USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 64 ASN : amide:sc= -4.74! C(o=-10!,f=-11!) USER MOD Set 1.2: A 87 GLN : amide:sc= -5.37! C(o=-10!,f=-11!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -8.54! C(o=-10!,f=-14!) USER MOD Set 2.2: A 51 TYR OH : rot -24:sc= -1.55! USER MOD Set 3.1: A 48 CYS SG : rot -170:sc= -1.36! USER MOD Set 3.2: A 86 CYS SG : rot 180:sc= 0.232 USER MOD Set 4.1: A 45 CYS SG : rot 180:sc= 0.858 USER MOD Set 4.2: A 47 THR OG1 : rot 88:sc= 0.053 USER MOD Set 5.1: A 29 SER OG : rot -71:sc= 0.811 USER MOD Set 5.2: A 30 ASN :FLIP amide:sc= -2.8! F(o=-2.6,f=-2!) USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.264 (180deg=0.0158) USER MOD Single : A 1 SER OG : rot 34:sc= -2.26 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -73:sc= -0.604 USER MOD Single : A 7 SER OG : rot -73:sc= -1.29 USER MOD Single : A 8 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-11!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 24 MET CE :methyl 165:sc= -0.443 (180deg=-1.04) USER MOD Single : A 25 GLN : amide:sc= -0.758 K(o=-0.76,f=-1.4) USER MOD Single : A 53 ASN : amide:sc= -7.16! C(o=-7.2!,f=-8.5!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.604 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -163:sc= -0.504 (180deg=-1.54) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -80:sc= -3.46! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -8.37! C(o=-8.4!,f=-15!) USER MOD Single : A 82 SER OG : rot 20:sc= -0.211! USER MOD Single : A 85 CYS SG : rot 180:sc= -1.79 USER MOD Single : A 90 MET CE :methyl 165:sc= -1.01 (180deg=-1.37) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 105 GLN : amide:sc= -2.07! C(o=-2.1!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.043 -9.224 3.613 1.00 0.00 N ATOM 2 CA SER A 1 9.789 -9.756 3.012 1.00 0.00 C ATOM 3 C SER A 1 9.747 -9.394 1.525 1.00 0.00 C ATOM 4 O SER A 1 10.264 -8.376 1.114 1.00 0.00 O ATOM 5 CB SER A 1 8.579 -9.140 3.714 1.00 0.00 C ATOM 6 OG SER A 1 8.861 -7.781 4.027 1.00 0.00 O ATOM 0 H1 SER A 1 11.413 -9.906 4.305 1.00 0.00 H new ATOM 0 H2 SER A 1 11.749 -9.072 2.865 1.00 0.00 H new ATOM 0 H3 SER A 1 10.844 -8.321 4.089 1.00 0.00 H new ATOM 0 HA SER A 1 9.764 -10.839 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.700 -9.203 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.350 -9.695 4.624 1.00 0.00 H new ATOM 0 HG SER A 1 9.432 -7.396 3.330 1.00 0.00 H new ATOM 14 N LYS A 2 9.131 -10.214 0.719 1.00 0.00 N ATOM 15 CA LYS A 2 9.057 -9.907 -0.722 1.00 0.00 C ATOM 16 C LYS A 2 7.836 -9.032 -0.952 1.00 0.00 C ATOM 17 O LYS A 2 6.739 -9.395 -0.608 1.00 0.00 O ATOM 18 CB LYS A 2 8.900 -11.231 -1.504 1.00 0.00 C ATOM 19 CG LYS A 2 10.240 -11.651 -2.129 1.00 0.00 C ATOM 20 CD LYS A 2 10.470 -10.893 -3.455 1.00 0.00 C ATOM 21 CE LYS A 2 9.806 -11.643 -4.620 1.00 0.00 C ATOM 22 NZ LYS A 2 9.614 -10.708 -5.764 1.00 0.00 N ATOM 0 H LYS A 2 8.678 -11.082 1.004 1.00 0.00 H new ATOM 0 HA LYS A 2 9.957 -9.392 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.543 -12.014 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.149 -11.112 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.055 -11.442 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.244 -12.726 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.060 -9.886 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.539 -10.790 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.426 -12.486 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.846 -12.051 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.165 -11.214 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.006 -9.918 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.537 -10.339 -6.070 1.00 0.00 H new ATOM 36 N VAL A 3 8.006 -7.874 -1.494 1.00 0.00 N ATOM 37 CA VAL A 3 6.846 -6.972 -1.719 1.00 0.00 C ATOM 38 C VAL A 3 6.732 -6.699 -3.208 1.00 0.00 C ATOM 39 O VAL A 3 7.657 -6.228 -3.811 1.00 0.00 O ATOM 40 CB VAL A 3 7.145 -5.674 -0.956 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.493 -4.455 -1.610 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.639 -5.826 0.465 1.00 0.00 C ATOM 0 H VAL A 3 8.906 -7.503 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 3 5.909 -7.408 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 3 8.222 -5.506 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.733 -3.561 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.869 -4.343 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.412 -4.591 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.843 -4.912 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.565 -6.011 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.145 -6.664 0.944 1.00 0.00 H new ATOM 52 N VAL A 4 5.603 -6.980 -3.786 1.00 0.00 N ATOM 53 CA VAL A 4 5.414 -6.726 -5.241 1.00 0.00 C ATOM 54 C VAL A 4 4.398 -5.598 -5.417 1.00 0.00 C ATOM 55 O VAL A 4 3.331 -5.605 -4.867 1.00 0.00 O ATOM 56 CB VAL A 4 4.915 -8.003 -5.906 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.842 -7.834 -7.435 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.867 -9.153 -5.559 1.00 0.00 C ATOM 0 H VAL A 4 4.794 -7.379 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 4 6.356 -6.432 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 4 3.912 -8.223 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.483 -8.759 -7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.157 -7.022 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.834 -7.602 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.516 -10.071 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.868 -8.918 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.894 -9.289 -4.478 1.00 0.00 H new ATOM 68 N TYR A 5 4.746 -4.654 -6.226 1.00 0.00 N ATOM 69 CA TYR A 5 3.855 -3.503 -6.530 1.00 0.00 C ATOM 70 C TYR A 5 3.364 -3.646 -7.972 1.00 0.00 C ATOM 71 O TYR A 5 4.154 -3.639 -8.892 1.00 0.00 O ATOM 72 CB TYR A 5 4.652 -2.210 -6.405 1.00 0.00 C ATOM 73 CG TYR A 5 4.880 -1.856 -4.959 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.859 -1.256 -4.210 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.126 -2.101 -4.366 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.086 -0.906 -2.875 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.352 -1.743 -3.034 1.00 0.00 C ATOM 78 CZ TYR A 5 5.334 -1.146 -2.292 1.00 0.00 C ATOM 79 OH TYR A 5 5.566 -0.782 -0.978 1.00 0.00 O ATOM 0 H TYR A 5 5.643 -4.626 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 5 3.012 -3.483 -5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.611 -2.319 -6.912 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.118 -1.400 -6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.898 -1.064 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.913 -2.567 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.297 -0.450 -2.295 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.314 -1.929 -2.580 1.00 0.00 H new ATOM 0 HH TYR A 5 5.641 0.193 -0.917 1.00 0.00 H new ATOM 89 N VAL A 6 2.078 -3.740 -8.181 1.00 0.00 N ATOM 90 CA VAL A 6 1.558 -3.844 -9.588 1.00 0.00 C ATOM 91 C VAL A 6 1.073 -2.455 -9.990 1.00 0.00 C ATOM 92 O VAL A 6 0.101 -1.948 -9.483 1.00 0.00 O ATOM 93 CB VAL A 6 0.423 -4.867 -9.649 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.072 -5.152 -11.114 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.881 -6.162 -8.980 1.00 0.00 C ATOM 0 H VAL A 6 1.366 -3.750 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 6 2.334 -4.182 -10.275 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.454 -4.474 -9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.737 -5.881 -11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.245 -4.228 -11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.948 -5.549 -11.627 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.076 -6.896 -9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.755 -6.552 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.139 -5.963 -7.940 1.00 0.00 H new ATOM 105 N SER A 7 1.776 -1.830 -10.888 1.00 0.00 N ATOM 106 CA SER A 7 1.403 -0.459 -11.302 1.00 0.00 C ATOM 107 C SER A 7 0.117 -0.475 -12.119 1.00 0.00 C ATOM 108 O SER A 7 -0.447 -1.509 -12.420 1.00 0.00 O ATOM 109 CB SER A 7 2.531 0.140 -12.144 1.00 0.00 C ATOM 110 OG SER A 7 2.468 -0.387 -13.457 1.00 0.00 O ATOM 0 H SER A 7 2.598 -2.215 -11.354 1.00 0.00 H new ATOM 0 HA SER A 7 1.242 0.145 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.442 1.226 -12.171 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.497 -0.089 -11.694 1.00 0.00 H new ATOM 0 HG SER A 7 2.777 -1.317 -13.451 1.00 0.00 H new ATOM 116 N HIS A 8 -0.332 0.685 -12.482 1.00 0.00 N ATOM 117 CA HIS A 8 -1.576 0.794 -13.296 1.00 0.00 C ATOM 118 C HIS A 8 -1.220 0.411 -14.732 1.00 0.00 C ATOM 119 O HIS A 8 -1.945 -0.295 -15.404 1.00 0.00 O ATOM 120 CB HIS A 8 -2.144 2.244 -13.226 1.00 0.00 C ATOM 121 CG HIS A 8 -1.234 3.131 -12.413 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.707 2.739 -11.196 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.752 4.398 -12.642 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.053 3.752 -10.734 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.058 4.783 -11.577 1.00 0.00 N ATOM 0 H HIS A 8 0.110 1.575 -12.250 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.349 0.128 -12.913 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.250 2.648 -14.233 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.139 2.230 -12.782 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -0.865 1.845 -10.732 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.968 5.000 -13.512 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.591 3.730 -9.798 1.00 0.00 H new ATOM 134 N ASP A 9 -0.096 0.874 -15.189 1.00 0.00 N ATOM 135 CA ASP A 9 0.334 0.545 -16.569 1.00 0.00 C ATOM 136 C ASP A 9 0.605 -0.960 -16.673 1.00 0.00 C ATOM 137 O ASP A 9 0.885 -1.475 -17.737 1.00 0.00 O ATOM 138 CB ASP A 9 1.611 1.329 -16.908 1.00 0.00 C ATOM 139 CG ASP A 9 2.480 1.443 -15.650 1.00 0.00 C ATOM 140 OD1 ASP A 9 2.000 1.989 -14.672 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.608 0.985 -15.689 1.00 0.00 O ATOM 0 H ASP A 9 0.546 1.468 -14.664 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.452 0.818 -17.273 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.162 0.824 -17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.355 2.321 -17.279 1.00 0.00 H new ATOM 146 N GLY A 10 0.517 -1.678 -15.581 1.00 0.00 N ATOM 147 CA GLY A 10 0.762 -3.155 -15.632 1.00 0.00 C ATOM 148 C GLY A 10 2.216 -3.464 -15.264 1.00 0.00 C ATOM 149 O GLY A 10 2.555 -4.590 -14.954 1.00 0.00 O ATOM 0 H GLY A 10 0.287 -1.308 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.089 -3.666 -14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.544 -3.533 -16.631 1.00 0.00 H new ATOM 153 N THR A 11 3.085 -2.488 -15.290 1.00 0.00 N ATOM 154 CA THR A 11 4.506 -2.761 -14.948 1.00 0.00 C ATOM 155 C THR A 11 4.604 -3.088 -13.449 1.00 0.00 C ATOM 156 O THR A 11 3.956 -2.480 -12.628 1.00 0.00 O ATOM 157 CB THR A 11 5.384 -1.548 -15.323 1.00 0.00 C ATOM 158 OG1 THR A 11 6.600 -2.017 -15.887 1.00 0.00 O ATOM 159 CG2 THR A 11 5.706 -0.670 -14.101 1.00 0.00 C ATOM 0 H THR A 11 2.871 -1.520 -15.532 1.00 0.00 H new ATOM 0 HA THR A 11 4.871 -3.617 -15.516 1.00 0.00 H new ATOM 0 HB THR A 11 4.830 -0.939 -16.037 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.164 -1.253 -16.130 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.326 0.172 -14.411 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.779 -0.297 -13.666 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.242 -1.262 -13.359 1.00 0.00 H new ATOM 167 N ARG A 12 5.385 -4.078 -13.125 1.00 0.00 N ATOM 168 CA ARG A 12 5.525 -4.520 -11.703 1.00 0.00 C ATOM 169 C ARG A 12 6.935 -4.225 -11.157 1.00 0.00 C ATOM 170 O ARG A 12 7.931 -4.450 -11.819 1.00 0.00 O ATOM 171 CB ARG A 12 5.227 -6.024 -11.652 1.00 0.00 C ATOM 172 CG ARG A 12 3.772 -6.263 -12.093 1.00 0.00 C ATOM 173 CD ARG A 12 3.600 -7.694 -12.597 1.00 0.00 C ATOM 174 NE ARG A 12 4.341 -7.843 -13.884 1.00 0.00 N ATOM 175 CZ ARG A 12 4.159 -8.897 -14.635 1.00 0.00 C ATOM 176 NH1 ARG A 12 3.437 -9.896 -14.202 1.00 0.00 N ATOM 177 NH2 ARG A 12 4.732 -8.962 -15.807 1.00 0.00 N ATOM 0 H ARG A 12 5.943 -4.611 -13.793 1.00 0.00 H new ATOM 0 HA ARG A 12 4.825 -3.969 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.912 -6.566 -12.305 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.381 -6.404 -10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.097 -6.081 -11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.503 -5.558 -12.880 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.978 -8.402 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.543 -7.919 -12.742 1.00 0.00 H new ATOM 0 HE ARG A 12 4.994 -7.117 -14.179 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.013 -9.855 -13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.297 -10.717 -14.791 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.318 -8.193 -16.132 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.594 -9.782 -16.398 1.00 0.00 H new ATOM 191 N ARG A 13 7.009 -3.746 -9.935 1.00 0.00 N ATOM 192 CA ARG A 13 8.325 -3.444 -9.273 1.00 0.00 C ATOM 193 C ARG A 13 8.275 -4.113 -7.902 1.00 0.00 C ATOM 194 O ARG A 13 7.329 -3.926 -7.163 1.00 0.00 O ATOM 195 CB ARG A 13 8.532 -1.908 -9.116 1.00 0.00 C ATOM 196 CG ARG A 13 7.233 -1.167 -9.450 1.00 0.00 C ATOM 197 CD ARG A 13 7.397 0.353 -9.259 1.00 0.00 C ATOM 198 NE ARG A 13 6.808 1.048 -10.443 1.00 0.00 N ATOM 199 CZ ARG A 13 6.008 2.083 -10.317 1.00 0.00 C ATOM 200 NH1 ARG A 13 5.635 2.531 -9.150 1.00 0.00 N ATOM 201 NH2 ARG A 13 5.572 2.664 -11.394 1.00 0.00 N ATOM 0 H ARG A 13 6.194 -3.547 -9.355 1.00 0.00 H new ATOM 0 HA ARG A 13 9.156 -3.816 -9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.840 -1.677 -8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.332 -1.571 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.945 -1.378 -10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.428 -1.532 -8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.899 0.675 -8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.451 0.610 -9.155 1.00 0.00 H new ATOM 0 HE ARG A 13 7.034 0.709 -11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.965 2.075 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.013 3.337 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.852 2.315 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.950 3.469 -11.323 1.00 0.00 H new ATOM 215 N GLU A 14 9.256 -4.910 -7.572 1.00 0.00 N ATOM 216 CA GLU A 14 9.236 -5.622 -6.256 1.00 0.00 C ATOM 217 C GLU A 14 10.409 -5.164 -5.367 1.00 0.00 C ATOM 218 O GLU A 14 11.516 -4.988 -5.840 1.00 0.00 O ATOM 219 CB GLU A 14 9.350 -7.135 -6.518 1.00 0.00 C ATOM 220 CG GLU A 14 8.666 -7.483 -7.853 1.00 0.00 C ATOM 221 CD GLU A 14 9.647 -7.281 -9.020 1.00 0.00 C ATOM 222 OE1 GLU A 14 10.731 -7.837 -8.955 1.00 0.00 O ATOM 223 OE2 GLU A 14 9.295 -6.577 -9.952 1.00 0.00 O ATOM 0 H GLU A 14 10.071 -5.100 -8.155 1.00 0.00 H new ATOM 0 HA GLU A 14 8.305 -5.392 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.399 -7.431 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.885 -7.691 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.320 -8.516 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.787 -6.855 -7.994 1.00 0.00 H new ATOM 230 N LEU A 15 10.174 -4.981 -4.078 1.00 0.00 N ATOM 231 CA LEU A 15 11.274 -4.550 -3.152 1.00 0.00 C ATOM 232 C LEU A 15 11.357 -5.491 -1.957 1.00 0.00 C ATOM 233 O LEU A 15 10.490 -6.304 -1.712 1.00 0.00 O ATOM 234 CB LEU A 15 10.991 -3.143 -2.555 1.00 0.00 C ATOM 235 CG LEU A 15 9.995 -2.384 -3.388 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.724 -1.051 -2.662 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.548 -2.126 -4.812 1.00 0.00 C ATOM 0 H LEU A 15 9.266 -5.113 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 15 12.192 -4.550 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.613 -3.247 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.921 -2.578 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 15 9.075 -2.958 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.004 -0.465 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.322 -1.253 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.655 -0.491 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.809 -1.576 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.466 -1.542 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.758 -3.078 -5.299 1.00 0.00 H new ATOM 249 N ASP A 16 12.374 -5.292 -1.182 1.00 0.00 N ATOM 250 CA ASP A 16 12.548 -6.047 0.062 1.00 0.00 C ATOM 251 C ASP A 16 12.252 -5.031 1.166 1.00 0.00 C ATOM 252 O ASP A 16 12.988 -4.081 1.346 1.00 0.00 O ATOM 253 CB ASP A 16 13.998 -6.540 0.166 1.00 0.00 C ATOM 254 CG ASP A 16 14.151 -7.867 -0.574 1.00 0.00 C ATOM 255 OD1 ASP A 16 14.187 -7.836 -1.795 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.233 -8.889 0.079 1.00 0.00 O ATOM 0 H ASP A 16 13.112 -4.614 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 16 11.903 -6.923 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.675 -5.798 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.275 -6.664 1.213 1.00 0.00 H new ATOM 261 N VAL A 17 11.197 -5.218 1.916 1.00 0.00 N ATOM 262 CA VAL A 17 10.855 -4.259 3.021 1.00 0.00 C ATOM 263 C VAL A 17 11.055 -4.996 4.350 1.00 0.00 C ATOM 264 O VAL A 17 10.517 -6.064 4.572 1.00 0.00 O ATOM 265 CB VAL A 17 9.389 -3.799 2.838 1.00 0.00 C ATOM 266 CG1 VAL A 17 9.113 -2.444 3.552 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.146 -3.640 1.334 1.00 0.00 C ATOM 0 H VAL A 17 10.549 -5.999 1.813 1.00 0.00 H new ATOM 0 HA VAL A 17 11.490 -3.373 3.007 1.00 0.00 H new ATOM 0 HB VAL A 17 8.721 -4.538 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.073 -2.157 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.307 -2.549 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.766 -1.675 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.119 -3.316 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.833 -2.896 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.312 -4.595 0.836 1.00 0.00 H new ATOM 277 N ALA A 18 11.867 -4.454 5.220 1.00 0.00 N ATOM 278 CA ALA A 18 12.157 -5.140 6.511 1.00 0.00 C ATOM 279 C ALA A 18 10.910 -5.197 7.398 1.00 0.00 C ATOM 280 O ALA A 18 9.975 -4.437 7.248 1.00 0.00 O ATOM 281 CB ALA A 18 13.296 -4.398 7.239 1.00 0.00 C ATOM 0 H ALA A 18 12.343 -3.561 5.090 1.00 0.00 H new ATOM 0 HA ALA A 18 12.463 -6.165 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.510 -4.898 8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.190 -4.402 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.994 -3.369 7.433 1.00 0.00 H new ATOM 287 N ASP A 19 10.918 -6.106 8.329 1.00 0.00 N ATOM 288 CA ASP A 19 9.779 -6.257 9.263 1.00 0.00 C ATOM 289 C ASP A 19 9.539 -4.939 9.991 1.00 0.00 C ATOM 290 O ASP A 19 10.455 -4.254 10.399 1.00 0.00 O ATOM 291 CB ASP A 19 10.112 -7.351 10.275 1.00 0.00 C ATOM 292 CG ASP A 19 11.318 -6.922 11.111 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.239 -6.360 10.537 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.301 -7.163 12.307 1.00 0.00 O ATOM 0 H ASP A 19 11.683 -6.763 8.482 1.00 0.00 H new ATOM 0 HA ASP A 19 8.879 -6.528 8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.255 -7.536 10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.328 -8.286 9.758 1.00 0.00 H new ATOM 299 N GLY A 20 8.301 -4.600 10.161 1.00 0.00 N ATOM 300 CA GLY A 20 7.966 -3.336 10.883 1.00 0.00 C ATOM 301 C GLY A 20 8.110 -2.127 9.959 1.00 0.00 C ATOM 302 O GLY A 20 7.859 -1.011 10.361 1.00 0.00 O ATOM 0 H GLY A 20 7.499 -5.139 9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.946 -3.389 11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.622 -3.220 11.746 1.00 0.00 H new ATOM 306 N VAL A 21 8.517 -2.307 8.728 1.00 0.00 N ATOM 307 CA VAL A 21 8.666 -1.128 7.822 1.00 0.00 C ATOM 308 C VAL A 21 7.352 -0.886 7.091 1.00 0.00 C ATOM 309 O VAL A 21 6.603 -1.804 6.823 1.00 0.00 O ATOM 310 CB VAL A 21 9.736 -1.418 6.769 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.899 -0.207 5.853 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.070 -1.746 7.436 1.00 0.00 C ATOM 0 H VAL A 21 8.750 -3.210 8.314 1.00 0.00 H new ATOM 0 HA VAL A 21 8.944 -0.259 8.418 1.00 0.00 H new ATOM 0 HB VAL A 21 9.421 -2.279 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.662 -0.417 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.952 0.004 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.199 0.658 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.819 -1.950 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.392 -0.899 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.953 -2.624 8.072 1.00 0.00 H new ATOM 322 N SER A 22 7.061 0.341 6.754 1.00 0.00 N ATOM 323 CA SER A 22 5.794 0.631 6.036 1.00 0.00 C ATOM 324 C SER A 22 6.037 0.539 4.527 1.00 0.00 C ATOM 325 O SER A 22 7.027 1.023 4.019 1.00 0.00 O ATOM 326 CB SER A 22 5.322 2.041 6.386 1.00 0.00 C ATOM 327 OG SER A 22 6.248 2.988 5.865 1.00 0.00 O ATOM 0 H SER A 22 7.648 1.153 6.946 1.00 0.00 H new ATOM 0 HA SER A 22 5.033 -0.092 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.330 2.219 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.240 2.152 7.467 1.00 0.00 H new ATOM 0 HG SER A 22 5.948 3.894 6.086 1.00 0.00 H new ATOM 333 N LEU A 23 5.137 -0.070 3.807 1.00 0.00 N ATOM 334 CA LEU A 23 5.311 -0.180 2.331 1.00 0.00 C ATOM 335 C LEU A 23 5.599 1.204 1.757 1.00 0.00 C ATOM 336 O LEU A 23 6.204 1.348 0.720 1.00 0.00 O ATOM 337 CB LEU A 23 4.013 -0.715 1.717 1.00 0.00 C ATOM 338 CG LEU A 23 3.905 -2.234 1.937 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.461 -2.675 1.718 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.786 -2.991 0.937 1.00 0.00 C ATOM 0 H LEU A 23 4.288 -0.497 4.177 1.00 0.00 H new ATOM 0 HA LEU A 23 6.137 -0.853 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.156 -0.214 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.988 -0.492 0.650 1.00 0.00 H new ATOM 0 HG LEU A 23 4.231 -2.455 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.382 -3.751 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.811 -2.158 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.157 -2.432 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.695 -4.063 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.465 -2.759 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.825 -2.690 1.067 1.00 0.00 H new ATOM 352 N MET A 24 5.163 2.217 2.444 1.00 0.00 N ATOM 353 CA MET A 24 5.392 3.601 1.964 1.00 0.00 C ATOM 354 C MET A 24 6.853 3.980 2.212 1.00 0.00 C ATOM 355 O MET A 24 7.418 4.808 1.523 1.00 0.00 O ATOM 356 CB MET A 24 4.467 4.531 2.742 1.00 0.00 C ATOM 357 CG MET A 24 4.829 5.999 2.491 1.00 0.00 C ATOM 358 SD MET A 24 4.889 6.314 0.712 1.00 0.00 S ATOM 359 CE MET A 24 5.043 8.113 0.803 1.00 0.00 C ATOM 0 H MET A 24 4.654 2.144 3.325 1.00 0.00 H new ATOM 0 HA MET A 24 5.184 3.682 0.897 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.433 4.352 2.447 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.537 4.312 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.093 6.651 2.961 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.794 6.229 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.361 8.500 -0.165 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.079 8.548 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.781 8.377 1.560 1.00 0.00 H new ATOM 369 N GLN A 25 7.466 3.380 3.189 1.00 0.00 N ATOM 370 CA GLN A 25 8.887 3.702 3.489 1.00 0.00 C ATOM 371 C GLN A 25 9.784 3.108 2.403 1.00 0.00 C ATOM 372 O GLN A 25 10.543 3.814 1.772 1.00 0.00 O ATOM 373 CB GLN A 25 9.259 3.122 4.862 1.00 0.00 C ATOM 374 CG GLN A 25 10.781 3.139 5.066 1.00 0.00 C ATOM 375 CD GLN A 25 11.333 4.526 4.730 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.999 4.702 3.730 1.00 0.00 O ATOM 377 NE2 GLN A 25 11.079 5.525 5.531 1.00 0.00 N ATOM 0 H GLN A 25 7.044 2.677 3.796 1.00 0.00 H new ATOM 0 HA GLN A 25 9.026 4.783 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.775 3.700 5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.888 2.100 4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.022 2.882 6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.251 2.387 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.519 5.376 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.440 6.455 5.317 1.00 0.00 H new ATOM 386 N ALA A 26 9.712 1.820 2.162 1.00 0.00 N ATOM 387 CA ALA A 26 10.584 1.230 1.094 1.00 0.00 C ATOM 388 C ALA A 26 10.191 1.766 -0.281 1.00 0.00 C ATOM 389 O ALA A 26 11.004 1.810 -1.188 1.00 0.00 O ATOM 390 CB ALA A 26 10.448 -0.292 1.103 1.00 0.00 C ATOM 0 H ALA A 26 9.101 1.163 2.647 1.00 0.00 H new ATOM 0 HA ALA A 26 11.618 1.510 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.082 -0.719 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.754 -0.679 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.410 -0.566 0.914 1.00 0.00 H new ATOM 396 N ALA A 27 8.967 2.178 -0.471 1.00 0.00 N ATOM 397 CA ALA A 27 8.550 2.708 -1.797 1.00 0.00 C ATOM 398 C ALA A 27 9.294 4.021 -2.097 1.00 0.00 C ATOM 399 O ALA A 27 10.056 4.117 -3.038 1.00 0.00 O ATOM 400 CB ALA A 27 7.035 2.962 -1.768 1.00 0.00 C ATOM 0 H ALA A 27 8.236 2.169 0.240 1.00 0.00 H new ATOM 0 HA ALA A 27 8.792 1.986 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.713 3.351 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.513 2.028 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.803 3.688 -0.989 1.00 0.00 H new ATOM 406 N VAL A 28 9.063 5.030 -1.305 1.00 0.00 N ATOM 407 CA VAL A 28 9.739 6.341 -1.533 1.00 0.00 C ATOM 408 C VAL A 28 11.232 6.112 -1.767 1.00 0.00 C ATOM 409 O VAL A 28 11.933 6.956 -2.292 1.00 0.00 O ATOM 410 CB VAL A 28 9.536 7.232 -0.305 1.00 0.00 C ATOM 411 CG1 VAL A 28 10.382 8.502 -0.439 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.058 7.611 -0.201 1.00 0.00 C ATOM 0 H VAL A 28 8.432 5.004 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 28 9.311 6.828 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 28 9.843 6.692 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.233 9.132 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.435 8.231 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.080 9.047 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.906 8.246 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.757 8.150 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.457 6.707 -0.102 1.00 0.00 H new ATOM 422 N SER A 29 11.721 4.976 -1.363 1.00 0.00 N ATOM 423 CA SER A 29 13.171 4.663 -1.532 1.00 0.00 C ATOM 424 C SER A 29 13.383 3.972 -2.872 1.00 0.00 C ATOM 425 O SER A 29 14.471 3.959 -3.411 1.00 0.00 O ATOM 426 CB SER A 29 13.581 3.718 -0.393 1.00 0.00 C ATOM 427 OG SER A 29 14.115 2.508 -0.928 1.00 0.00 O ATOM 0 H SER A 29 11.174 4.240 -0.917 1.00 0.00 H new ATOM 0 HA SER A 29 13.770 5.574 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.323 4.202 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.718 3.497 0.235 1.00 0.00 H new ATOM 0 HG SER A 29 13.392 1.979 -1.325 1.00 0.00 H new ATOM 433 N ASN A 30 12.337 3.414 -3.409 1.00 0.00 N ATOM 434 CA ASN A 30 12.433 2.731 -4.722 1.00 0.00 C ATOM 435 C ASN A 30 11.665 3.546 -5.760 1.00 0.00 C ATOM 436 O ASN A 30 11.538 3.148 -6.899 1.00 0.00 O ATOM 437 CB ASN A 30 11.808 1.349 -4.604 1.00 0.00 C ATOM 438 CG ASN A 30 12.758 0.430 -3.834 1.00 0.00 C ATOM 439 OD1 ASN A 30 12.947 0.634 -2.557 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 13.336 -0.476 -4.397 1.00 0.00 N flip ATOM 0 H ASN A 30 11.409 3.403 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 30 13.476 2.639 -5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.849 1.413 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.611 0.940 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.188 -0.634 -5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.970 -1.080 -3.874 1.00 0.00 H new ATOM 447 N GLY A 31 11.202 4.715 -5.399 1.00 0.00 N ATOM 448 CA GLY A 31 10.513 5.568 -6.417 1.00 0.00 C ATOM 449 C GLY A 31 9.182 4.940 -6.831 1.00 0.00 C ATOM 450 O GLY A 31 8.943 4.734 -8.001 1.00 0.00 O ATOM 0 H GLY A 31 11.268 5.112 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.340 6.564 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.152 5.689 -7.292 1.00 0.00 H new ATOM 454 N ILE A 32 8.330 4.591 -5.904 1.00 0.00 N ATOM 455 CA ILE A 32 7.039 3.925 -6.279 1.00 0.00 C ATOM 456 C ILE A 32 5.845 4.830 -6.027 1.00 0.00 C ATOM 457 O ILE A 32 5.104 5.151 -6.935 1.00 0.00 O ATOM 458 CB ILE A 32 6.919 2.634 -5.451 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.102 1.708 -5.836 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.562 1.939 -5.697 1.00 0.00 C ATOM 461 CD1 ILE A 32 7.793 0.252 -5.494 1.00 0.00 C ATOM 0 H ILE A 32 8.468 4.736 -4.904 1.00 0.00 H new ATOM 0 HA ILE A 32 7.043 3.701 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 32 6.962 2.868 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.307 1.799 -6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.003 2.025 -5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.505 1.030 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.752 2.611 -5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.469 1.685 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.639 -0.375 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.613 0.160 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.906 -0.070 -6.040 1.00 0.00 H new ATOM 616 N CYS A 45 -4.510 11.042 5.572 1.00 0.00 N ATOM 617 CA CYS A 45 -5.074 11.516 4.265 1.00 0.00 C ATOM 618 C CYS A 45 -5.540 10.322 3.435 1.00 0.00 C ATOM 619 O CYS A 45 -5.513 9.191 3.878 1.00 0.00 O ATOM 620 CB CYS A 45 -4.012 12.314 3.499 1.00 0.00 C ATOM 621 SG CYS A 45 -2.886 11.203 2.603 1.00 0.00 S ATOM 0 HA CYS A 45 -5.930 12.163 4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.497 12.991 2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.443 12.931 4.195 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.000 11.907 1.963 1.00 0.00 H new ATOM 626 N ALA A 46 -5.972 10.574 2.221 1.00 0.00 N ATOM 627 CA ALA A 46 -6.460 9.478 1.331 1.00 0.00 C ATOM 628 C ALA A 46 -5.706 9.535 -0.001 1.00 0.00 C ATOM 629 O ALA A 46 -6.239 9.215 -1.037 1.00 0.00 O ATOM 630 CB ALA A 46 -7.953 9.685 1.086 1.00 0.00 C ATOM 0 H ALA A 46 -6.006 11.505 1.807 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.290 8.507 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.328 8.894 0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.485 9.658 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.113 10.652 0.609 1.00 0.00 H new ATOM 636 N THR A 47 -4.471 9.948 0.034 1.00 0.00 N ATOM 637 CA THR A 47 -3.659 10.045 -1.207 1.00 0.00 C ATOM 638 C THR A 47 -2.973 8.702 -1.481 1.00 0.00 C ATOM 639 O THR A 47 -2.672 8.362 -2.610 1.00 0.00 O ATOM 640 CB THR A 47 -2.603 11.135 -1.008 1.00 0.00 C ATOM 641 OG1 THR A 47 -3.249 12.362 -0.697 1.00 0.00 O ATOM 642 CG2 THR A 47 -1.769 11.303 -2.269 1.00 0.00 C ATOM 0 H THR A 47 -3.983 10.227 0.885 1.00 0.00 H new ATOM 0 HA THR A 47 -4.297 10.292 -2.055 1.00 0.00 H new ATOM 0 HB THR A 47 -1.944 10.846 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.385 12.424 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.023 12.082 -2.111 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.269 10.363 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.417 11.585 -3.099 1.00 0.00 H new ATOM 650 N CYS A 48 -2.724 7.942 -0.454 1.00 0.00 N ATOM 651 CA CYS A 48 -2.056 6.616 -0.617 1.00 0.00 C ATOM 652 C CYS A 48 -3.085 5.530 -0.976 1.00 0.00 C ATOM 653 O CYS A 48 -3.000 4.414 -0.513 1.00 0.00 O ATOM 654 CB CYS A 48 -1.359 6.253 0.678 1.00 0.00 C ATOM 655 SG CYS A 48 -2.521 6.493 2.043 1.00 0.00 S ATOM 0 H CYS A 48 -2.958 8.185 0.509 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.329 6.680 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.019 5.218 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.475 6.875 0.819 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.887 6.399 3.174 1.00 0.00 H new ATOM 660 N HIS A 49 -4.062 5.863 -1.767 1.00 0.00 N ATOM 661 CA HIS A 49 -5.116 4.873 -2.159 1.00 0.00 C ATOM 662 C HIS A 49 -4.498 3.735 -3.001 1.00 0.00 C ATOM 663 O HIS A 49 -4.104 3.949 -4.136 1.00 0.00 O ATOM 664 CB HIS A 49 -6.157 5.644 -2.988 1.00 0.00 C ATOM 665 CG HIS A 49 -7.085 4.728 -3.737 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.953 3.830 -3.128 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.306 4.596 -5.078 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.645 3.204 -4.106 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.279 3.636 -5.305 1.00 0.00 N ATOM 0 H HIS A 49 -4.182 6.793 -2.168 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.572 4.418 -1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.740 6.287 -2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.644 6.295 -3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.797 5.157 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.398 2.450 -3.933 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.639 3.326 -6.208 1.00 0.00 H new ATOM 678 N VAL A 50 -4.432 2.518 -2.483 1.00 0.00 N ATOM 679 CA VAL A 50 -3.865 1.374 -3.288 1.00 0.00 C ATOM 680 C VAL A 50 -4.737 0.145 -3.048 1.00 0.00 C ATOM 681 O VAL A 50 -5.657 0.176 -2.255 1.00 0.00 O ATOM 682 CB VAL A 50 -2.392 1.064 -2.886 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.724 2.318 -2.329 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.315 -0.050 -1.823 1.00 0.00 C ATOM 0 H VAL A 50 -4.744 2.271 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.863 1.648 -4.343 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.875 0.728 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.695 2.089 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.730 3.101 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.269 2.661 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.272 -0.238 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.856 0.261 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.762 -0.962 -2.219 1.00 0.00 H new ATOM 694 N TYR A 51 -4.454 -0.937 -3.721 1.00 0.00 N ATOM 695 CA TYR A 51 -5.252 -2.177 -3.549 1.00 0.00 C ATOM 696 C TYR A 51 -4.313 -3.335 -3.166 1.00 0.00 C ATOM 697 O TYR A 51 -3.503 -3.795 -3.946 1.00 0.00 O ATOM 698 CB TYR A 51 -5.937 -2.455 -4.879 1.00 0.00 C ATOM 699 CG TYR A 51 -6.968 -1.377 -5.151 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.229 -1.395 -4.522 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.656 -0.346 -6.041 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.157 -0.385 -4.806 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.586 0.649 -6.309 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.827 0.633 -5.708 1.00 0.00 C ATOM 705 OH TYR A 51 -9.727 1.622 -6.012 1.00 0.00 O ATOM 0 H TYR A 51 -3.690 -1.012 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.995 -2.071 -2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.200 -2.479 -5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.416 -3.434 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.478 -2.182 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.689 -0.323 -6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.126 -0.392 -4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.335 1.444 -6.995 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.637 1.298 -5.847 1.00 0.00 H new ATOM 715 N VAL A 52 -4.452 -3.801 -1.958 1.00 0.00 N ATOM 716 CA VAL A 52 -3.611 -4.940 -1.471 1.00 0.00 C ATOM 717 C VAL A 52 -4.312 -6.247 -1.810 1.00 0.00 C ATOM 718 O VAL A 52 -5.492 -6.408 -1.566 1.00 0.00 O ATOM 719 CB VAL A 52 -3.423 -4.881 0.048 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.627 -6.109 0.503 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.657 -3.612 0.441 1.00 0.00 C ATOM 0 H VAL A 52 -5.119 -3.440 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.635 -4.875 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.402 -4.868 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.489 -6.073 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.171 -7.015 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.653 -6.113 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.531 -3.584 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.678 -3.615 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.217 -2.734 0.118 1.00 0.00 H new ATOM 731 N ASN A 53 -3.601 -7.196 -2.351 1.00 0.00 N ATOM 732 CA ASN A 53 -4.252 -8.492 -2.670 1.00 0.00 C ATOM 733 C ASN A 53 -4.950 -8.996 -1.398 1.00 0.00 C ATOM 734 O ASN A 53 -4.337 -9.148 -0.363 1.00 0.00 O ATOM 735 CB ASN A 53 -3.182 -9.481 -3.176 1.00 0.00 C ATOM 736 CG ASN A 53 -3.542 -10.928 -2.825 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.699 -11.297 -2.821 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.584 -11.762 -2.534 1.00 0.00 N ATOM 0 H ASN A 53 -2.610 -7.131 -2.583 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.998 -8.386 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.077 -9.383 -4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.216 -9.229 -2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.804 -12.730 -2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.614 -11.446 -2.539 1.00 0.00 H new ATOM 745 N GLU A 54 -6.237 -9.206 -1.471 1.00 0.00 N ATOM 746 CA GLU A 54 -7.014 -9.655 -0.275 1.00 0.00 C ATOM 747 C GLU A 54 -6.346 -10.852 0.417 1.00 0.00 C ATOM 748 O GLU A 54 -6.857 -11.353 1.403 1.00 0.00 O ATOM 749 CB GLU A 54 -8.424 -10.060 -0.720 1.00 0.00 C ATOM 750 CG GLU A 54 -8.334 -10.919 -1.978 1.00 0.00 C ATOM 751 CD GLU A 54 -9.701 -11.540 -2.270 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.512 -10.872 -2.895 1.00 0.00 O ATOM 753 OE2 GLU A 54 -9.916 -12.671 -1.867 1.00 0.00 O ATOM 0 H GLU A 54 -6.791 -9.084 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.053 -8.829 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.923 -10.613 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.024 -9.171 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.010 -10.312 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.588 -11.702 -1.844 1.00 0.00 H new ATOM 760 N ALA A 55 -5.230 -11.333 -0.059 1.00 0.00 N ATOM 761 CA ALA A 55 -4.585 -12.507 0.598 1.00 0.00 C ATOM 762 C ALA A 55 -3.646 -12.058 1.731 1.00 0.00 C ATOM 763 O ALA A 55 -3.273 -12.855 2.559 1.00 0.00 O ATOM 764 CB ALA A 55 -3.789 -13.312 -0.434 1.00 0.00 C ATOM 0 H ALA A 55 -4.737 -10.965 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.371 -13.131 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.321 -14.167 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.460 -13.664 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.018 -12.679 -0.874 1.00 0.00 H new ATOM 770 N PHE A 56 -3.248 -10.810 1.781 1.00 0.00 N ATOM 771 CA PHE A 56 -2.324 -10.340 2.866 1.00 0.00 C ATOM 772 C PHE A 56 -3.072 -9.312 3.718 1.00 0.00 C ATOM 773 O PHE A 56 -2.608 -8.869 4.747 1.00 0.00 O ATOM 774 CB PHE A 56 -1.123 -9.685 2.177 1.00 0.00 C ATOM 775 CG PHE A 56 -0.316 -10.764 1.495 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.665 -11.206 0.215 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.770 -11.336 2.149 1.00 0.00 C ATOM 778 CE1 PHE A 56 0.077 -12.225 -0.396 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.514 -12.344 1.551 1.00 0.00 C ATOM 780 CZ PHE A 56 1.169 -12.795 0.272 1.00 0.00 C ATOM 0 H PHE A 56 -3.524 -10.090 1.113 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.991 -11.157 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.460 -8.947 1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.509 -9.157 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.504 -10.763 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.038 -10.991 3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.193 -12.572 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.355 -12.778 2.071 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.742 -13.580 -0.199 1.00 0.00 H new ATOM 790 N THR A 57 -4.243 -8.945 3.277 1.00 0.00 N ATOM 791 CA THR A 57 -5.067 -7.950 4.028 1.00 0.00 C ATOM 792 C THR A 57 -5.578 -8.553 5.330 1.00 0.00 C ATOM 793 O THR A 57 -5.633 -7.893 6.350 1.00 0.00 O ATOM 794 CB THR A 57 -6.286 -7.563 3.181 1.00 0.00 C ATOM 795 OG1 THR A 57 -6.944 -8.742 2.745 1.00 0.00 O ATOM 796 CG2 THR A 57 -5.850 -6.743 1.980 1.00 0.00 C ATOM 0 H THR A 57 -4.671 -9.294 2.419 1.00 0.00 H new ATOM 0 HA THR A 57 -4.445 -7.081 4.243 1.00 0.00 H new ATOM 0 HB THR A 57 -6.968 -6.964 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.866 -8.527 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.724 -6.474 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.350 -5.836 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.163 -7.329 1.370 1.00 0.00 H new ATOM 804 N ASP A 58 -5.978 -9.794 5.306 1.00 0.00 N ATOM 805 CA ASP A 58 -6.517 -10.429 6.541 1.00 0.00 C ATOM 806 C ASP A 58 -5.383 -11.033 7.359 1.00 0.00 C ATOM 807 O ASP A 58 -5.602 -11.636 8.391 1.00 0.00 O ATOM 808 CB ASP A 58 -7.510 -11.525 6.155 1.00 0.00 C ATOM 809 CG ASP A 58 -6.770 -12.639 5.415 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.183 -12.350 4.388 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.802 -13.762 5.885 1.00 0.00 O ATOM 0 H ASP A 58 -5.955 -10.397 4.483 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.020 -9.671 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.994 -11.924 7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.297 -11.113 5.523 1.00 0.00 H new ATOM 816 N LYS A 59 -4.172 -10.869 6.907 1.00 0.00 N ATOM 817 CA LYS A 59 -3.003 -11.420 7.646 1.00 0.00 C ATOM 818 C LYS A 59 -2.254 -10.256 8.300 1.00 0.00 C ATOM 819 O LYS A 59 -1.878 -10.303 9.456 1.00 0.00 O ATOM 820 CB LYS A 59 -2.103 -12.156 6.654 1.00 0.00 C ATOM 821 CG LYS A 59 -2.984 -12.896 5.636 1.00 0.00 C ATOM 822 CD LYS A 59 -2.144 -13.886 4.798 1.00 0.00 C ATOM 823 CE LYS A 59 -1.417 -14.899 5.698 1.00 0.00 C ATOM 824 NZ LYS A 59 -1.261 -16.184 4.964 1.00 0.00 N ATOM 0 H LYS A 59 -3.940 -10.371 6.048 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.319 -12.119 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.449 -11.450 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.461 -12.862 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.775 -13.435 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.469 -12.176 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.792 -14.416 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.415 -13.336 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.440 -14.511 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.982 -15.058 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.770 -16.872 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.199 -16.554 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.705 -16.025 4.099 1.00 0.00 H new ATOM 838 N VAL A 60 -2.050 -9.207 7.554 1.00 0.00 N ATOM 839 CA VAL A 60 -1.339 -8.022 8.110 1.00 0.00 C ATOM 840 C VAL A 60 -2.292 -7.401 9.155 1.00 0.00 C ATOM 841 O VAL A 60 -3.457 -7.739 9.185 1.00 0.00 O ATOM 842 CB VAL A 60 -0.965 -7.082 6.916 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.900 -5.855 6.825 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.542 -6.647 6.949 1.00 0.00 C ATOM 0 H VAL A 60 -2.345 -9.119 6.582 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.400 -8.249 8.615 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.111 -7.670 6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.602 -5.232 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.927 -6.190 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.831 -5.276 7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.751 -5.996 6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.746 -6.111 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.177 -7.531 6.894 1.00 0.00 H new ATOM 854 N PRO A 61 -1.816 -6.562 10.038 1.00 0.00 N ATOM 855 CA PRO A 61 -2.681 -6.001 11.115 1.00 0.00 C ATOM 856 C PRO A 61 -3.885 -5.223 10.572 1.00 0.00 C ATOM 857 O PRO A 61 -3.746 -4.201 9.925 1.00 0.00 O ATOM 858 CB PRO A 61 -1.749 -5.106 11.964 1.00 0.00 C ATOM 859 CG PRO A 61 -0.463 -4.967 11.185 1.00 0.00 C ATOM 860 CD PRO A 61 -0.440 -6.057 10.102 1.00 0.00 C ATOM 0 HA PRO A 61 -3.128 -6.799 11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.203 -4.131 12.141 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.565 -5.554 12.941 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.398 -3.978 10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.396 -5.071 11.848 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.124 -5.651 9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.260 -6.852 10.358 1.00 0.00 H new ATOM 868 N ALA A 62 -5.069 -5.726 10.830 1.00 0.00 N ATOM 869 CA ALA A 62 -6.311 -5.080 10.368 1.00 0.00 C ATOM 870 C ALA A 62 -6.197 -3.573 10.501 1.00 0.00 C ATOM 871 O ALA A 62 -5.709 -3.039 11.484 1.00 0.00 O ATOM 872 CB ALA A 62 -7.492 -5.594 11.190 1.00 0.00 C ATOM 0 H ALA A 62 -5.216 -6.585 11.359 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.473 -5.325 9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.409 -5.116 10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.578 -6.674 11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.332 -5.360 12.242 1.00 0.00 H new ATOM 878 N ALA A 63 -6.627 -2.914 9.498 1.00 0.00 N ATOM 879 CA ALA A 63 -6.560 -1.429 9.457 1.00 0.00 C ATOM 880 C ALA A 63 -7.412 -0.785 10.571 1.00 0.00 C ATOM 881 O ALA A 63 -8.436 -1.297 10.978 1.00 0.00 O ATOM 882 CB ALA A 63 -7.056 -0.952 8.097 1.00 0.00 C ATOM 0 H ALA A 63 -7.039 -3.341 8.669 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.525 -1.128 9.617 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.012 0.136 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.426 -1.372 7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.085 -1.279 7.950 1.00 0.00 H new ATOM 888 N ASN A 64 -6.950 0.337 11.064 1.00 0.00 N ATOM 889 CA ASN A 64 -7.673 1.049 12.162 1.00 0.00 C ATOM 890 C ASN A 64 -8.782 1.940 11.578 1.00 0.00 C ATOM 891 O ASN A 64 -8.802 2.254 10.406 1.00 0.00 O ATOM 892 CB ASN A 64 -6.684 1.900 12.983 1.00 0.00 C ATOM 893 CG ASN A 64 -5.517 2.335 12.093 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.676 1.535 11.741 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.430 3.582 11.722 1.00 0.00 N ATOM 0 H ASN A 64 -6.094 0.794 10.749 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.129 0.309 12.819 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.191 2.776 13.388 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.313 1.326 13.832 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.654 3.886 11.135 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.138 4.253 12.019 1.00 0.00 H new ATOM 902 N GLU A 65 -9.720 2.305 12.410 1.00 0.00 N ATOM 903 CA GLU A 65 -10.887 3.137 11.969 1.00 0.00 C ATOM 904 C GLU A 65 -10.456 4.441 11.290 1.00 0.00 C ATOM 905 O GLU A 65 -11.261 5.101 10.668 1.00 0.00 O ATOM 906 CB GLU A 65 -11.743 3.475 13.200 1.00 0.00 C ATOM 907 CG GLU A 65 -10.940 4.353 14.157 1.00 0.00 C ATOM 908 CD GLU A 65 -11.674 4.447 15.497 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.719 5.074 15.539 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.176 3.890 16.466 1.00 0.00 O ATOM 0 H GLU A 65 -9.730 2.058 13.400 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.451 2.558 11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.652 3.992 12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.052 2.559 13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.944 3.934 14.304 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.808 5.348 13.731 1.00 0.00 H new ATOM 917 N ARG A 66 -9.221 4.837 11.389 1.00 0.00 N ATOM 918 CA ARG A 66 -8.806 6.105 10.733 1.00 0.00 C ATOM 919 C ARG A 66 -8.636 5.856 9.239 1.00 0.00 C ATOM 920 O ARG A 66 -8.886 6.715 8.419 1.00 0.00 O ATOM 921 CB ARG A 66 -7.481 6.572 11.347 1.00 0.00 C ATOM 922 CG ARG A 66 -7.611 6.664 12.878 1.00 0.00 C ATOM 923 CD ARG A 66 -8.405 7.926 13.295 1.00 0.00 C ATOM 924 NE ARG A 66 -7.493 8.856 14.017 1.00 0.00 N ATOM 925 CZ ARG A 66 -7.979 9.778 14.816 1.00 0.00 C ATOM 926 NH1 ARG A 66 -9.250 9.787 15.111 1.00 0.00 N ATOM 927 NH2 ARG A 66 -7.183 10.670 15.333 1.00 0.00 N ATOM 0 H ARG A 66 -8.485 4.342 11.892 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.561 6.877 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.684 5.877 11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.205 7.544 10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.112 5.773 13.258 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.619 6.689 13.329 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.823 8.416 12.415 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.243 7.649 13.934 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.484 8.776 13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.869 9.077 14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.624 10.504 15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.186 10.651 15.117 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.556 11.388 15.954 1.00 0.00 H new ATOM 941 N GLU A 67 -8.230 4.672 8.878 1.00 0.00 N ATOM 942 CA GLU A 67 -8.052 4.322 7.442 1.00 0.00 C ATOM 943 C GLU A 67 -9.423 4.223 6.775 1.00 0.00 C ATOM 944 O GLU A 67 -9.632 4.700 5.673 1.00 0.00 O ATOM 945 CB GLU A 67 -7.374 2.952 7.377 1.00 0.00 C ATOM 946 CG GLU A 67 -7.056 2.553 5.917 1.00 0.00 C ATOM 947 CD GLU A 67 -7.212 1.036 5.750 1.00 0.00 C ATOM 948 OE1 GLU A 67 -8.334 0.562 5.823 1.00 0.00 O ATOM 949 OE2 GLU A 67 -6.208 0.372 5.570 1.00 0.00 O ATOM 0 H GLU A 67 -8.010 3.919 9.529 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.453 5.079 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.453 2.971 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.022 2.201 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.726 3.075 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.040 2.854 5.660 1.00 0.00 H new ATOM 956 N ILE A 68 -10.353 3.591 7.431 1.00 0.00 N ATOM 957 CA ILE A 68 -11.713 3.430 6.847 1.00 0.00 C ATOM 958 C ILE A 68 -12.264 4.805 6.451 1.00 0.00 C ATOM 959 O ILE A 68 -12.857 4.965 5.404 1.00 0.00 O ATOM 960 CB ILE A 68 -12.623 2.765 7.899 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.351 1.251 7.950 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.099 2.988 7.547 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.850 0.974 8.080 1.00 0.00 C ATOM 0 H ILE A 68 -10.229 3.175 8.354 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.674 2.804 5.956 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.407 3.214 8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.882 0.809 8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.736 0.777 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.728 2.512 8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.309 4.057 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.310 2.553 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.680 -0.102 8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.326 1.397 7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.474 1.430 8.996 1.00 0.00 H new ATOM 975 N GLY A 69 -12.086 5.792 7.284 1.00 0.00 N ATOM 976 CA GLY A 69 -12.616 7.147 6.948 1.00 0.00 C ATOM 977 C GLY A 69 -11.765 7.789 5.851 1.00 0.00 C ATOM 978 O GLY A 69 -12.259 8.553 5.041 1.00 0.00 O ATOM 0 H GLY A 69 -11.600 5.722 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.651 7.069 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.613 7.778 7.837 1.00 0.00 H new ATOM 982 N MET A 70 -10.497 7.480 5.796 1.00 0.00 N ATOM 983 CA MET A 70 -9.642 8.069 4.727 1.00 0.00 C ATOM 984 C MET A 70 -9.889 7.288 3.439 1.00 0.00 C ATOM 985 O MET A 70 -9.726 7.793 2.348 1.00 0.00 O ATOM 986 CB MET A 70 -8.168 7.949 5.126 1.00 0.00 C ATOM 987 CG MET A 70 -7.832 9.015 6.174 1.00 0.00 C ATOM 988 SD MET A 70 -6.073 8.909 6.602 1.00 0.00 S ATOM 989 CE MET A 70 -6.241 7.964 8.137 1.00 0.00 C ATOM 0 H MET A 70 -10.020 6.850 6.440 1.00 0.00 H new ATOM 0 HA MET A 70 -9.884 9.122 4.584 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.969 6.955 5.527 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.532 8.073 4.249 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.064 10.007 5.786 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.443 8.870 7.065 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.322 8.045 8.717 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.073 8.360 8.719 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.430 6.917 7.901 1.00 0.00 H new ATOM 999 N LEU A 71 -10.296 6.056 3.572 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.575 5.225 2.365 1.00 0.00 C ATOM 1001 C LEU A 71 -11.839 5.753 1.686 1.00 0.00 C ATOM 1002 O LEU A 71 -12.006 5.631 0.494 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.786 3.764 2.808 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.450 2.994 2.777 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.578 1.739 3.646 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.101 2.576 1.344 1.00 0.00 C ATOM 0 H LEU A 71 -10.448 5.587 4.465 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.741 5.274 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.204 3.739 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.508 3.279 2.151 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.660 3.642 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.638 1.188 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.812 2.028 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.376 1.107 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.155 2.034 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.888 1.933 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.011 3.464 0.718 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.730 6.345 2.425 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.974 6.882 1.815 1.00 0.00 C ATOM 1020 C GLU A 72 -13.663 8.257 1.217 1.00 0.00 C ATOM 1021 O GLU A 72 -14.434 8.822 0.471 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.042 7.002 2.911 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.272 7.747 2.383 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.761 7.092 1.085 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.510 6.133 1.177 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.380 7.561 0.025 1.00 0.00 O ATOM 0 H GLU A 72 -12.650 6.481 3.433 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.343 6.224 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.331 6.009 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.631 7.531 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.066 7.732 3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.025 8.793 2.202 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.525 8.796 1.568 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.127 10.142 1.050 1.00 0.00 C ATOM 1035 C CYS A 73 -11.215 9.985 -0.175 1.00 0.00 C ATOM 1036 O CYS A 73 -10.631 10.943 -0.643 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.395 10.903 2.183 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.297 12.420 2.607 1.00 0.00 S ATOM 0 H CYS A 73 -11.849 8.360 2.195 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.009 10.704 0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.309 10.265 3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.381 11.150 1.868 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.671 13.045 3.560 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.082 8.796 -0.701 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.210 8.588 -1.904 1.00 0.00 C ATOM 1046 C VAL A 74 -10.939 9.042 -3.165 1.00 0.00 C ATOM 1047 O VAL A 74 -12.122 9.320 -3.147 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.918 7.098 -2.017 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.223 6.616 -0.737 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.248 6.339 -2.224 1.00 0.00 C ATOM 0 H VAL A 74 -11.540 7.954 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.290 9.163 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.261 6.908 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.013 5.549 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.288 7.161 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.873 6.795 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.048 5.271 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.907 6.521 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.729 6.689 -3.137 1.00 0.00 H new ATOM 1060 N THR A 75 -10.235 9.142 -4.270 1.00 0.00 N ATOM 1061 CA THR A 75 -10.875 9.606 -5.542 1.00 0.00 C ATOM 1062 C THR A 75 -11.195 8.437 -6.485 1.00 0.00 C ATOM 1063 O THR A 75 -11.903 8.622 -7.460 1.00 0.00 O ATOM 1064 CB THR A 75 -9.913 10.564 -6.260 1.00 0.00 C ATOM 1065 OG1 THR A 75 -9.335 11.441 -5.304 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.674 11.379 -7.307 1.00 0.00 C ATOM 0 H THR A 75 -9.242 8.921 -4.344 1.00 0.00 H new ATOM 0 HA THR A 75 -11.811 10.101 -5.285 1.00 0.00 H new ATOM 0 HB THR A 75 -9.131 9.990 -6.757 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.967 12.161 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.985 12.056 -7.812 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.122 10.705 -8.038 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.458 11.957 -6.818 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.689 7.244 -6.249 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.984 6.103 -7.192 1.00 0.00 C ATOM 1076 C ALA A 76 -12.045 5.170 -6.567 1.00 0.00 C ATOM 1077 O ALA A 76 -12.565 5.432 -5.499 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.668 5.336 -7.449 1.00 0.00 C ATOM 0 H ALA A 76 -10.092 7.010 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.378 6.480 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.858 4.506 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.935 6.009 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.281 4.951 -6.506 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.396 4.103 -7.245 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.453 3.159 -6.746 1.00 0.00 C ATOM 1086 C GLU A 77 -12.928 2.297 -5.590 1.00 0.00 C ATOM 1087 O GLU A 77 -11.914 1.657 -5.695 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.868 2.276 -7.958 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.760 0.763 -7.683 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.278 -0.012 -8.900 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -13.813 0.261 -9.991 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.127 -0.869 -8.710 1.00 0.00 O ATOM 0 H GLU A 77 -11.987 3.840 -8.142 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.308 3.709 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.895 2.514 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.240 2.528 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.724 0.492 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.339 0.501 -6.797 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.620 2.265 -4.490 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.131 1.428 -3.353 1.00 0.00 C ATOM 1101 C LEU A 78 -13.453 -0.037 -3.587 1.00 0.00 C ATOM 1102 O LEU A 78 -14.318 -0.407 -4.349 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.728 1.910 -2.019 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.644 1.807 -0.926 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.530 2.843 -1.189 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.259 2.006 0.461 1.00 0.00 C ATOM 0 H LEU A 78 -14.490 2.771 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.048 1.535 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.076 2.939 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.593 1.304 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.204 0.810 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.769 2.764 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.078 2.652 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.956 3.846 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.479 1.930 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.723 2.991 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.013 1.239 0.638 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.702 -0.862 -2.923 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.838 -2.329 -3.051 1.00 0.00 C ATOM 1120 C LYS A 79 -13.135 -2.912 -1.665 1.00 0.00 C ATOM 1121 O LYS A 79 -12.825 -2.305 -0.663 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.479 -2.838 -3.535 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.352 -2.696 -5.055 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.086 -3.839 -5.767 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.702 -3.849 -7.247 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.265 -5.067 -7.890 1.00 0.00 N ATOM 0 H LYS A 79 -11.973 -0.566 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.637 -2.612 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.681 -2.279 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.356 -3.883 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.765 -1.738 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.300 -2.699 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.828 -4.793 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.164 -3.715 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.082 -2.954 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.617 -3.835 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.007 -5.079 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.882 -5.914 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.301 -5.061 -7.798 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.698 -4.090 -1.602 1.00 0.00 N ATOM 1141 CA PRO A 80 -13.987 -4.738 -0.299 1.00 0.00 C ATOM 1142 C PRO A 80 -12.698 -4.834 0.520 1.00 0.00 C ATOM 1143 O PRO A 80 -12.695 -4.657 1.717 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.530 -6.137 -0.673 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.178 -6.325 -2.122 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.119 -4.927 -2.735 1.00 0.00 C ATOM 0 HA PRO A 80 -14.702 -4.185 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.078 -6.913 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.608 -6.195 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.221 -6.836 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.924 -6.939 -2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.409 -4.877 -3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.087 -4.617 -3.129 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.599 -5.106 -0.142 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.277 -5.217 0.545 1.00 0.00 C ATOM 1156 C ASN A 81 -9.347 -4.071 0.104 1.00 0.00 C ATOM 1157 O ASN A 81 -8.146 -4.243 0.002 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.646 -6.593 0.223 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.780 -6.525 -1.044 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.780 -7.204 -1.148 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.120 -5.721 -2.012 1.00 0.00 N ATOM 0 H ASN A 81 -11.564 -5.258 -1.150 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.420 -5.137 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.038 -6.923 1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.434 -7.335 0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.546 -5.664 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.960 -5.149 -1.928 1.00 0.00 H new ATOM 1168 N SER A 82 -9.870 -2.894 -0.130 1.00 0.00 N ATOM 1169 CA SER A 82 -9.011 -1.749 -0.525 1.00 0.00 C ATOM 1170 C SER A 82 -8.108 -1.387 0.641 1.00 0.00 C ATOM 1171 O SER A 82 -8.469 -1.574 1.786 1.00 0.00 O ATOM 1172 CB SER A 82 -9.916 -0.573 -0.872 1.00 0.00 C ATOM 1173 OG SER A 82 -9.644 -0.156 -2.191 1.00 0.00 O ATOM 0 H SER A 82 -10.865 -2.681 -0.062 1.00 0.00 H new ATOM 0 HA SER A 82 -8.394 -2.004 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.962 -0.863 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.749 0.249 -0.176 1.00 0.00 H new ATOM 0 HG SER A 82 -9.190 -0.877 -2.675 1.00 0.00 H new ATOM 1179 N ARG A 83 -6.925 -0.918 0.376 1.00 0.00 N ATOM 1180 CA ARG A 83 -5.985 -0.609 1.489 1.00 0.00 C ATOM 1181 C ARG A 83 -5.081 0.581 1.141 1.00 0.00 C ATOM 1182 O ARG A 83 -5.286 1.280 0.169 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.138 -1.878 1.730 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.711 -2.735 2.889 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.040 -2.368 4.225 1.00 0.00 C ATOM 1186 NE ARG A 83 -5.999 -2.611 5.345 1.00 0.00 N ATOM 1187 CZ ARG A 83 -6.046 -3.770 5.955 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.301 -4.760 5.551 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -6.860 -3.940 6.959 1.00 0.00 N ATOM 0 H ARG A 83 -6.566 -0.735 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.540 -0.331 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.106 -2.474 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.112 -1.593 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.787 -2.581 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.554 -3.793 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.139 -2.964 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.733 -1.322 4.215 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.627 -1.863 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.676 -4.636 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.343 -5.659 6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.457 -3.173 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.900 -4.840 7.437 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.077 0.807 1.959 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.135 1.944 1.726 1.00 0.00 C ATOM 1205 C LEU A 84 -1.699 1.497 2.019 1.00 0.00 C ATOM 1206 O LEU A 84 -1.460 0.362 2.376 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.519 3.129 2.613 1.00 0.00 C ATOM 1208 CG LEU A 84 -3.220 2.849 4.098 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -3.712 4.035 4.948 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -3.932 1.564 4.548 1.00 0.00 C ATOM 0 H LEU A 84 -3.871 0.245 2.785 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.198 2.256 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.972 4.016 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.580 3.347 2.490 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.145 2.722 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.502 3.841 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.197 4.944 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.786 4.161 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.713 1.376 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.008 1.679 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.580 0.724 3.949 1.00 0.00 H new ATOM 1222 N CYS A 85 -0.732 2.365 1.819 1.00 0.00 N ATOM 1223 CA CYS A 85 0.704 1.969 2.025 1.00 0.00 C ATOM 1224 C CYS A 85 1.335 2.612 3.279 1.00 0.00 C ATOM 1225 O CYS A 85 2.330 2.128 3.773 1.00 0.00 O ATOM 1226 CB CYS A 85 1.504 2.402 0.797 1.00 0.00 C ATOM 1227 SG CYS A 85 1.451 4.206 0.652 1.00 0.00 S ATOM 0 H CYS A 85 -0.874 3.330 1.522 1.00 0.00 H new ATOM 0 HA CYS A 85 0.730 0.889 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.536 2.063 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.091 1.941 -0.101 1.00 0.00 H new ATOM 0 HG CYS A 85 2.133 4.578 -0.391 1.00 0.00 H new ATOM 1233 N CYS A 86 0.825 3.714 3.767 1.00 0.00 N ATOM 1234 CA CYS A 86 1.487 4.368 4.946 1.00 0.00 C ATOM 1235 C CYS A 86 0.963 3.813 6.273 1.00 0.00 C ATOM 1236 O CYS A 86 1.227 4.376 7.317 1.00 0.00 O ATOM 1237 CB CYS A 86 1.233 5.874 4.914 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.503 6.194 5.295 1.00 0.00 S ATOM 0 H CYS A 86 -0.006 4.186 3.411 1.00 0.00 H new ATOM 0 HA CYS A 86 2.554 4.157 4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.875 6.378 5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.482 6.276 3.932 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.724 7.475 5.271 1.00 0.00 H new ATOM 1243 N GLN A 87 0.231 2.727 6.266 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.291 2.164 7.561 1.00 0.00 C ATOM 1245 C GLN A 87 -0.164 0.630 7.571 1.00 0.00 C ATOM 1246 O GLN A 87 -0.775 -0.048 8.375 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.763 2.577 7.726 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.143 2.598 9.212 1.00 0.00 C ATOM 1249 CD GLN A 87 -3.606 3.022 9.351 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -3.907 4.197 9.412 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -4.533 2.107 9.406 1.00 0.00 N ATOM 0 H GLN A 87 -0.029 2.205 5.429 1.00 0.00 H new ATOM 0 HA GLN A 87 0.296 2.558 8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.923 3.562 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.406 1.881 7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.994 1.612 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.498 3.289 9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.279 1.120 9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.512 2.378 9.500 1.00 0.00 H new ATOM 1260 N ILE A 88 0.622 0.090 6.670 1.00 0.00 N ATOM 1261 CA ILE A 88 0.801 -1.405 6.597 1.00 0.00 C ATOM 1262 C ILE A 88 2.246 -1.795 6.910 1.00 0.00 C ATOM 1263 O ILE A 88 3.173 -1.296 6.322 1.00 0.00 O ATOM 1264 CB ILE A 88 0.408 -1.894 5.210 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.004 -1.388 4.921 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.423 -3.423 5.189 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -1.524 -1.990 3.625 1.00 0.00 C ATOM 0 H ILE A 88 1.152 0.619 5.977 1.00 0.00 H new ATOM 0 HA ILE A 88 0.158 -1.875 7.341 1.00 0.00 H new ATOM 0 HB ILE A 88 1.105 -1.525 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.668 -1.651 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.001 -0.300 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.142 -3.776 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.424 -3.780 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.286 -3.804 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.531 -1.621 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.868 -1.705 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.546 -3.076 3.711 1.00 0.00 H new ATOM 1279 N ILE A 89 2.421 -2.695 7.848 1.00 0.00 N ATOM 1280 CA ILE A 89 3.790 -3.152 8.250 1.00 0.00 C ATOM 1281 C ILE A 89 4.121 -4.476 7.553 1.00 0.00 C ATOM 1282 O ILE A 89 3.449 -5.474 7.734 1.00 0.00 O ATOM 1283 CB ILE A 89 3.811 -3.339 9.789 1.00 0.00 C ATOM 1284 CG1 ILE A 89 4.305 -2.051 10.470 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.730 -4.507 10.208 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.475 -0.850 9.999 1.00 0.00 C ATOM 0 H ILE A 89 1.660 -3.140 8.361 1.00 0.00 H new ATOM 0 HA ILE A 89 4.535 -2.412 7.957 1.00 0.00 H new ATOM 0 HB ILE A 89 2.792 -3.566 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.230 -2.152 11.553 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.357 -1.889 10.237 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.719 -4.607 11.293 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.373 -5.432 9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.748 -4.308 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.835 0.055 10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.572 -0.742 8.919 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.427 -1.009 10.255 1.00 0.00 H new ATOM 1298 N MET A 90 5.152 -4.484 6.768 1.00 0.00 N ATOM 1299 CA MET A 90 5.530 -5.727 6.062 1.00 0.00 C ATOM 1300 C MET A 90 6.135 -6.717 7.056 1.00 0.00 C ATOM 1301 O MET A 90 6.656 -6.344 8.082 1.00 0.00 O ATOM 1302 CB MET A 90 6.548 -5.404 4.961 1.00 0.00 C ATOM 1303 CG MET A 90 6.419 -6.433 3.847 1.00 0.00 C ATOM 1304 SD MET A 90 4.851 -6.147 2.986 1.00 0.00 S ATOM 1305 CE MET A 90 4.057 -7.749 3.307 1.00 0.00 C ATOM 0 H MET A 90 5.752 -3.679 6.584 1.00 0.00 H new ATOM 0 HA MET A 90 4.644 -6.172 5.610 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.373 -4.402 4.569 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.559 -5.415 5.368 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.255 -6.347 3.152 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.448 -7.442 4.257 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.991 -7.677 3.090 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.506 -8.512 2.670 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.197 -8.021 4.353 1.00 0.00 H new ATOM 1315 N THR A 91 6.083 -7.978 6.736 1.00 0.00 N ATOM 1316 CA THR A 91 6.667 -9.018 7.627 1.00 0.00 C ATOM 1317 C THR A 91 7.044 -10.224 6.755 1.00 0.00 C ATOM 1318 O THR A 91 6.444 -10.457 5.721 1.00 0.00 O ATOM 1319 CB THR A 91 5.639 -9.441 8.691 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.339 -9.415 8.123 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.683 -8.492 9.885 1.00 0.00 C ATOM 0 H THR A 91 5.655 -8.338 5.883 1.00 0.00 H new ATOM 0 HA THR A 91 7.546 -8.628 8.140 1.00 0.00 H new ATOM 0 HB THR A 91 5.880 -10.448 9.031 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.682 -9.686 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.949 -8.807 10.627 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.679 -8.511 10.328 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.452 -7.479 9.554 1.00 0.00 H new ATOM 1329 N PRO A 92 8.044 -10.972 7.148 1.00 0.00 N ATOM 1330 CA PRO A 92 8.512 -12.153 6.358 1.00 0.00 C ATOM 1331 C PRO A 92 7.388 -13.172 6.086 1.00 0.00 C ATOM 1332 O PRO A 92 7.252 -13.673 4.992 1.00 0.00 O ATOM 1333 CB PRO A 92 9.641 -12.762 7.222 1.00 0.00 C ATOM 1334 CG PRO A 92 9.527 -12.122 8.580 1.00 0.00 C ATOM 1335 CD PRO A 92 8.833 -10.779 8.370 1.00 0.00 C ATOM 0 HA PRO A 92 8.853 -11.863 5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.536 -13.845 7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.618 -12.565 6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.954 -12.753 9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.511 -11.984 9.028 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.198 -10.521 9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.555 -9.971 8.255 1.00 0.00 H new ATOM 1343 N GLU A 93 6.583 -13.475 7.066 1.00 0.00 N ATOM 1344 CA GLU A 93 5.478 -14.457 6.836 1.00 0.00 C ATOM 1345 C GLU A 93 4.560 -13.907 5.736 1.00 0.00 C ATOM 1346 O GLU A 93 3.958 -14.644 4.979 1.00 0.00 O ATOM 1347 CB GLU A 93 4.678 -14.679 8.140 1.00 0.00 C ATOM 1348 CG GLU A 93 4.828 -13.462 9.063 1.00 0.00 C ATOM 1349 CD GLU A 93 6.137 -13.566 9.856 1.00 0.00 C ATOM 1350 OE1 GLU A 93 6.972 -14.372 9.480 1.00 0.00 O ATOM 1351 OE2 GLU A 93 6.281 -12.837 10.817 1.00 0.00 O ATOM 0 H GLU A 93 6.638 -13.091 8.009 1.00 0.00 H new ATOM 0 HA GLU A 93 5.893 -15.416 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.626 -14.841 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.035 -15.576 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.821 -12.545 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.981 -13.407 9.747 1.00 0.00 H new ATOM 1358 N LEU A 94 4.448 -12.612 5.657 1.00 0.00 N ATOM 1359 CA LEU A 94 3.569 -11.970 4.638 1.00 0.00 C ATOM 1360 C LEU A 94 4.370 -11.704 3.366 1.00 0.00 C ATOM 1361 O LEU A 94 3.906 -11.066 2.444 1.00 0.00 O ATOM 1362 CB LEU A 94 3.015 -10.673 5.258 1.00 0.00 C ATOM 1363 CG LEU A 94 2.261 -10.999 6.568 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.377 -9.825 6.937 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.370 -12.244 6.431 1.00 0.00 C ATOM 0 H LEU A 94 4.938 -11.957 6.267 1.00 0.00 H new ATOM 0 HA LEU A 94 2.736 -12.616 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.830 -9.979 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.344 -10.180 4.554 1.00 0.00 H new ATOM 0 HG LEU A 94 3.010 -11.194 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.842 -10.048 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.993 -8.937 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.659 -9.644 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.861 -12.433 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.631 -12.078 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.986 -13.105 6.172 1.00 0.00 H new ATOM 1377 N ASP A 95 5.567 -12.212 3.316 1.00 0.00 N ATOM 1378 CA ASP A 95 6.410 -12.030 2.101 1.00 0.00 C ATOM 1379 C ASP A 95 5.647 -12.518 0.863 1.00 0.00 C ATOM 1380 O ASP A 95 5.017 -13.555 0.870 1.00 0.00 O ATOM 1381 CB ASP A 95 7.684 -12.861 2.267 1.00 0.00 C ATOM 1382 CG ASP A 95 7.311 -14.337 2.410 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.191 -14.606 2.815 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.150 -15.172 2.119 1.00 0.00 O ATOM 0 H ASP A 95 6.001 -12.748 4.067 1.00 0.00 H new ATOM 0 HA ASP A 95 6.657 -10.976 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.338 -12.721 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.237 -12.527 3.145 1.00 0.00 H new ATOM 1389 N GLY A 96 5.726 -11.775 -0.202 1.00 0.00 N ATOM 1390 CA GLY A 96 5.043 -12.160 -1.484 1.00 0.00 C ATOM 1391 C GLY A 96 3.833 -11.256 -1.716 1.00 0.00 C ATOM 1392 O GLY A 96 3.105 -11.407 -2.674 1.00 0.00 O ATOM 0 H GLY A 96 6.244 -10.897 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.739 -12.073 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.727 -13.202 -1.440 1.00 0.00 H new ATOM 1396 N ILE A 97 3.572 -10.368 -0.799 1.00 0.00 N ATOM 1397 CA ILE A 97 2.352 -9.502 -0.916 1.00 0.00 C ATOM 1398 C ILE A 97 2.260 -8.785 -2.262 1.00 0.00 C ATOM 1399 O ILE A 97 3.215 -8.230 -2.762 1.00 0.00 O ATOM 1400 CB ILE A 97 2.333 -8.475 0.214 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.070 -7.617 0.106 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.560 -7.572 0.139 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.932 -6.760 1.365 1.00 0.00 C ATOM 0 H ILE A 97 4.146 -10.200 0.027 1.00 0.00 H new ATOM 0 HA ILE A 97 1.487 -10.162 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 97 2.342 -9.006 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.123 -6.980 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.193 -8.253 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.528 -6.847 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.463 -8.177 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.567 -7.046 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.033 -6.147 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.860 -7.407 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.804 -6.114 1.463 1.00 0.00 H new ATOM 1415 N VAL A 98 1.092 -8.813 -2.857 1.00 0.00 N ATOM 1416 CA VAL A 98 0.887 -8.147 -4.182 1.00 0.00 C ATOM 1417 C VAL A 98 0.082 -6.857 -3.977 1.00 0.00 C ATOM 1418 O VAL A 98 -1.080 -6.888 -3.621 1.00 0.00 O ATOM 1419 CB VAL A 98 0.117 -9.102 -5.097 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.291 -8.680 -6.564 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.654 -10.526 -4.910 1.00 0.00 C ATOM 0 H VAL A 98 0.264 -9.273 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 98 1.847 -7.901 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.942 -9.069 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.260 -9.365 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.091 -7.668 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.348 -8.707 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.108 -11.209 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.713 -10.552 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.523 -10.831 -3.872 1.00 0.00 H new ATOM 1431 N VAL A 99 0.696 -5.721 -4.189 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.005 -4.417 -4.005 1.00 0.00 C ATOM 1433 C VAL A 99 -0.402 -3.856 -5.370 1.00 0.00 C ATOM 1434 O VAL A 99 0.406 -3.759 -6.276 1.00 0.00 O ATOM 1435 CB VAL A 99 0.956 -3.426 -3.340 1.00 0.00 C ATOM 1436 CG1 VAL A 99 0.157 -2.336 -2.610 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.845 -4.167 -2.335 1.00 0.00 C ATOM 0 H VAL A 99 1.669 -5.642 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.891 -4.565 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 99 1.579 -2.964 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.845 -1.634 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.470 -1.804 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.472 -2.795 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.528 -3.460 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.221 -4.633 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.419 -4.935 -2.854 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.641 -3.512 -5.523 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.137 -2.978 -6.825 1.00 0.00 C ATOM 1449 C ASP A 100 -2.335 -1.464 -6.730 1.00 0.00 C ATOM 1450 O ASP A 100 -3.080 -0.966 -5.911 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.457 -3.694 -7.175 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.199 -4.856 -8.141 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.850 -5.927 -7.674 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.351 -4.651 -9.340 1.00 0.00 O ATOM 0 H ASP A 100 -2.349 -3.577 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.409 -3.165 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.927 -4.067 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.153 -2.986 -7.626 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.652 -0.735 -7.580 1.00 0.00 N ATOM 1460 CA VAL A 101 -1.753 0.755 -7.579 1.00 0.00 C ATOM 1461 C VAL A 101 -2.598 1.207 -8.789 1.00 0.00 C ATOM 1462 O VAL A 101 -2.330 0.803 -9.907 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.347 1.338 -7.699 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.387 2.832 -7.377 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.579 0.629 -6.707 1.00 0.00 C ATOM 0 H VAL A 101 -1.020 -1.117 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.224 1.100 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 101 0.024 1.195 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.616 3.250 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.051 3.338 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.755 2.975 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.584 1.042 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.207 0.777 -5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.605 -0.437 -6.932 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.610 2.031 -8.594 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.485 2.515 -9.715 1.00 0.00 C ATOM 1477 C PRO A 102 -3.896 3.706 -10.481 1.00 0.00 C ATOM 1478 O PRO A 102 -2.775 4.121 -10.261 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.750 2.959 -8.977 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.256 3.462 -7.666 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.050 2.591 -7.303 1.00 0.00 C ATOM 0 HA PRO A 102 -4.630 1.743 -10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.279 3.737 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.446 2.130 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.972 4.512 -7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.032 3.390 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.261 3.178 -6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.323 1.804 -6.600 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.686 4.275 -11.363 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.241 5.467 -12.144 1.00 0.00 C ATOM 1491 C ASP A 103 -4.667 6.719 -11.374 1.00 0.00 C ATOM 1492 O ASP A 103 -4.162 7.803 -11.585 1.00 0.00 O ATOM 1493 CB ASP A 103 -4.908 5.461 -13.520 1.00 0.00 C ATOM 1494 CG ASP A 103 -4.254 6.522 -14.401 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -4.415 7.694 -14.106 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -3.602 6.144 -15.363 1.00 0.00 O ATOM 0 H ASP A 103 -5.632 3.957 -11.575 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.160 5.450 -12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.809 4.478 -13.981 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.975 5.661 -13.421 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.598 6.557 -10.466 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.094 7.697 -9.643 1.00 0.00 C ATOM 1503 C ARG A 104 -5.822 7.347 -8.196 1.00 0.00 C ATOM 1504 O ARG A 104 -6.448 6.460 -7.662 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.618 7.844 -9.809 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.025 7.882 -11.316 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.522 9.280 -11.708 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.346 10.190 -11.790 1.00 0.00 N ATOM 1509 CZ ARG A 104 -7.458 11.358 -12.376 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -8.633 11.808 -12.724 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -6.395 12.090 -12.579 1.00 0.00 N ATOM 0 H ARG A 104 -6.042 5.663 -10.259 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.604 8.622 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.121 7.013 -9.315 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.953 8.757 -9.317 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.171 7.607 -11.936 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.807 7.146 -11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.041 9.243 -12.666 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.237 9.649 -10.972 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.452 9.905 -11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.467 11.251 -12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.717 12.717 -13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.479 11.753 -12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.481 12.999 -13.035 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.911 8.015 -7.535 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.628 7.686 -6.108 1.00 0.00 C ATOM 1527 C GLN A 105 -5.092 8.858 -5.234 1.00 0.00 C ATOM 1528 O GLN A 105 -5.122 8.782 -4.023 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.117 7.511 -5.939 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.391 8.642 -6.684 1.00 0.00 C ATOM 1531 CD GLN A 105 -2.329 8.326 -8.178 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -3.001 8.956 -8.969 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -1.545 7.373 -8.597 1.00 0.00 N ATOM 0 H GLN A 105 -4.351 8.774 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.147 6.773 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.853 7.528 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.805 6.543 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.911 9.587 -6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.383 8.762 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.982 6.846 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.495 7.155 -9.592 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.446 9.944 -5.868 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.906 11.144 -5.106 1.00 0.00 C ATOM 1544 C TRP A 106 -7.066 10.753 -4.191 1.00 0.00 C ATOM 1545 O TRP A 106 -7.638 11.641 -3.577 1.00 0.00 O ATOM 1546 CB TRP A 106 -6.368 12.225 -6.092 1.00 0.00 C ATOM 1547 CG TRP A 106 -6.511 13.528 -5.365 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.686 14.115 -5.042 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -5.462 14.412 -4.880 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -7.425 15.303 -4.388 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -6.068 15.530 -4.260 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -4.057 14.353 -4.906 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -5.309 16.554 -3.690 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -3.290 15.380 -4.333 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -3.914 16.478 -3.732 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.364 9.572 -4.120 1.00 0.00 O ATOM 0 H TRP A 106 -5.437 10.053 -6.882 1.00 0.00 H new ATOM 0 HA TRP A 106 -5.085 11.531 -4.502 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.648 12.325 -6.904 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -7.319 11.940 -6.543 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.667 13.720 -5.260 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -8.146 15.936 -4.042 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.564 13.511 -5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.795 17.397 -3.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -2.212 15.322 -4.356 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -3.317 17.268 -3.300 1.00 0.00 H new