81 12.425 -7.920 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.783 -10.152 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.549 -9.986 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.634 -10.893 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.280 -8.902 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.070 -9.592 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.953 -7.826 -2.808 1.00 0.00 H new ATOM 1168 N ASN A 82 15.676 -9.420 -3.942 1.00 0.00 N ATOM 1169 CA ASN A 82 16.946 -9.349 -4.657 1.00 0.00 C ATOM 1170 C ASN A 82 17.274 -10.685 -5.317 1.00 0.00 C ATOM 1171 O ASN A 82 16.499 -11.637 -5.233 1.00 0.00 O ATOM 1172 CB ASN A 82 18.072 -8.950 -3.701 1.00 0.00 C ATOM 1173 CG ASN A 82 18.644 -10.138 -2.953 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.525 -10.836 -3.455 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.143 -10.375 -1.746 1.00 0.00 N ATOM 0 H ASN A 82 15.468 -10.334 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 82 16.854 -8.592 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.867 -8.462 -4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.695 -8.220 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.488 -11.162 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.413 -9.770 -1.369 1.00 0.00 H new ATOM 1182 N SER A 83 18.428 -10.747 -5.974 1.00 0.00 N ATOM 1183 CA SER A 83 18.858 -11.964 -6.651 1.00 0.00 C ATOM 1184 C SER A 83 18.402 -13.202 -5.884 1.00 0.00 C ATOM 1185 O SER A 83 17.849 -14.137 -6.464 1.00 0.00 O ATOM 1186 CB SER A 83 20.380 -11.978 -6.805 1.00 0.00 C ATOM 1187 OG SER A 83 21.017 -11.542 -5.617 1.00 0.00 O ATOM 0 H SER A 83 19.082 -9.968 -6.052 1.00 0.00 H new ATOM 0 HA SER A 83 18.400 -11.981 -7.640 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.714 -12.986 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.671 -11.334 -7.635 1.00 0.00 H new ATOM 0 HG SER A 83 20.340 -11.342 -4.937 1.00 0.00 H new ATOM 1193 N ILE A 84 18.639 -13.200 -4.576 1.00 0.00 N ATOM 1194 CA ILE A 84 18.253 -14.322 -3.729 1.00 0.00 C ATOM 1195 C ILE A 84 16.759 -14.608 -3.843 1.00 0.00 C ATOM 1196 O ILE A 84 16.353 -15.718 -4.183 1.00 0.00 O ATOM 1197 CB ILE A 84 18.603 -14.059 -2.253 1.00 0.00 C ATOM 1198 CG1 ILE A 84 20.087 -13.717 -2.111 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.248 -15.268 -1.400 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.992 -14.597 -2.944 1.00 0.00 C ATOM 0 H ILE A 84 19.096 -12.435 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 84 18.814 -15.189 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 84 18.018 -13.208 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.241 -12.677 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.373 -13.804 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.502 -15.066 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.180 -15.469 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.808 -16.136 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 84 22.029 -14.298 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.867 -15.637 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.733 -14.492 -3.997 1.00 0.00 H new ATOM 1212 N GLY A 85 15.945 -13.597 -3.557 1.00 0.00 N ATOM 1213 CA GLY A 85 14.505 -13.759 -3.634 1.00 0.00 C ATOM 1214 C GLY A 85 13.758 -12.667 -2.895 1.00 0.00 C ATOM 1215 O GLY A 85 14.294 -11.582 -2.669 1.00 0.00 O ATOM 0 H GLY A 85 16.257 -12.668 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.198 -13.761 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.229 -14.728 -3.219 1.00 0.00 H new ATOM 1219 N ARG A 86 12.515 -12.953 -2.519 1.00 0.00 N ATOM 1220 CA ARG A 86 11.692 -11.985 -1.803 1.00 0.00 C ATOM 1221 C ARG A 86 11.525 -12.389 -0.341 1.00 0.00 C ATOM 1222 O ARG A 86 10.947 -13.432 -0.037 1.00 0.00 O ATOM 1223 CB ARG A 86 10.321 -11.859 -2.469 1.00 0.00 C ATOM 1224 CG ARG A 86 9.714 -13.194 -2.871 1.00 0.00 C ATOM 1225 CD ARG A 86 8.402 -13.007 -3.616 1.00 0.00 C ATOM 1226 NE ARG A 86 8.571 -12.222 -4.836 1.00 0.00 N ATOM 1227 CZ ARG A 86 7.634 -12.102 -5.769 1.00 0.00 C ATOM 1228 NH1 ARG A 86 6.466 -12.713 -5.622 1.00 0.00 N ATOM 1229 NH2 ARG A 86 7.863 -11.370 -6.851 1.00 0.00 N ATOM 0 H ARG A 86 12.056 -13.846 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 86 12.196 -11.019 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.640 -11.351 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.413 -11.230 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.417 -13.740 -3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.545 -13.801 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.986 -13.983 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.682 -12.512 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 86 9.458 -11.739 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.286 -13.276 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.748 -12.619 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.760 -10.898 -6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.142 -11.279 -7.567 1.00 0.00 H new ATOM 1243 N GLY A 87 12.036 -11.556 0.560 1.00 0.00 N ATOM 1244 CA GLY A 87 11.933 -11.844 1.979 1.00 0.00 C ATOM 1245 C GLY A 87 10.525 -11.657 2.508 1.00 0.00 C ATOM 1246 O GLY A 87 9.585 -11.402 1.756 1.00 0.00 O ATOM 0 H GLY A 87 12.519 -10.687 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.254 -12.870 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.614 -11.194 2.529 1.00 0.00 H new ATOM 1250 N PRO A 88 10.365 -11.786 3.834 1.00 0.00 N ATOM 1251 CA PRO A 88 9.065 -11.634 4.493 1.00 0.00 C ATOM 1252 C PRO A 88 8.571 -10.191 4.474 1.00 0.00 C ATOM 1253 O PRO A 88 9.354 -9.242 4.446 1.00 0.00 O ATOM 1254 CB PRO A 88 9.339 -12.087 5.929 1.00 0.00 C ATOM 1255 CG PRO A 88 10.797 -11.850 6.128 1.00 0.00 C ATOM 1256 CD PRO A 88 11.442 -12.089 4.792 1.00 0.00 C ATOM 0 HA PRO A 88 8.285 -12.208 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.744 -11.519 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.086 -13.138 6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.983 -10.834 6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.202 -12.524 6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.307 -11.443 4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.791 -13.117 4.692 1.00 0.00 H new ATOM 1264 N PRO A 89 7.240 -10.020 4.491 1.00 0.00 N ATOM 1265 CA PRO A 89 6.612 -8.696 4.478 1.00 0.00 C ATOM 1266 C PRO A 89 6.824 -7.941 5.786 1.00 0.00 C ATOM 1267 O PRO A 89 7.165 -8.535 6.809 1.00 0.00 O ATOM 1268 CB PRO A 89 5.128 -9.009 4.277 1.00 0.00 C ATOM 1269 CG PRO A 89 4.956 -10.390 4.810 1.00 0.00 C ATOM 1270 CD PRO A 89 6.247 -11.107 4.525 1.00 0.00 C ATOM 0 HA PRO A 89 7.034 -8.053 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.498 -8.298 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.851 -8.954 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.747 -10.372 5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.116 -10.892 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.479 -11.839 5.298 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.207 -11.645 3.578 1.00 0.00 H new ATOM 1278 N SER A 90 6.620 -6.628 5.746 1.00 0.00 N ATOM 1279 CA SER A 90 6.792 -5.791 6.927 1.00 0.00 C ATOM 1280 C SER A 90 5.467 -5.606 7.660 1.00 0.00 C ATOM 1281 O SER A 90 4.403 -5.921 7.128 1.00 0.00 O ATOM 1282 CB SER A 90 7.365 -4.428 6.534 1.00 0.00 C ATOM 1283 OG SER A 90 7.369 -3.539 7.637 1.00 0.00 O ATOM 0 H SER A 90 6.335 -6.121 4.908 1.00 0.00 H new ATOM 0 HA SER A 90 7.491 -6.291 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.381 -4.552 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.775 -4.002 5.722 1.00 0.00 H new ATOM 0 HG SER A 90 8.292 -3.375 7.922 1.00 0.00 H new ATOM 1289 N GLU A 91 5.541 -5.093 8.884 1.00 0.00 N ATOM 1290 CA GLU A 91 4.348 -4.867 9.691 1.00 0.00 C ATOM 1291 C GLU A 91 3.237 -4.238 8.854 1.00 0.00 C ATOM 1292 O GLU A 91 3.213 -3.025 8.647 1.00 0.00 O ATOM 1293 CB GLU A 91 4.674 -3.967 10.884 1.00 0.00 C ATOM 1294 CG GLU A 91 5.253 -2.619 10.489 1.00 0.00 C ATOM 1295 CD GLU A 91 6.103 -2.005 11.585 1.00 0.00 C ATOM 1296 OE1 GLU A 91 7.256 -2.452 11.763 1.00 0.00 O ATOM 1297 OE2 GLU A 91 5.616 -1.077 12.264 1.00 0.00 O ATOM 0 H GLU A 91 6.414 -4.826 9.338 1.00 0.00 H new ATOM 0 HA GLU A 91 4.001 -5.833 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.767 -3.807 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.383 -4.481 11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.857 -2.737 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.440 -1.937 10.240 1.00 0.00 H new ATOM 1304 N ALA A 92 2.319 -5.072 8.377 1.00 0.00 N ATOM 1305 CA ALA A 92 1.205 -4.599 7.565 1.00 0.00 C ATOM 1306 C ALA A 92 0.543 -3.381 8.198 1.00 0.00 C ATOM 1307 O ALA A 92 0.201 -3.392 9.381 1.00 0.00 O ATOM 1308 CB ALA A 92 0.188 -5.712 7.365 1.00 0.00 C ATOM 0 H ALA A 92 2.325 -6.079 8.539 1.00 0.00 H new ATOM 0 HA ALA A 92 1.597 -4.302 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.639 -5.345 6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.664 -6.553 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.191 -6.037 8.334 1.00 0.00 H new ATOM 1314 N VAL A 93 0.364 -2.330 7.404 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.259 -1.103 7.888 1.00 0.00 C ATOM 1316 C VAL A 93 -1.645 -0.914 7.281 1.00 0.00 C ATOM 1317 O VAL A 93 -1.862 -1.199 6.104 1.00 0.00 O ATOM 1318 CB VAL A 93 0.604 0.130 7.563 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.854 0.151 8.429 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.969 0.151 6.086 1.00 0.00 C ATOM 0 H VAL A 93 0.641 -2.303 6.423 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.349 -1.199 8.970 1.00 0.00 H new ATOM 0 HB VAL A 93 0.023 1.026 7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.451 1.030 8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.568 0.187 9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.440 -0.749 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.579 1.029 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.531 -0.749 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.059 0.188 5.487 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.579 -0.432 8.094 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.945 -0.205 7.637 1.00 0.00 C ATOM 1332 C ARG A 94 -4.224 1.286 7.476 1.00 0.00 C ATOM 1333 O ARG A 94 -4.100 2.058 8.427 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.943 -0.818 8.622 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.138 -2.314 8.441 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.388 -2.804 9.154 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.121 -3.160 10.545 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.339 -4.171 10.907 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -4.750 -4.921 9.986 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.145 -4.433 12.193 1.00 0.00 N ATOM 0 H ARG A 94 -2.415 -0.191 9.072 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.061 -0.686 6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.601 -0.625 9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.905 -0.319 8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.209 -2.547 7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.267 -2.845 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.153 -2.028 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.789 -3.671 8.629 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.559 -2.602 11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.897 -4.722 8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.150 -5.697 10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.596 -3.858 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.544 -5.209 12.470 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.601 1.685 6.265 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.899 3.083 5.980 1.00 0.00 C ATOM 1356 C ALA A 95 -6.222 3.221 5.235 1.00 0.00 C ATOM 1357 O ALA A 95 -6.424 2.604 4.189 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.770 3.709 5.174 1.00 0.00 C ATOM 0 H ALA A 95 -4.707 1.060 5.466 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.990 3.611 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.006 4.753 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.842 3.652 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.653 3.171 4.233 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.121 4.034 5.781 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.426 4.251 5.169 1.00 0.00 C ATOM 1366 C ARG A 96 -8.413 5.498 4.289 1.00 0.00 C ATOM 1367 O ARG A 96 -8.124 6.599 4.758 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.503 4.385 6.247 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.888 3.966 5.780 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.935 4.209 6.856 1.00 0.00 C ATOM 1371 NE ARG A 96 -13.249 3.705 6.464 1.00 0.00 N ATOM 1372 CZ ARG A 96 -14.264 3.566 7.309 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -14.118 3.891 8.586 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -15.429 3.100 6.877 1.00 0.00 N ATOM 0 H ARG A 96 -6.969 4.553 6.646 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.654 3.388 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.221 3.779 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.541 5.421 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.153 4.521 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.879 2.910 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.623 3.726 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.003 5.277 7.061 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.395 3.446 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.224 4.249 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.900 3.783 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.545 2.848 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.208 2.993 7.527 1.00 0.00 H new ATOM 1388 N THR A 97 -8.729 5.318 3.010 1.00 0.00 N ATOM 1389 CA THR A 97 -8.752 6.427 2.065 1.00 0.00 C ATOM 1390 C THR A 97 -9.848 7.426 2.417 1.00 0.00 C ATOM 1391 O THR A 97 -10.869 7.063 2.998 1.00 0.00 O ATOM 1392 CB THR A 97 -8.968 5.931 0.623 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.353 5.633 0.410 1.00 0.00 O ATOM 1394 CG2 THR A 97 -8.130 4.693 0.344 1.00 0.00 C ATOM 0 H THR A 97 -8.973 4.414 2.605 1.00 0.00 H new ATOM 0 HA THR A 97 -7.782 6.919 2.130 1.00 0.00 H new ATOM 0 HB THR A 97 -8.657 6.722 -0.060 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.439 4.979 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.300 4.362 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.075 4.930 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.414 3.898 1.034 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.629 8.688 2.059 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.607 9.720 2.345 1.00 0.00 C ATOM 1404 C GLY A 98 -11.882 9.549 1.544 1.00 0.00 C ATOM 1405 O GLY A 98 -11.963 8.684 0.672 1.00 0.00 O ATOM 0 H GLY A 98 -8.792 9.013 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.845 9.706 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.174 10.697 2.129 1.00 0.00 H new ATOM 1409 N GLU A 99 -12.882 10.374 1.840 1.00 0.00 N ATOM 1410 CA GLU A 99 -14.160 10.306 1.141 1.00 0.00 C ATOM 1411 C GLU A 99 -14.420 11.590 0.359 1.00 0.00 C ATOM 1412 O GLU A 99 -15.236 12.419 0.761 1.00 0.00 O ATOM 1413 CB GLU A 99 -15.297 10.062 2.135 1.00 0.00 C ATOM 1414 CG GLU A 99 -15.050 10.670 3.505 1.00 0.00 C ATOM 1415 CD GLU A 99 -16.335 11.008 4.234 1.00 0.00 C ATOM 1416 OE1 GLU A 99 -17.240 10.148 4.274 1.00 0.00 O ATOM 1417 OE2 GLU A 99 -16.436 12.134 4.766 1.00 0.00 O ATOM 0 H GLU A 99 -12.832 11.096 2.558 1.00 0.00 H new ATOM 0 HA GLU A 99 -14.117 9.475 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -16.220 10.473 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.447 8.988 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.467 9.973 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.451 11.574 3.394 1.00 0.00 H new ATOM 1424 N GLN A 100 -13.721 11.746 -0.761 1.00 0.00 N ATOM 1425 CA GLN A 100 -13.876 12.929 -1.599 1.00 0.00 C ATOM 1426 C GLN A 100 -14.786 12.639 -2.788 1.00 0.00 C ATOM 1427 O GLN A 100 -15.872 13.208 -2.904 1.00 0.00 O ATOM 1428 CB GLN A 100 -12.511 13.412 -2.093 1.00 0.00 C ATOM 1429 CG GLN A 100 -12.492 14.879 -2.492 1.00 0.00 C ATOM 1430 CD GLN A 100 -11.121 15.508 -2.340 1.00 0.00 C ATOM 1431 OE1 GLN A 100 -10.288 15.434 -3.244 1.00 0.00 O ATOM 1432 NE2 GLN A 100 -10.880 16.133 -1.194 1.00 0.00 N ATOM 0 H GLN A 100 -13.042 11.068 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.335 13.712 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.771 13.248 -1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.209 12.808 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.818 14.974 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.209 15.427 -1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.600 16.170 -0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.975 16.576 -1.035 1.00 0.00 H new ATOM 1441 N SER A 101 -14.336 11.751 -3.668 1.00 0.00 N ATOM 1442 CA SER A 101 -15.109 11.389 -4.851 1.00 0.00 C ATOM 1443 C SER A 101 -16.124 10.299 -4.523 1.00 0.00 C ATOM 1444 O SER A 101 -16.234 9.302 -5.236 1.00 0.00 O ATOM 1445 CB SER A 101 -14.178 10.915 -5.969 1.00 0.00 C ATOM 1446 OG SER A 101 -13.621 9.648 -5.666 1.00 0.00 O ATOM 0 H SER A 101 -13.441 11.269 -3.585 1.00 0.00 H new ATOM 0 HA SER A 101 -15.648 12.274 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.731 10.858 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.379 11.642 -6.114 1.00 0.00 H new ATOM 0 HG SER A 101 -14.341 9.008 -5.487 1.00 0.00 H new ATOM 1452 N GLY A 102 -16.866 10.496 -3.437 1.00 0.00 N ATOM 1453 CA GLY A 102 -17.863 9.523 -3.032 1.00 0.00 C ATOM 1454 C GLY A 102 -18.870 9.235 -4.128 1.00 0.00 C ATOM 1455 O GLY A 102 -19.316 10.132 -4.843 1.00 0.00 O ATOM 0 H GLY A 102 -16.794 11.313 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -17.366 8.596 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -18.386 9.890 -2.149 1.00 0.00 H new ATOM 1459 N PRO A 103 -19.243 7.954 -4.273 1.00 0.00 N ATOM 1460 CA PRO A 103 -20.207 7.520 -5.288 1.00 0.00 C ATOM 1461 C PRO A 103 -21.622 8.000 -4.986 1.00 0.00 C ATOM 1462 O PRO A 103 -22.394 8.300 -5.897 1.00 0.00 O ATOM 1463 CB PRO A 103 -20.134 5.993 -5.217 1.00 0.00 C ATOM 1464 CG PRO A 103 -19.668 5.700 -3.833 1.00 0.00 C ATOM 1465 CD PRO A 103 -18.752 6.832 -3.456 1.00 0.00 C ATOM 0 HA PRO A 103 -19.973 7.926 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -21.107 5.541 -5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.443 5.595 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -20.510 5.633 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.145 4.744 -3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -18.807 7.056 -2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.711 6.598 -3.679 1.00 0.00 H new ATOM 1473 N SER A 104 -21.957 8.071 -3.702 1.00 0.00 N ATOM 1474 CA SER A 104 -23.281 8.512 -3.280 1.00 0.00 C ATOM 1475 C SER A 104 -23.201 9.842 -2.538 1.00 0.00 C ATOM 1476 O SER A 104 -22.115 10.303 -2.184 1.00 0.00 O ATOM 1477 CB SER A 104 -23.933 7.455 -2.387 1.00 0.00 C ATOM 1478 OG SER A 104 -25.291 7.770 -2.132 1.00 0.00 O ATOM 0 H SER A 104 -21.329 7.829 -2.935 1.00 0.00 H new ATOM 0 HA SER A 104 -23.892 8.651 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 104 -23.867 6.478 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 104 -23.390 7.385 -1.445 1.00 0.00 H new ATOM 0 HG SER A 104 -25.686 7.078 -1.561 1.00 0.00 H new ATOM 1484 N SER A 105 -24.357 10.454 -2.305 1.00 0.00 N ATOM 1485 CA SER A 105 -24.419 11.733 -1.608 1.00 0.00 C ATOM 1486 C SER A 105 -24.726 11.531 -0.128 1.00 0.00 C ATOM 1487 O SER A 105 -25.555 12.235 0.447 1.00 0.00 O ATOM 1488 CB SER A 105 -25.481 12.634 -2.243 1.00 0.00 C ATOM 1489 OG SER A 105 -26.770 12.056 -2.134 1.00 0.00 O ATOM 0 H SER A 105 -25.264 10.084 -2.589 1.00 0.00 H new ATOM 0 HA SER A 105 -23.445 12.214 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 105 -25.474 13.609 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 105 -25.241 12.800 -3.293 1.00 0.00 H new ATOM 0 HG SER A 105 -27.431 12.651 -2.545 1.00 0.00 H new ATOM 1495 N GLY A 106 -24.051 10.563 0.484 1.00 0.00 N ATOM 1496 CA GLY A 106 -24.265 10.284 1.892 1.00 0.00 C ATOM 1497 C GLY A 106 -24.639 8.838 2.146 1.00 0.00 C ATOM 1498 O GLY A 106 -24.915 8.452 3.282 1.00 0.00 O ATOM 0 H GLY A 106 -23.359 9.967 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -23.359 10.525 2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -25.055 10.932 2.272 1.00 0.00 H new TER 1502 GLY A 106