USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1099 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 33 MET CE :methyl -110:sc= -0.259 (180deg=-1.14) USER MOD Set 1.2: A 73 HIS : no HD1:sc= -13! C(o=-13!,f=-14!) USER MOD Single : A 1 MET CE :methyl 165:sc= 0 (180deg=-0.354) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0218 (180deg=-0.208) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0938 USER MOD Single : A 20 HIS : no HE2:sc= -7.84! C(o=-7.8!,f=-13!) USER MOD Single : A 28 ASN : amide:sc= 0.0698 X(o=0.07,f=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 90:sc= -0.49 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -140:sc= -0.377 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 36:sc= 1.55 USER MOD Single : A 75 THR OG1 : rot -5:sc= -1.01 USER MOD Single : A 81 SER OG : rot 180:sc= -0.447 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.834 X(o=-0.83,f=-0.6) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.979 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 101 MET CE :methyl 176:sc= 0 (180deg=-0.0428) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -4.5 K(o=-4.5,f=-5.2!) USER MOD Single : A 116 LYS NZ :NH3+ -148:sc= -0.154 (180deg=-0.764) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -3.32 K(o=-3.3,f=-4.4!) USER MOD Single : A 122 MET CE :methyl -175:sc= -0.0357 (180deg=-0.161) USER MOD Single : A 123 MET CE :methyl -151:sc= -6.53! (180deg=-7.58!) USER MOD Single : A 133 LYS NZ :NH3+ -157:sc= 0.496 (180deg=0.283) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.059 -0.105 17.468 1.00 0.00 N ATOM 2 CA MET A 1 -3.020 1.381 17.514 1.00 0.00 C ATOM 3 C MET A 1 -2.301 1.953 16.297 1.00 0.00 C ATOM 4 O MET A 1 -1.675 3.009 16.373 1.00 0.00 O ATOM 5 CB MET A 1 -2.306 1.809 18.799 1.00 0.00 C ATOM 6 CG MET A 1 -2.323 3.311 19.031 1.00 0.00 C ATOM 7 SD MET A 1 -2.265 3.743 20.780 1.00 0.00 S ATOM 8 CE MET A 1 -0.883 2.744 21.330 1.00 0.00 C ATOM 0 H1 MET A 1 -3.350 -0.474 18.396 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.740 -0.412 16.744 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.114 -0.470 17.232 1.00 0.00 H new ATOM 0 HA MET A 1 -4.040 1.766 17.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.775 1.313 19.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.272 1.467 18.762 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.473 3.763 18.520 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.224 3.733 18.586 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.551 3.090 22.309 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.193 1.701 21.400 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.064 2.832 20.617 1.00 0.00 H new ATOM 20 N LYS A 2 -2.397 1.246 15.175 1.00 0.00 N ATOM 21 CA LYS A 2 -1.755 1.683 13.940 1.00 0.00 C ATOM 22 C LYS A 2 -2.575 2.774 13.252 1.00 0.00 C ATOM 23 O LYS A 2 -2.046 3.551 12.458 1.00 0.00 O ATOM 24 CB LYS A 2 -1.569 0.497 12.992 1.00 0.00 C ATOM 25 CG LYS A 2 -1.025 -0.748 13.674 1.00 0.00 C ATOM 26 CD LYS A 2 -0.681 -1.834 12.666 1.00 0.00 C ATOM 27 CE LYS A 2 0.731 -2.359 12.870 1.00 0.00 C ATOM 28 NZ LYS A 2 1.063 -3.448 11.910 1.00 0.00 N ATOM 0 H LYS A 2 -2.912 0.369 15.096 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.779 2.095 14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.527 0.259 12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.891 0.787 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.136 -0.489 14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.762 -1.128 14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.392 -2.655 12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.780 -1.438 11.655 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.443 -1.542 12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.837 -2.729 13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.034 -3.778 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.400 -4.239 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.987 -3.088 10.937 1.00 0.00 H new ATOM 42 N GLY A 3 -3.867 2.824 13.561 1.00 0.00 N ATOM 43 CA GLY A 3 -4.735 3.821 12.961 1.00 0.00 C ATOM 44 C GLY A 3 -5.469 3.300 11.741 1.00 0.00 C ATOM 45 O GLY A 3 -6.069 4.074 10.997 1.00 0.00 O ATOM 0 H GLY A 3 -4.328 2.192 14.216 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.461 4.157 13.701 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.142 4.691 12.679 1.00 0.00 H new ATOM 49 N PHE A 4 -5.422 1.987 11.531 1.00 0.00 N ATOM 50 CA PHE A 4 -6.085 1.370 10.388 1.00 0.00 C ATOM 51 C PHE A 4 -7.368 0.655 10.817 1.00 0.00 C ATOM 52 O PHE A 4 -7.411 0.008 11.863 1.00 0.00 O ATOM 53 CB PHE A 4 -5.122 0.405 9.685 1.00 0.00 C ATOM 54 CG PHE A 4 -5.285 -1.038 10.082 1.00 0.00 C ATOM 55 CD1 PHE A 4 -4.948 -1.460 11.358 1.00 0.00 C ATOM 56 CD2 PHE A 4 -5.774 -1.968 9.178 1.00 0.00 C ATOM 57 CE1 PHE A 4 -5.096 -2.785 11.726 1.00 0.00 C ATOM 58 CE2 PHE A 4 -5.924 -3.294 9.542 1.00 0.00 C ATOM 59 CZ PHE A 4 -5.584 -3.702 10.816 1.00 0.00 C ATOM 0 H PHE A 4 -4.931 1.331 12.138 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.368 2.152 9.684 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.264 0.491 8.608 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.098 0.714 9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.566 -0.747 12.073 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.041 -1.654 8.180 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.830 -3.102 12.724 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.307 -4.010 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.699 -4.737 11.101 1.00 0.00 H new ATOM 69 N GLU A 5 -8.408 0.777 9.996 1.00 0.00 N ATOM 70 CA GLU A 5 -9.694 0.146 10.278 1.00 0.00 C ATOM 71 C GLU A 5 -10.370 -0.278 8.978 1.00 0.00 C ATOM 72 O GLU A 5 -10.248 0.398 7.962 1.00 0.00 O ATOM 73 CB GLU A 5 -10.599 1.103 11.054 1.00 0.00 C ATOM 74 CG GLU A 5 -10.917 2.385 10.302 1.00 0.00 C ATOM 75 CD GLU A 5 -12.262 2.971 10.690 1.00 0.00 C ATOM 76 OE1 GLU A 5 -13.278 2.253 10.572 1.00 0.00 O ATOM 77 OE2 GLU A 5 -12.298 4.145 11.112 1.00 0.00 O ATOM 0 H GLU A 5 -8.384 1.310 9.126 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.519 -0.740 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.531 0.593 11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.120 1.356 12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.135 3.119 10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.907 2.185 9.231 1.00 0.00 H new ATOM 84 N PHE A 6 -11.071 -1.404 9.009 1.00 0.00 N ATOM 85 CA PHE A 6 -11.744 -1.912 7.817 1.00 0.00 C ATOM 86 C PHE A 6 -13.261 -1.900 7.970 1.00 0.00 C ATOM 87 O PHE A 6 -13.789 -2.102 9.063 1.00 0.00 O ATOM 88 CB PHE A 6 -11.271 -3.334 7.510 1.00 0.00 C ATOM 89 CG PHE A 6 -11.186 -4.215 8.723 1.00 0.00 C ATOM 90 CD1 PHE A 6 -10.081 -4.164 9.557 1.00 0.00 C ATOM 91 CD2 PHE A 6 -12.212 -5.095 9.030 1.00 0.00 C ATOM 92 CE1 PHE A 6 -10.000 -4.974 10.674 1.00 0.00 C ATOM 93 CE2 PHE A 6 -12.137 -5.908 10.145 1.00 0.00 C ATOM 94 CZ PHE A 6 -11.029 -5.847 10.968 1.00 0.00 C ATOM 0 H PHE A 6 -11.189 -1.982 9.841 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.485 -1.250 6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.952 -3.787 6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.291 -3.287 7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.273 -3.483 9.332 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -13.081 -5.146 8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.133 -4.924 11.316 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.943 -6.590 10.373 1.00 0.00 H new ATOM 0 HZ PHE A 6 -10.968 -6.481 11.840 1.00 0.00 H new ATOM 104 N PHE A 7 -13.956 -1.684 6.855 1.00 0.00 N ATOM 105 CA PHE A 7 -15.414 -1.672 6.850 1.00 0.00 C ATOM 106 C PHE A 7 -15.934 -2.917 6.139 1.00 0.00 C ATOM 107 O PHE A 7 -15.359 -3.360 5.145 1.00 0.00 O ATOM 108 CB PHE A 7 -15.961 -0.403 6.179 1.00 0.00 C ATOM 109 CG PHE A 7 -15.035 0.221 5.168 1.00 0.00 C ATOM 110 CD1 PHE A 7 -15.021 -0.222 3.856 1.00 0.00 C ATOM 111 CD2 PHE A 7 -14.188 1.260 5.529 1.00 0.00 C ATOM 112 CE1 PHE A 7 -14.180 0.355 2.923 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.345 1.842 4.598 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.342 1.388 3.295 1.00 0.00 C ATOM 0 H PHE A 7 -13.531 -1.515 5.943 1.00 0.00 H new ATOM 0 HA PHE A 7 -15.762 -1.674 7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -16.904 -0.645 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -16.184 0.333 6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -15.675 -1.028 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -14.187 1.618 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.178 -0.002 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.691 2.650 4.891 1.00 0.00 H new ATOM 0 HZ PHE A 7 -12.685 1.840 2.567 1.00 0.00 H new ATOM 124 N ASP A 8 -16.999 -3.502 6.676 1.00 0.00 N ATOM 125 CA ASP A 8 -17.565 -4.724 6.112 1.00 0.00 C ATOM 126 C ASP A 8 -18.406 -4.469 4.867 1.00 0.00 C ATOM 127 O ASP A 8 -19.578 -4.102 4.956 1.00 0.00 O ATOM 128 CB ASP A 8 -18.409 -5.448 7.156 1.00 0.00 C ATOM 129 CG ASP A 8 -19.436 -4.541 7.804 1.00 0.00 C ATOM 130 OD1 ASP A 8 -19.053 -3.444 8.264 1.00 0.00 O ATOM 131 OD2 ASP A 8 -20.623 -4.926 7.851 1.00 0.00 O ATOM 0 H ASP A 8 -17.488 -3.151 7.500 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.722 -5.347 5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.918 -6.290 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.755 -5.859 7.925 1.00 0.00 H new ATOM 136 N VAL A 9 -17.806 -4.709 3.708 1.00 0.00 N ATOM 137 CA VAL A 9 -18.495 -4.556 2.433 1.00 0.00 C ATOM 138 C VAL A 9 -18.801 -5.924 1.848 1.00 0.00 C ATOM 139 O VAL A 9 -18.067 -6.886 2.077 1.00 0.00 O ATOM 140 CB VAL A 9 -17.676 -3.732 1.404 1.00 0.00 C ATOM 141 CG1 VAL A 9 -17.836 -4.265 -0.012 1.00 0.00 C ATOM 142 CG2 VAL A 9 -18.105 -2.294 1.419 1.00 0.00 C ATOM 0 H VAL A 9 -16.836 -5.013 3.625 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.416 -4.009 2.633 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.630 -3.820 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.245 -3.658 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -17.491 -5.298 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -18.886 -4.221 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.520 -1.732 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.163 -2.227 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.945 -1.877 2.413 1.00 0.00 H new ATOM 152 N THR A 10 -19.870 -6.005 1.074 1.00 0.00 N ATOM 153 CA THR A 10 -20.239 -7.256 0.442 1.00 0.00 C ATOM 154 C THR A 10 -19.669 -7.317 -0.973 1.00 0.00 C ATOM 155 O THR A 10 -20.160 -6.621 -1.862 1.00 0.00 O ATOM 156 CB THR A 10 -21.759 -7.401 0.407 1.00 0.00 C ATOM 157 OG1 THR A 10 -22.291 -7.424 1.719 1.00 0.00 O ATOM 158 CG2 THR A 10 -22.228 -8.654 -0.302 1.00 0.00 C ATOM 0 H THR A 10 -20.493 -5.223 0.870 1.00 0.00 H new ATOM 0 HA THR A 10 -19.824 -8.080 1.023 1.00 0.00 H new ATOM 0 HB THR A 10 -22.117 -6.535 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.266 -7.516 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 10 -23.317 -8.693 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 10 -21.877 -8.641 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 10 -21.828 -9.531 0.206 1.00 0.00 H new ATOM 166 N ALA A 11 -18.619 -8.135 -1.168 1.00 0.00 N ATOM 167 CA ALA A 11 -17.951 -8.280 -2.468 1.00 0.00 C ATOM 168 C ALA A 11 -16.567 -7.664 -2.396 1.00 0.00 C ATOM 169 O ALA A 11 -15.591 -8.227 -2.878 1.00 0.00 O ATOM 170 CB ALA A 11 -18.747 -7.634 -3.597 1.00 0.00 C ATOM 0 H ALA A 11 -18.213 -8.711 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.877 -9.345 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.215 -7.766 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.728 -8.104 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.868 -6.570 -3.394 1.00 0.00 H new ATOM 176 N ASP A 12 -16.509 -6.494 -1.780 1.00 0.00 N ATOM 177 CA ASP A 12 -15.261 -5.760 -1.611 1.00 0.00 C ATOM 178 C ASP A 12 -14.994 -5.456 -0.139 1.00 0.00 C ATOM 179 O ASP A 12 -15.867 -5.604 0.712 1.00 0.00 O ATOM 180 CB ASP A 12 -15.278 -4.436 -2.392 1.00 0.00 C ATOM 181 CG ASP A 12 -16.615 -4.149 -3.051 1.00 0.00 C ATOM 182 OD1 ASP A 12 -17.044 -4.960 -3.899 1.00 0.00 O ATOM 183 OD2 ASP A 12 -17.230 -3.114 -2.720 1.00 0.00 O ATOM 0 H ASP A 12 -17.323 -6.025 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.468 -6.398 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.031 -3.619 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.501 -4.462 -3.156 1.00 0.00 H new ATOM 188 N ALA A 13 -13.785 -5.004 0.144 1.00 0.00 N ATOM 189 CA ALA A 13 -13.400 -4.626 1.492 1.00 0.00 C ATOM 190 C ALA A 13 -12.390 -3.490 1.430 1.00 0.00 C ATOM 191 O ALA A 13 -11.315 -3.652 0.863 1.00 0.00 O ATOM 192 CB ALA A 13 -12.818 -5.821 2.234 1.00 0.00 C ATOM 0 H ALA A 13 -13.046 -4.889 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.282 -4.289 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.535 -5.520 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.564 -6.614 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.938 -6.185 1.703 1.00 0.00 H new ATOM 198 N GLY A 14 -12.716 -2.350 2.021 1.00 0.00 N ATOM 199 CA GLY A 14 -11.790 -1.229 2.004 1.00 0.00 C ATOM 200 C GLY A 14 -11.336 -0.871 3.396 1.00 0.00 C ATOM 201 O GLY A 14 -12.139 -0.833 4.328 1.00 0.00 O ATOM 0 H GLY A 14 -13.595 -2.178 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.925 -1.479 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.269 -0.366 1.542 1.00 0.00 H new ATOM 205 N PHE A 15 -10.046 -0.622 3.546 1.00 0.00 N ATOM 206 CA PHE A 15 -9.497 -0.278 4.844 1.00 0.00 C ATOM 207 C PHE A 15 -9.166 1.199 4.908 1.00 0.00 C ATOM 208 O PHE A 15 -8.794 1.811 3.907 1.00 0.00 O ATOM 209 CB PHE A 15 -8.236 -1.094 5.143 1.00 0.00 C ATOM 210 CG PHE A 15 -8.283 -2.515 4.651 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.233 -2.802 3.296 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.375 -3.566 5.550 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.276 -4.109 2.847 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.418 -4.874 5.107 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.368 -5.147 3.755 1.00 0.00 C ATOM 0 H PHE A 15 -9.363 -0.652 2.789 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.253 -0.512 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.379 -0.594 4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.069 -1.101 6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.160 -1.995 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.414 -3.360 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.238 -4.319 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.491 -5.683 5.819 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.401 -6.169 3.407 1.00 0.00 H new ATOM 225 N TRP A 16 -9.298 1.759 6.094 1.00 0.00 N ATOM 226 CA TRP A 16 -9.008 3.161 6.311 1.00 0.00 C ATOM 227 C TRP A 16 -7.906 3.309 7.348 1.00 0.00 C ATOM 228 O TRP A 16 -8.014 2.795 8.459 1.00 0.00 O ATOM 229 CB TRP A 16 -10.269 3.900 6.770 1.00 0.00 C ATOM 230 CG TRP A 16 -10.568 5.126 5.964 1.00 0.00 C ATOM 231 CD1 TRP A 16 -9.677 6.073 5.548 1.00 0.00 C ATOM 232 CD2 TRP A 16 -11.851 5.542 5.477 1.00 0.00 C ATOM 233 NE1 TRP A 16 -10.325 7.049 4.831 1.00 0.00 N ATOM 234 CE2 TRP A 16 -11.660 6.745 4.773 1.00 0.00 C ATOM 235 CE3 TRP A 16 -13.140 5.010 5.565 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -12.710 7.427 4.164 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -14.183 5.688 4.961 1.00 0.00 C ATOM 238 CH2 TRP A 16 -13.962 6.884 4.267 1.00 0.00 C ATOM 0 H TRP A 16 -9.607 1.259 6.928 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.671 3.600 5.372 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -11.120 3.221 6.713 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.155 4.182 7.817 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.617 6.057 5.753 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.884 7.867 4.410 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -13.319 4.086 6.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.543 8.351 3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -15.184 5.289 5.026 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -14.797 7.388 3.803 1.00 0.00 H new ATOM 249 N ALA A 17 -6.854 4.019 6.980 1.00 0.00 N ATOM 250 CA ALA A 17 -5.733 4.243 7.877 1.00 0.00 C ATOM 251 C ALA A 17 -5.499 5.713 8.054 1.00 0.00 C ATOM 252 O ALA A 17 -5.793 6.513 7.170 1.00 0.00 O ATOM 253 CB ALA A 17 -4.480 3.548 7.366 1.00 0.00 C ATOM 0 H ALA A 17 -6.752 4.452 6.062 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.975 3.813 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.656 3.731 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.662 2.476 7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.223 3.938 6.381 1.00 0.00 H new ATOM 259 N TYR A 18 -5.002 6.066 9.219 1.00 0.00 N ATOM 260 CA TYR A 18 -4.768 7.456 9.530 1.00 0.00 C ATOM 261 C TYR A 18 -3.284 7.761 9.669 1.00 0.00 C ATOM 262 O TYR A 18 -2.497 6.921 10.105 1.00 0.00 O ATOM 263 CB TYR A 18 -5.514 7.847 10.800 1.00 0.00 C ATOM 264 CG TYR A 18 -6.531 6.837 11.282 1.00 0.00 C ATOM 265 CD1 TYR A 18 -7.507 6.341 10.428 1.00 0.00 C ATOM 266 CD2 TYR A 18 -6.519 6.389 12.595 1.00 0.00 C ATOM 267 CE1 TYR A 18 -8.441 5.425 10.869 1.00 0.00 C ATOM 268 CE2 TYR A 18 -7.449 5.474 13.045 1.00 0.00 C ATOM 269 CZ TYR A 18 -8.408 4.994 12.178 1.00 0.00 C ATOM 270 OH TYR A 18 -9.338 4.083 12.623 1.00 0.00 O ATOM 0 H TYR A 18 -4.754 5.413 9.962 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.148 8.049 8.698 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.786 8.014 11.594 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.021 8.796 10.628 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.536 6.677 9.402 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.769 6.763 13.277 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.193 5.048 10.192 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.426 5.136 14.070 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.174 3.884 13.568 1.00 0.00 H new ATOM 280 N GLY A 19 -2.914 8.975 9.276 1.00 0.00 N ATOM 281 CA GLY A 19 -1.531 9.391 9.339 1.00 0.00 C ATOM 282 C GLY A 19 -1.247 10.381 10.391 1.00 0.00 C ATOM 283 O GLY A 19 -2.030 10.636 11.306 1.00 0.00 O ATOM 0 H GLY A 19 -3.555 9.681 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.906 8.513 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.245 9.810 8.374 1.00 0.00 H new ATOM 287 N HIS A 20 -0.080 10.913 10.230 1.00 0.00 N ATOM 288 CA HIS A 20 0.460 11.877 11.100 1.00 0.00 C ATOM 289 C HIS A 20 1.310 12.861 10.304 1.00 0.00 C ATOM 290 O HIS A 20 1.980 13.723 10.872 1.00 0.00 O ATOM 291 CB HIS A 20 1.291 11.152 12.134 1.00 0.00 C ATOM 292 CG HIS A 20 1.394 9.662 11.962 1.00 0.00 C ATOM 293 ND1 HIS A 20 2.588 9.014 11.723 1.00 0.00 N ATOM 294 CD2 HIS A 20 0.451 8.690 12.026 1.00 0.00 C ATOM 295 CE1 HIS A 20 2.375 7.713 11.646 1.00 0.00 C ATOM 296 NE2 HIS A 20 1.088 7.491 11.827 1.00 0.00 N ATOM 0 H HIS A 20 0.538 10.671 9.456 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.328 12.443 11.597 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.297 11.571 12.123 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.871 11.357 13.119 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.495 9.469 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.605 8.833 12.201 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.127 6.959 11.465 1.00 0.00 H new ATOM 305 N ASP A 21 1.280 12.716 8.974 1.00 0.00 N ATOM 306 CA ASP A 21 2.057 13.595 8.098 1.00 0.00 C ATOM 307 C ASP A 21 1.825 13.290 6.615 1.00 0.00 C ATOM 308 O ASP A 21 2.694 13.543 5.782 1.00 0.00 O ATOM 309 CB ASP A 21 3.548 13.478 8.426 1.00 0.00 C ATOM 310 CG ASP A 21 4.077 14.699 9.153 1.00 0.00 C ATOM 311 OD1 ASP A 21 3.611 15.818 8.851 1.00 0.00 O ATOM 312 OD2 ASP A 21 4.956 14.536 10.025 1.00 0.00 O ATOM 0 H ASP A 21 0.732 12.007 8.487 1.00 0.00 H new ATOM 0 HA ASP A 21 1.717 14.615 8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.714 12.593 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.110 13.336 7.503 1.00 0.00 H new ATOM 317 N LEU A 22 0.650 12.754 6.296 1.00 0.00 N ATOM 318 CA LEU A 22 0.283 12.418 4.919 1.00 0.00 C ATOM 319 C LEU A 22 1.005 11.167 4.440 1.00 0.00 C ATOM 320 O LEU A 22 0.370 10.201 4.024 1.00 0.00 O ATOM 321 CB LEU A 22 0.561 13.592 3.973 1.00 0.00 C ATOM 322 CG LEU A 22 -0.251 14.857 4.257 1.00 0.00 C ATOM 323 CD1 LEU A 22 0.586 16.100 3.998 1.00 0.00 C ATOM 324 CD2 LEU A 22 -1.516 14.878 3.411 1.00 0.00 C ATOM 0 H LEU A 22 -0.075 12.540 6.981 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.788 12.213 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.621 13.839 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.360 13.271 2.951 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.539 14.852 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.009 16.989 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.462 16.090 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.906 16.113 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.082 15.785 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.248 14.859 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.126 14.006 3.646 1.00 0.00 H new ATOM 336 N GLU A 23 2.327 11.170 4.507 1.00 0.00 N ATOM 337 CA GLU A 23 3.092 10.004 4.086 1.00 0.00 C ATOM 338 C GLU A 23 2.742 8.816 4.977 1.00 0.00 C ATOM 339 O GLU A 23 2.760 7.667 4.546 1.00 0.00 O ATOM 340 CB GLU A 23 4.602 10.292 4.114 1.00 0.00 C ATOM 341 CG GLU A 23 5.214 10.362 5.502 1.00 0.00 C ATOM 342 CD GLU A 23 5.347 11.782 6.018 1.00 0.00 C ATOM 343 OE1 GLU A 23 4.984 12.720 5.278 1.00 0.00 O ATOM 344 OE2 GLU A 23 5.815 11.956 7.163 1.00 0.00 O ATOM 0 H GLU A 23 2.887 11.953 4.843 1.00 0.00 H new ATOM 0 HA GLU A 23 2.829 9.762 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.116 9.517 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.786 11.237 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.600 9.786 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.198 9.894 5.484 1.00 0.00 H new ATOM 351 N GLU A 24 2.417 9.120 6.227 1.00 0.00 N ATOM 352 CA GLU A 24 2.056 8.106 7.208 1.00 0.00 C ATOM 353 C GLU A 24 0.866 7.261 6.741 1.00 0.00 C ATOM 354 O GLU A 24 0.858 6.045 6.930 1.00 0.00 O ATOM 355 CB GLU A 24 1.738 8.773 8.548 1.00 0.00 C ATOM 356 CG GLU A 24 2.762 9.821 8.962 1.00 0.00 C ATOM 357 CD GLU A 24 4.125 9.222 9.247 1.00 0.00 C ATOM 358 OE1 GLU A 24 4.618 8.439 8.408 1.00 0.00 O ATOM 359 OE2 GLU A 24 4.701 9.537 10.311 1.00 0.00 O ATOM 0 H GLU A 24 2.396 10.074 6.588 1.00 0.00 H new ATOM 0 HA GLU A 24 2.907 7.435 7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.755 9.240 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.680 8.007 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.854 10.566 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.405 10.342 9.850 1.00 0.00 H new ATOM 366 N VAL A 25 -0.138 7.898 6.134 1.00 0.00 N ATOM 367 CA VAL A 25 -1.314 7.161 5.660 1.00 0.00 C ATOM 368 C VAL A 25 -0.985 6.329 4.428 1.00 0.00 C ATOM 369 O VAL A 25 -1.378 5.166 4.330 1.00 0.00 O ATOM 370 CB VAL A 25 -2.508 8.081 5.324 1.00 0.00 C ATOM 371 CG1 VAL A 25 -3.294 8.412 6.575 1.00 0.00 C ATOM 372 CG2 VAL A 25 -2.055 9.349 4.624 1.00 0.00 C ATOM 0 H VAL A 25 -0.163 8.903 5.961 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.602 6.512 6.487 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.159 7.541 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.131 9.061 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.672 7.492 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.646 8.921 7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.922 9.972 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.370 9.897 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.548 9.090 3.695 1.00 0.00 H new ATOM 382 N PHE A 26 -0.264 6.928 3.489 1.00 0.00 N ATOM 383 CA PHE A 26 0.116 6.241 2.261 1.00 0.00 C ATOM 384 C PHE A 26 0.735 4.882 2.567 1.00 0.00 C ATOM 385 O PHE A 26 0.396 3.879 1.940 1.00 0.00 O ATOM 386 CB PHE A 26 1.100 7.095 1.467 1.00 0.00 C ATOM 387 CG PHE A 26 0.440 8.132 0.605 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.555 7.776 -0.291 1.00 0.00 C ATOM 389 CD2 PHE A 26 0.813 9.462 0.692 1.00 0.00 C ATOM 390 CE1 PHE A 26 -1.165 8.729 -1.083 1.00 0.00 C ATOM 391 CE2 PHE A 26 0.207 10.420 -0.099 1.00 0.00 C ATOM 392 CZ PHE A 26 -0.784 10.053 -0.987 1.00 0.00 C ATOM 0 H PHE A 26 0.070 7.890 3.554 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.783 6.082 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.779 7.591 2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.706 6.444 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.857 6.742 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.587 9.755 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.940 8.439 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.508 11.454 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.260 10.799 -1.605 1.00 0.00 H new ATOM 402 N GLU A 27 1.643 4.855 3.538 1.00 0.00 N ATOM 403 CA GLU A 27 2.305 3.616 3.929 1.00 0.00 C ATOM 404 C GLU A 27 1.277 2.547 4.288 1.00 0.00 C ATOM 405 O GLU A 27 1.395 1.392 3.876 1.00 0.00 O ATOM 406 CB GLU A 27 3.232 3.859 5.123 1.00 0.00 C ATOM 407 CG GLU A 27 4.266 4.943 4.890 1.00 0.00 C ATOM 408 CD GLU A 27 5.114 5.217 6.118 1.00 0.00 C ATOM 409 OE1 GLU A 27 4.798 4.666 7.195 1.00 0.00 O ATOM 410 OE2 GLU A 27 6.095 5.982 6.003 1.00 0.00 O ATOM 0 H GLU A 27 1.936 5.676 4.067 1.00 0.00 H new ATOM 0 HA GLU A 27 2.897 3.267 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.628 4.127 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.745 2.929 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.914 4.650 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.762 5.861 4.589 1.00 0.00 H new ATOM 417 N ASN A 28 0.271 2.943 5.059 1.00 0.00 N ATOM 418 CA ASN A 28 -0.785 2.029 5.479 1.00 0.00 C ATOM 419 C ASN A 28 -1.680 1.644 4.305 1.00 0.00 C ATOM 420 O ASN A 28 -2.278 0.568 4.296 1.00 0.00 O ATOM 421 CB ASN A 28 -1.624 2.664 6.590 1.00 0.00 C ATOM 422 CG ASN A 28 -0.916 2.646 7.931 1.00 0.00 C ATOM 423 OD1 ASN A 28 -0.745 1.589 8.539 1.00 0.00 O ATOM 424 ND2 ASN A 28 -0.502 3.817 8.398 1.00 0.00 N ATOM 0 H ASN A 28 0.164 3.896 5.408 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.313 1.123 5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.860 3.694 6.320 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.572 2.132 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.020 3.867 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.666 4.668 7.859 1.00 0.00 H new ATOM 431 N ALA A 29 -1.773 2.531 3.316 1.00 0.00 N ATOM 432 CA ALA A 29 -2.600 2.282 2.139 1.00 0.00 C ATOM 433 C ALA A 29 -2.259 0.943 1.494 1.00 0.00 C ATOM 434 O ALA A 29 -3.093 0.336 0.822 1.00 0.00 O ATOM 435 CB ALA A 29 -2.434 3.410 1.132 1.00 0.00 C ATOM 0 H ALA A 29 -1.286 3.427 3.307 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.640 2.243 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.056 3.213 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.737 4.352 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.390 3.474 0.827 1.00 0.00 H new ATOM 441 N ALA A 30 -1.031 0.482 1.708 1.00 0.00 N ATOM 442 CA ALA A 30 -0.586 -0.789 1.153 1.00 0.00 C ATOM 443 C ALA A 30 -0.583 -1.878 2.222 1.00 0.00 C ATOM 444 O ALA A 30 -0.732 -3.061 1.916 1.00 0.00 O ATOM 445 CB ALA A 30 0.799 -0.642 0.543 1.00 0.00 C ATOM 0 H ALA A 30 -0.327 0.970 2.262 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.285 -1.083 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.119 -1.599 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.769 0.103 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.503 -0.324 1.312 1.00 0.00 H new ATOM 451 N LEU A 31 -0.412 -1.469 3.476 1.00 0.00 N ATOM 452 CA LEU A 31 -0.387 -2.407 4.593 1.00 0.00 C ATOM 453 C LEU A 31 -1.749 -3.066 4.790 1.00 0.00 C ATOM 454 O LEU A 31 -1.835 -4.270 5.036 1.00 0.00 O ATOM 455 CB LEU A 31 0.033 -1.686 5.876 1.00 0.00 C ATOM 456 CG LEU A 31 0.853 -2.528 6.855 1.00 0.00 C ATOM 457 CD1 LEU A 31 0.119 -3.816 7.194 1.00 0.00 C ATOM 458 CD2 LEU A 31 2.226 -2.832 6.275 1.00 0.00 C ATOM 0 H LEU A 31 -0.289 -0.493 3.744 1.00 0.00 H new ATOM 0 HA LEU A 31 0.339 -3.187 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.613 -0.804 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.863 -1.334 6.386 1.00 0.00 H new ATOM 0 HG LEU A 31 0.987 -1.957 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.717 -4.403 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.842 -3.578 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.045 -4.392 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.796 -3.432 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.113 -3.384 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.754 -1.898 6.082 1.00 0.00 H new ATOM 470 N ALA A 32 -2.811 -2.271 4.686 1.00 0.00 N ATOM 471 CA ALA A 32 -4.170 -2.778 4.857 1.00 0.00 C ATOM 472 C ALA A 32 -4.430 -3.988 3.963 1.00 0.00 C ATOM 473 O ALA A 32 -4.894 -5.028 4.430 1.00 0.00 O ATOM 474 CB ALA A 32 -5.184 -1.680 4.569 1.00 0.00 C ATOM 0 H ALA A 32 -2.757 -1.273 4.484 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.279 -3.099 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.192 -2.072 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.026 -0.849 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.061 -1.331 3.544 1.00 0.00 H new ATOM 480 N MET A 33 -4.131 -3.843 2.677 1.00 0.00 N ATOM 481 CA MET A 33 -4.337 -4.922 1.717 1.00 0.00 C ATOM 482 C MET A 33 -3.350 -6.062 1.950 1.00 0.00 C ATOM 483 O MET A 33 -3.735 -7.230 1.984 1.00 0.00 O ATOM 484 CB MET A 33 -4.196 -4.395 0.288 1.00 0.00 C ATOM 485 CG MET A 33 -4.437 -5.451 -0.777 1.00 0.00 C ATOM 486 SD MET A 33 -3.535 -5.117 -2.302 1.00 0.00 S ATOM 487 CE MET A 33 -1.843 -5.240 -1.728 1.00 0.00 C ATOM 0 H MET A 33 -3.745 -2.989 2.275 1.00 0.00 H new ATOM 0 HA MET A 33 -5.346 -5.308 1.859 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.900 -3.576 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.195 -3.983 0.159 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.141 -6.426 -0.390 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.504 -5.505 -0.995 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.385 -4.251 -1.730 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.831 -5.644 -0.716 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.282 -5.901 -2.389 1.00 0.00 H new ATOM 497 N PHE A 34 -2.076 -5.719 2.106 1.00 0.00 N ATOM 498 CA PHE A 34 -1.042 -6.721 2.333 1.00 0.00 C ATOM 499 C PHE A 34 -1.315 -7.503 3.613 1.00 0.00 C ATOM 500 O PHE A 34 -1.012 -8.693 3.701 1.00 0.00 O ATOM 501 CB PHE A 34 0.337 -6.059 2.403 1.00 0.00 C ATOM 502 CG PHE A 34 1.365 -6.718 1.526 1.00 0.00 C ATOM 503 CD1 PHE A 34 1.046 -7.110 0.235 1.00 0.00 C ATOM 504 CD2 PHE A 34 2.650 -6.945 1.993 1.00 0.00 C ATOM 505 CE1 PHE A 34 1.989 -7.716 -0.573 1.00 0.00 C ATOM 506 CE2 PHE A 34 3.597 -7.550 1.189 1.00 0.00 C ATOM 507 CZ PHE A 34 3.266 -7.937 -0.096 1.00 0.00 C ATOM 0 H PHE A 34 -1.736 -4.758 2.080 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.056 -7.418 1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.243 -5.012 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.687 -6.076 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.049 -6.940 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.914 -6.646 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.728 -8.017 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.595 -7.720 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.004 -8.411 -0.726 1.00 0.00 H new ATOM 517 N GLU A 35 -1.893 -6.830 4.603 1.00 0.00 N ATOM 518 CA GLU A 35 -2.210 -7.469 5.876 1.00 0.00 C ATOM 519 C GLU A 35 -3.182 -8.624 5.672 1.00 0.00 C ATOM 520 O GLU A 35 -3.064 -9.670 6.314 1.00 0.00 O ATOM 521 CB GLU A 35 -2.805 -6.448 6.850 1.00 0.00 C ATOM 522 CG GLU A 35 -1.832 -5.998 7.927 1.00 0.00 C ATOM 523 CD GLU A 35 -1.964 -6.802 9.205 1.00 0.00 C ATOM 524 OE1 GLU A 35 -3.032 -6.725 9.848 1.00 0.00 O ATOM 525 OE2 GLU A 35 -0.999 -7.511 9.564 1.00 0.00 O ATOM 0 H GLU A 35 -2.151 -5.845 4.549 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.286 -7.864 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.142 -5.576 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.685 -6.881 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.813 -6.086 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.001 -4.944 8.146 1.00 0.00 H new ATOM 532 N VAL A 36 -4.142 -8.430 4.775 1.00 0.00 N ATOM 533 CA VAL A 36 -5.134 -9.458 4.486 1.00 0.00 C ATOM 534 C VAL A 36 -4.623 -10.433 3.432 1.00 0.00 C ATOM 535 O VAL A 36 -4.817 -11.643 3.544 1.00 0.00 O ATOM 536 CB VAL A 36 -6.466 -8.851 4.004 1.00 0.00 C ATOM 537 CG1 VAL A 36 -7.205 -8.195 5.159 1.00 0.00 C ATOM 538 CG2 VAL A 36 -6.235 -7.856 2.877 1.00 0.00 C ATOM 0 H VAL A 36 -4.254 -7.571 4.236 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.310 -9.991 5.421 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.086 -9.660 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.143 -7.773 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.414 -8.940 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.589 -7.402 5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.191 -7.442 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.591 -7.050 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.757 -8.361 2.038 1.00 0.00 H new ATOM 548 N MET A 37 -3.964 -9.900 2.408 1.00 0.00 N ATOM 549 CA MET A 37 -3.422 -10.725 1.335 1.00 0.00 C ATOM 550 C MET A 37 -2.493 -11.802 1.891 1.00 0.00 C ATOM 551 O MET A 37 -2.281 -12.839 1.263 1.00 0.00 O ATOM 552 CB MET A 37 -2.671 -9.855 0.323 1.00 0.00 C ATOM 553 CG MET A 37 -3.346 -9.789 -1.038 1.00 0.00 C ATOM 554 SD MET A 37 -3.023 -11.249 -2.045 1.00 0.00 S ATOM 555 CE MET A 37 -2.924 -10.519 -3.679 1.00 0.00 C ATOM 0 H MET A 37 -3.793 -8.900 2.299 1.00 0.00 H new ATOM 0 HA MET A 37 -4.255 -11.216 0.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.577 -8.845 0.723 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.660 -10.244 0.200 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.422 -9.678 -0.901 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.999 -8.902 -1.569 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.727 -11.299 -4.415 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.867 -10.027 -3.915 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.117 -9.787 -3.702 1.00 0.00 H new ATOM 565 N THR A 38 -1.941 -11.546 3.076 1.00 0.00 N ATOM 566 CA THR A 38 -1.033 -12.490 3.724 1.00 0.00 C ATOM 567 C THR A 38 -0.391 -11.862 4.958 1.00 0.00 C ATOM 568 O THR A 38 -0.163 -10.653 5.003 1.00 0.00 O ATOM 569 CB THR A 38 0.057 -12.948 2.751 1.00 0.00 C ATOM 570 OG1 THR A 38 1.113 -13.587 3.446 1.00 0.00 O ATOM 571 CG2 THR A 38 0.654 -11.816 1.943 1.00 0.00 C ATOM 0 H THR A 38 -2.107 -10.691 3.607 1.00 0.00 H new ATOM 0 HA THR A 38 -1.617 -13.357 4.033 1.00 0.00 H new ATOM 0 HB THR A 38 -0.438 -13.637 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.929 -14.547 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.419 -12.210 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.129 -11.336 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.102 -11.085 2.616 1.00 0.00 H new ATOM 579 N ASP A 39 -0.100 -12.690 5.956 1.00 0.00 N ATOM 580 CA ASP A 39 0.518 -12.212 7.188 1.00 0.00 C ATOM 581 C ASP A 39 1.984 -11.858 6.955 1.00 0.00 C ATOM 582 O ASP A 39 2.872 -12.690 7.139 1.00 0.00 O ATOM 583 CB ASP A 39 0.403 -13.269 8.288 1.00 0.00 C ATOM 584 CG ASP A 39 0.852 -14.639 7.825 1.00 0.00 C ATOM 585 OD1 ASP A 39 2.067 -14.923 7.899 1.00 0.00 O ATOM 586 OD2 ASP A 39 -0.010 -15.430 7.388 1.00 0.00 O ATOM 0 H ASP A 39 -0.282 -13.693 5.936 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.010 -11.313 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.004 -12.964 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.631 -13.325 8.627 1.00 0.00 H new ATOM 591 N THR A 40 2.226 -10.617 6.546 1.00 0.00 N ATOM 592 CA THR A 40 3.581 -10.144 6.284 1.00 0.00 C ATOM 593 C THR A 40 4.382 -10.031 7.579 1.00 0.00 C ATOM 594 O THR A 40 5.606 -10.155 7.576 1.00 0.00 O ATOM 595 CB THR A 40 3.536 -8.789 5.571 1.00 0.00 C ATOM 596 OG1 THR A 40 3.166 -7.762 6.474 1.00 0.00 O ATOM 597 CG2 THR A 40 2.564 -8.755 4.412 1.00 0.00 C ATOM 0 H THR A 40 1.499 -9.919 6.388 1.00 0.00 H new ATOM 0 HA THR A 40 4.077 -10.870 5.640 1.00 0.00 H new ATOM 0 HB THR A 40 4.542 -8.631 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.144 -6.904 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.581 -7.767 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.851 -9.505 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.558 -8.969 4.774 1.00 0.00 H new ATOM 605 N SER A 41 3.681 -9.796 8.685 1.00 0.00 N ATOM 606 CA SER A 41 4.324 -9.665 9.992 1.00 0.00 C ATOM 607 C SER A 41 5.245 -10.849 10.289 1.00 0.00 C ATOM 608 O SER A 41 6.130 -10.756 11.139 1.00 0.00 O ATOM 609 CB SER A 41 3.266 -9.545 11.090 1.00 0.00 C ATOM 610 OG SER A 41 2.468 -10.714 11.161 1.00 0.00 O ATOM 0 H SER A 41 2.666 -9.692 8.703 1.00 0.00 H new ATOM 0 HA SER A 41 4.933 -8.761 9.971 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.752 -9.374 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.632 -8.680 10.895 1.00 0.00 H new ATOM 0 HG SER A 41 1.801 -10.612 11.872 1.00 0.00 H new ATOM 616 N LEU A 42 5.032 -11.960 9.589 1.00 0.00 N ATOM 617 CA LEU A 42 5.847 -13.156 9.786 1.00 0.00 C ATOM 618 C LEU A 42 7.249 -12.980 9.197 1.00 0.00 C ATOM 619 O LEU A 42 8.123 -13.824 9.394 1.00 0.00 O ATOM 620 CB LEU A 42 5.159 -14.370 9.152 1.00 0.00 C ATOM 621 CG LEU A 42 4.917 -15.547 10.097 1.00 0.00 C ATOM 622 CD1 LEU A 42 6.238 -16.145 10.555 1.00 0.00 C ATOM 623 CD2 LEU A 42 4.083 -15.110 11.292 1.00 0.00 C ATOM 0 H LEU A 42 4.304 -12.057 8.882 1.00 0.00 H new ATOM 0 HA LEU A 42 5.952 -13.319 10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.201 -14.051 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.766 -14.715 8.315 1.00 0.00 H new ATOM 0 HG LEU A 42 4.364 -16.314 9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.045 -16.981 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.798 -16.497 9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.819 -15.386 11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.921 -15.961 11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.608 -14.324 11.834 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.121 -14.732 10.946 1.00 0.00 H new ATOM 635 N VAL A 43 7.453 -11.887 8.467 1.00 0.00 N ATOM 636 CA VAL A 43 8.741 -11.606 7.843 1.00 0.00 C ATOM 637 C VAL A 43 9.336 -10.298 8.371 1.00 0.00 C ATOM 638 O VAL A 43 8.638 -9.293 8.495 1.00 0.00 O ATOM 639 CB VAL A 43 8.593 -11.537 6.309 1.00 0.00 C ATOM 640 CG1 VAL A 43 9.826 -10.933 5.650 1.00 0.00 C ATOM 641 CG2 VAL A 43 8.305 -12.918 5.741 1.00 0.00 C ATOM 0 H VAL A 43 6.739 -11.179 8.293 1.00 0.00 H new ATOM 0 HA VAL A 43 9.421 -12.419 8.098 1.00 0.00 H new ATOM 0 HB VAL A 43 7.750 -10.882 6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.683 -10.902 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.980 -9.921 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.699 -11.543 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.203 -12.852 4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.126 -13.591 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.379 -13.302 6.170 1.00 0.00 H new ATOM 651 N GLU A 44 10.628 -10.328 8.686 1.00 0.00 N ATOM 652 CA GLU A 44 11.320 -9.152 9.209 1.00 0.00 C ATOM 653 C GLU A 44 11.701 -8.178 8.094 1.00 0.00 C ATOM 654 O GLU A 44 11.027 -7.173 7.878 1.00 0.00 O ATOM 655 CB GLU A 44 12.573 -9.578 9.977 1.00 0.00 C ATOM 656 CG GLU A 44 12.271 -10.328 11.263 1.00 0.00 C ATOM 657 CD GLU A 44 11.831 -9.409 12.385 1.00 0.00 C ATOM 658 OE1 GLU A 44 10.825 -8.691 12.205 1.00 0.00 O ATOM 659 OE2 GLU A 44 12.493 -9.405 13.444 1.00 0.00 O ATOM 0 H GLU A 44 11.218 -11.154 8.588 1.00 0.00 H new ATOM 0 HA GLU A 44 10.635 -8.638 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.187 -10.209 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.164 -8.693 10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.490 -11.065 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.159 -10.878 11.576 1.00 0.00 H new ATOM 666 N ALA A 45 12.795 -8.476 7.399 1.00 0.00 N ATOM 667 CA ALA A 45 13.283 -7.627 6.312 1.00 0.00 C ATOM 668 C ALA A 45 14.626 -8.136 5.797 1.00 0.00 C ATOM 669 O ALA A 45 15.657 -7.957 6.445 1.00 0.00 O ATOM 670 CB ALA A 45 13.410 -6.182 6.780 1.00 0.00 C ATOM 0 H ALA A 45 13.365 -9.304 7.570 1.00 0.00 H new ATOM 0 HA ALA A 45 12.561 -7.666 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.774 -5.564 5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.435 -5.817 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.112 -6.130 7.612 1.00 0.00 H new ATOM 676 N ALA A 46 14.605 -8.783 4.636 1.00 0.00 N ATOM 677 CA ALA A 46 15.819 -9.329 4.048 1.00 0.00 C ATOM 678 C ALA A 46 16.411 -8.403 2.995 1.00 0.00 C ATOM 679 O ALA A 46 17.623 -8.389 2.780 1.00 0.00 O ATOM 680 CB ALA A 46 15.536 -10.698 3.446 1.00 0.00 C ATOM 0 H ALA A 46 13.761 -8.941 4.086 1.00 0.00 H new ATOM 0 HA ALA A 46 16.556 -9.427 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.450 -11.099 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.181 -11.372 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.774 -10.605 2.672 1.00 0.00 H new ATOM 686 N GLU A 47 15.555 -7.639 2.330 1.00 0.00 N ATOM 687 CA GLU A 47 16.007 -6.726 1.289 1.00 0.00 C ATOM 688 C GLU A 47 15.358 -5.361 1.431 1.00 0.00 C ATOM 689 O GLU A 47 14.428 -5.188 2.213 1.00 0.00 O ATOM 690 CB GLU A 47 15.677 -7.298 -0.087 1.00 0.00 C ATOM 691 CG GLU A 47 15.981 -8.779 -0.219 1.00 0.00 C ATOM 692 CD GLU A 47 17.451 -9.056 -0.470 1.00 0.00 C ATOM 693 OE1 GLU A 47 17.855 -9.093 -1.651 1.00 0.00 O ATOM 694 OE2 GLU A 47 18.197 -9.238 0.515 1.00 0.00 O ATOM 0 H GLU A 47 14.548 -7.633 2.492 1.00 0.00 H new ATOM 0 HA GLU A 47 17.086 -6.610 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.620 -7.133 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.241 -6.751 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.669 -9.292 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.393 -9.195 -1.037 1.00 0.00 H new ATOM 701 N GLU A 48 15.851 -4.398 0.659 1.00 0.00 N ATOM 702 CA GLU A 48 15.305 -3.048 0.683 1.00 0.00 C ATOM 703 C GLU A 48 15.288 -2.443 -0.718 1.00 0.00 C ATOM 704 O GLU A 48 16.306 -2.423 -1.411 1.00 0.00 O ATOM 705 CB GLU A 48 16.108 -2.155 1.632 1.00 0.00 C ATOM 706 CG GLU A 48 15.265 -1.106 2.340 1.00 0.00 C ATOM 707 CD GLU A 48 15.667 -0.916 3.790 1.00 0.00 C ATOM 708 OE1 GLU A 48 16.123 -1.899 4.412 1.00 0.00 O ATOM 709 OE2 GLU A 48 15.526 0.213 4.303 1.00 0.00 O ATOM 0 H GLU A 48 16.627 -4.528 0.010 1.00 0.00 H new ATOM 0 HA GLU A 48 14.279 -3.109 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.597 -2.780 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.896 -1.656 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.357 -0.156 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.215 -1.396 2.293 1.00 0.00 H new ATOM 716 N ARG A 49 14.126 -1.943 -1.125 1.00 0.00 N ATOM 717 CA ARG A 49 13.970 -1.329 -2.437 1.00 0.00 C ATOM 718 C ARG A 49 13.278 0.023 -2.308 1.00 0.00 C ATOM 719 O ARG A 49 12.481 0.236 -1.396 1.00 0.00 O ATOM 720 CB ARG A 49 13.165 -2.243 -3.364 1.00 0.00 C ATOM 721 CG ARG A 49 11.743 -2.495 -2.890 1.00 0.00 C ATOM 722 CD ARG A 49 10.767 -1.491 -3.483 1.00 0.00 C ATOM 723 NE ARG A 49 10.161 -1.979 -4.722 1.00 0.00 N ATOM 724 CZ ARG A 49 10.576 -1.639 -5.942 1.00 0.00 C ATOM 725 NH1 ARG A 49 11.602 -0.812 -6.103 1.00 0.00 N ATOM 726 NH2 ARG A 49 9.960 -2.132 -7.009 1.00 0.00 N ATOM 0 H ARG A 49 13.276 -1.952 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 49 14.960 -1.180 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.134 -1.799 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.682 -3.198 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.440 -3.505 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.707 -2.439 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.983 -1.276 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.287 -0.553 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 49 9.371 -2.620 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.082 -0.430 -5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.911 -0.559 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.172 -2.769 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.275 -1.874 -7.944 1.00 0.00 H new ATOM 740 N ARG A 50 13.590 0.938 -3.219 1.00 0.00 N ATOM 741 CA ARG A 50 12.995 2.267 -3.190 1.00 0.00 C ATOM 742 C ARG A 50 12.132 2.515 -4.424 1.00 0.00 C ATOM 743 O ARG A 50 12.463 2.084 -5.529 1.00 0.00 O ATOM 744 CB ARG A 50 14.086 3.334 -3.095 1.00 0.00 C ATOM 745 CG ARG A 50 13.545 4.738 -2.874 1.00 0.00 C ATOM 746 CD ARG A 50 13.779 5.626 -4.086 1.00 0.00 C ATOM 747 NE ARG A 50 15.147 6.135 -4.137 1.00 0.00 N ATOM 748 CZ ARG A 50 15.707 6.648 -5.230 1.00 0.00 C ATOM 749 NH1 ARG A 50 15.021 6.724 -6.363 1.00 0.00 N ATOM 750 NH2 ARG A 50 16.958 7.088 -5.188 1.00 0.00 N ATOM 0 H ARG A 50 14.248 0.784 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 50 12.355 2.327 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.761 3.080 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 50 14.676 3.321 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.477 4.688 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.025 5.180 -2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.568 5.062 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.082 6.463 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 50 15.706 6.095 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.059 6.388 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.456 7.118 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.489 7.033 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.389 7.481 -6.025 1.00 0.00 H new ATOM 764 N VAL A 51 11.025 3.219 -4.220 1.00 0.00 N ATOM 765 CA VAL A 51 10.101 3.542 -5.297 1.00 0.00 C ATOM 766 C VAL A 51 9.855 5.045 -5.355 1.00 0.00 C ATOM 767 O VAL A 51 9.894 5.729 -4.333 1.00 0.00 O ATOM 768 CB VAL A 51 8.753 2.815 -5.122 1.00 0.00 C ATOM 769 CG1 VAL A 51 7.855 3.053 -6.327 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.973 1.326 -4.898 1.00 0.00 C ATOM 0 H VAL A 51 10.745 3.580 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 51 10.559 3.208 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 51 8.255 3.222 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.909 2.532 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.668 4.121 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.344 2.677 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.010 0.830 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.494 0.902 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.573 1.178 -4.000 1.00 0.00 H new ATOM 780 N GLU A 52 9.600 5.556 -6.554 1.00 0.00 N ATOM 781 CA GLU A 52 9.346 6.977 -6.738 1.00 0.00 C ATOM 782 C GLU A 52 8.018 7.185 -7.448 1.00 0.00 C ATOM 783 O GLU A 52 7.644 6.403 -8.322 1.00 0.00 O ATOM 784 CB GLU A 52 10.482 7.624 -7.536 1.00 0.00 C ATOM 785 CG GLU A 52 11.302 8.618 -6.730 1.00 0.00 C ATOM 786 CD GLU A 52 12.371 9.299 -7.560 1.00 0.00 C ATOM 787 OE1 GLU A 52 13.403 8.655 -7.844 1.00 0.00 O ATOM 788 OE2 GLU A 52 12.178 10.478 -7.926 1.00 0.00 O ATOM 0 H GLU A 52 9.564 5.006 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 52 9.297 7.452 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.142 6.842 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.062 8.132 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.639 9.373 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.771 8.102 -5.892 1.00 0.00 H new ATOM 795 N ILE A 53 7.303 8.231 -7.065 1.00 0.00 N ATOM 796 CA ILE A 53 6.011 8.521 -7.666 1.00 0.00 C ATOM 797 C ILE A 53 5.825 10.011 -7.902 1.00 0.00 C ATOM 798 O ILE A 53 6.383 10.839 -7.184 1.00 0.00 O ATOM 799 CB ILE A 53 4.843 8.008 -6.794 1.00 0.00 C ATOM 800 CG1 ILE A 53 5.343 7.102 -5.665 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.847 7.265 -7.659 1.00 0.00 C ATOM 802 CD1 ILE A 53 4.249 6.662 -4.719 1.00 0.00 C ATOM 0 H ILE A 53 7.594 8.891 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 53 5.999 7.999 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 53 4.356 8.869 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.814 6.220 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.112 7.629 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.025 6.905 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.458 7.936 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.340 6.418 -8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.673 6.023 -3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.793 7.538 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.491 6.107 -5.272 1.00 0.00 H new ATOM 814 N THR A 54 5.023 10.347 -8.905 1.00 0.00 N ATOM 815 CA THR A 54 4.750 11.740 -9.221 1.00 0.00 C ATOM 816 C THR A 54 3.260 12.030 -9.091 1.00 0.00 C ATOM 817 O THR A 54 2.444 11.503 -9.848 1.00 0.00 O ATOM 818 CB THR A 54 5.229 12.071 -10.634 1.00 0.00 C ATOM 819 OG1 THR A 54 6.460 11.428 -10.910 1.00 0.00 O ATOM 820 CG2 THR A 54 5.423 13.554 -10.868 1.00 0.00 C ATOM 0 H THR A 54 4.552 9.675 -9.511 1.00 0.00 H new ATOM 0 HA THR A 54 5.293 12.367 -8.513 1.00 0.00 H new ATOM 0 HB THR A 54 4.440 11.715 -11.297 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.749 11.651 -11.820 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.764 13.720 -11.890 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.478 14.074 -10.712 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.168 13.938 -10.171 1.00 0.00 H new ATOM 828 N SER A 55 2.917 12.875 -8.130 1.00 0.00 N ATOM 829 CA SER A 55 1.531 13.252 -7.890 1.00 0.00 C ATOM 830 C SER A 55 1.363 14.756 -8.040 1.00 0.00 C ATOM 831 O SER A 55 2.341 15.499 -8.022 1.00 0.00 O ATOM 832 CB SER A 55 1.089 12.807 -6.493 1.00 0.00 C ATOM 833 OG SER A 55 0.050 13.633 -5.993 1.00 0.00 O ATOM 0 H SER A 55 3.586 13.316 -7.499 1.00 0.00 H new ATOM 0 HA SER A 55 0.903 12.752 -8.628 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.748 11.772 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.940 12.838 -5.813 1.00 0.00 H new ATOM 0 HG SER A 55 0.197 13.801 -5.039 1.00 0.00 H new ATOM 839 N GLU A 56 0.123 15.203 -8.185 1.00 0.00 N ATOM 840 CA GLU A 56 -0.157 16.624 -8.333 1.00 0.00 C ATOM 841 C GLU A 56 -1.554 16.965 -7.826 1.00 0.00 C ATOM 842 O GLU A 56 -2.145 17.964 -8.234 1.00 0.00 O ATOM 843 CB GLU A 56 -0.011 17.042 -9.797 1.00 0.00 C ATOM 844 CG GLU A 56 1.249 16.507 -10.456 1.00 0.00 C ATOM 845 CD GLU A 56 1.523 17.150 -11.801 1.00 0.00 C ATOM 846 OE1 GLU A 56 1.237 18.356 -11.951 1.00 0.00 O ATOM 847 OE2 GLU A 56 2.026 16.448 -12.703 1.00 0.00 O ATOM 0 H GLU A 56 -0.702 14.604 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 56 0.566 17.175 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.880 16.693 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.009 18.130 -9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.100 16.677 -9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.157 15.429 -10.585 1.00 0.00 H new ATOM 854 N ASP A 57 -2.080 16.128 -6.935 1.00 0.00 N ATOM 855 CA ASP A 57 -3.410 16.352 -6.381 1.00 0.00 C ATOM 856 C ASP A 57 -3.654 15.518 -5.120 1.00 0.00 C ATOM 857 O ASP A 57 -4.798 15.361 -4.696 1.00 0.00 O ATOM 858 CB ASP A 57 -4.473 16.027 -7.431 1.00 0.00 C ATOM 859 CG ASP A 57 -5.670 16.955 -7.348 1.00 0.00 C ATOM 860 OD1 ASP A 57 -6.095 17.276 -6.218 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.181 17.360 -8.413 1.00 0.00 O ATOM 0 H ASP A 57 -1.608 15.294 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.477 17.403 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.031 16.096 -8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.805 14.997 -7.301 1.00 0.00 H new ATOM 866 N ARG A 58 -2.581 14.995 -4.520 1.00 0.00 N ATOM 867 CA ARG A 58 -2.695 14.188 -3.303 1.00 0.00 C ATOM 868 C ARG A 58 -3.458 12.887 -3.567 1.00 0.00 C ATOM 869 O ARG A 58 -2.897 11.796 -3.465 1.00 0.00 O ATOM 870 CB ARG A 58 -3.384 15.000 -2.195 1.00 0.00 C ATOM 871 CG ARG A 58 -4.024 14.151 -1.104 1.00 0.00 C ATOM 872 CD ARG A 58 -4.408 14.991 0.103 1.00 0.00 C ATOM 873 NE ARG A 58 -5.810 15.404 0.063 1.00 0.00 N ATOM 874 CZ ARG A 58 -6.250 16.486 -0.578 1.00 0.00 C ATOM 875 NH1 ARG A 58 -5.406 17.265 -1.243 1.00 0.00 N ATOM 876 NH2 ARG A 58 -7.541 16.789 -0.556 1.00 0.00 N ATOM 0 H ARG A 58 -1.626 15.116 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.690 13.922 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.651 15.666 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.150 15.631 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.910 13.655 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.331 13.368 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.224 14.421 1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.771 15.875 0.146 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.493 14.829 0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.412 17.037 -1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.751 18.091 -1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.196 16.194 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.879 17.617 -1.046 1.00 0.00 H new ATOM 890 N VAL A 59 -4.740 13.012 -3.894 1.00 0.00 N ATOM 891 CA VAL A 59 -5.589 11.854 -4.158 1.00 0.00 C ATOM 892 C VAL A 59 -4.990 10.941 -5.227 1.00 0.00 C ATOM 893 O VAL A 59 -4.944 9.723 -5.056 1.00 0.00 O ATOM 894 CB VAL A 59 -6.999 12.293 -4.605 1.00 0.00 C ATOM 895 CG1 VAL A 59 -6.920 13.175 -5.842 1.00 0.00 C ATOM 896 CG2 VAL A 59 -7.890 11.084 -4.861 1.00 0.00 C ATOM 0 H VAL A 59 -5.217 13.909 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.658 11.298 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.444 12.875 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.925 13.474 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.329 14.063 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.450 12.621 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.878 11.420 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.450 10.468 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.980 10.498 -3.946 1.00 0.00 H new ATOM 906 N SER A 60 -4.543 11.530 -6.329 1.00 0.00 N ATOM 907 CA SER A 60 -3.961 10.760 -7.423 1.00 0.00 C ATOM 908 C SER A 60 -2.772 9.932 -6.950 1.00 0.00 C ATOM 909 O SER A 60 -2.550 8.823 -7.436 1.00 0.00 O ATOM 910 CB SER A 60 -3.531 11.691 -8.559 1.00 0.00 C ATOM 911 OG SER A 60 -4.569 11.850 -9.510 1.00 0.00 O ATOM 0 H SER A 60 -4.572 12.537 -6.490 1.00 0.00 H new ATOM 0 HA SER A 60 -4.726 10.075 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.255 12.664 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.644 11.287 -9.048 1.00 0.00 H new ATOM 0 HG SER A 60 -4.269 12.451 -10.224 1.00 0.00 H new ATOM 917 N LEU A 61 -2.007 10.468 -6.003 1.00 0.00 N ATOM 918 CA LEU A 61 -0.847 9.755 -5.481 1.00 0.00 C ATOM 919 C LEU A 61 -1.244 8.366 -4.994 1.00 0.00 C ATOM 920 O LEU A 61 -0.636 7.370 -5.376 1.00 0.00 O ATOM 921 CB LEU A 61 -0.191 10.545 -4.346 1.00 0.00 C ATOM 922 CG LEU A 61 1.219 10.085 -3.947 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.152 8.884 -3.016 1.00 0.00 C ATOM 924 CD2 LEU A 61 2.055 9.759 -5.179 1.00 0.00 C ATOM 0 H LEU A 61 -2.168 11.385 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.125 9.647 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.143 11.594 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.835 10.488 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 61 1.701 10.905 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.162 8.576 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.602 9.153 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.644 8.062 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.049 9.436 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.574 8.961 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.141 10.647 -5.806 1.00 0.00 H new ATOM 936 N LEU A 62 -2.275 8.306 -4.154 1.00 0.00 N ATOM 937 CA LEU A 62 -2.757 7.032 -3.626 1.00 0.00 C ATOM 938 C LEU A 62 -3.137 6.095 -4.767 1.00 0.00 C ATOM 939 O LEU A 62 -2.905 4.888 -4.703 1.00 0.00 O ATOM 940 CB LEU A 62 -3.969 7.255 -2.711 1.00 0.00 C ATOM 941 CG LEU A 62 -4.223 6.169 -1.653 1.00 0.00 C ATOM 942 CD1 LEU A 62 -3.759 4.804 -2.147 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.528 6.527 -0.348 1.00 0.00 C ATOM 0 H LEU A 62 -2.791 9.122 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.955 6.576 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.843 8.210 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.859 7.342 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.297 6.116 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.951 4.055 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.303 4.541 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.691 4.839 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.718 5.748 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.455 6.612 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.913 7.478 0.020 1.00 0.00 H new ATOM 955 N TYR A 63 -3.722 6.666 -5.814 1.00 0.00 N ATOM 956 CA TYR A 63 -4.141 5.894 -6.976 1.00 0.00 C ATOM 957 C TYR A 63 -2.953 5.198 -7.634 1.00 0.00 C ATOM 958 O TYR A 63 -3.082 4.091 -8.156 1.00 0.00 O ATOM 959 CB TYR A 63 -4.844 6.801 -7.988 1.00 0.00 C ATOM 960 CG TYR A 63 -6.343 6.608 -8.032 1.00 0.00 C ATOM 961 CD1 TYR A 63 -6.912 5.600 -8.800 1.00 0.00 C ATOM 962 CD2 TYR A 63 -7.190 7.435 -7.305 1.00 0.00 C ATOM 963 CE1 TYR A 63 -8.281 5.421 -8.843 1.00 0.00 C ATOM 964 CE2 TYR A 63 -8.562 7.262 -7.342 1.00 0.00 C ATOM 965 CZ TYR A 63 -9.101 6.254 -8.112 1.00 0.00 C ATOM 966 OH TYR A 63 -10.466 6.078 -8.152 1.00 0.00 O ATOM 0 H TYR A 63 -3.917 7.665 -5.881 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.838 5.128 -6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.627 7.841 -7.744 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.432 6.613 -8.980 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.273 4.945 -9.373 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.770 8.226 -6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.707 4.633 -9.446 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.207 7.913 -6.771 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.671 5.121 -8.209 1.00 0.00 H new ATOM 976 N ASP A 64 -1.799 5.858 -7.617 1.00 0.00 N ATOM 977 CA ASP A 64 -0.594 5.302 -8.224 1.00 0.00 C ATOM 978 C ASP A 64 0.314 4.654 -7.180 1.00 0.00 C ATOM 979 O ASP A 64 1.143 3.806 -7.513 1.00 0.00 O ATOM 980 CB ASP A 64 0.173 6.395 -8.972 1.00 0.00 C ATOM 981 CG ASP A 64 1.086 5.832 -10.042 1.00 0.00 C ATOM 982 OD1 ASP A 64 0.579 5.465 -11.122 1.00 0.00 O ATOM 983 OD2 ASP A 64 2.309 5.757 -9.799 1.00 0.00 O ATOM 0 H ASP A 64 -1.673 6.776 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.905 4.529 -8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.536 7.084 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.764 6.972 -8.261 1.00 0.00 H new ATOM 988 N TRP A 65 0.163 5.056 -5.922 1.00 0.00 N ATOM 989 CA TRP A 65 0.984 4.507 -4.849 1.00 0.00 C ATOM 990 C TRP A 65 0.741 3.012 -4.689 1.00 0.00 C ATOM 991 O TRP A 65 1.679 2.214 -4.711 1.00 0.00 O ATOM 992 CB TRP A 65 0.694 5.230 -3.530 1.00 0.00 C ATOM 993 CG TRP A 65 1.352 4.596 -2.339 1.00 0.00 C ATOM 994 CD1 TRP A 65 0.802 4.406 -1.104 1.00 0.00 C ATOM 995 CD2 TRP A 65 2.685 4.066 -2.268 1.00 0.00 C ATOM 996 NE1 TRP A 65 1.706 3.793 -0.273 1.00 0.00 N ATOM 997 CE2 TRP A 65 2.868 3.576 -0.962 1.00 0.00 C ATOM 998 CE3 TRP A 65 3.739 3.960 -3.180 1.00 0.00 C ATOM 999 CZ2 TRP A 65 4.061 2.989 -0.547 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 4.922 3.377 -2.767 1.00 0.00 C ATOM 1001 CH2 TRP A 65 5.075 2.898 -1.461 1.00 0.00 C ATOM 0 H TRP A 65 -0.516 5.756 -5.622 1.00 0.00 H new ATOM 0 HA TRP A 65 2.030 4.660 -5.113 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.028 6.264 -3.611 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.384 5.255 -3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -0.199 4.696 -0.822 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.539 3.540 0.701 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.631 4.327 -4.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.181 2.619 0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.742 3.290 -3.464 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.012 2.448 -1.169 1.00 0.00 H new ATOM 1012 N LEU A 66 -0.521 2.638 -4.531 1.00 0.00 N ATOM 1013 CA LEU A 66 -0.885 1.238 -4.371 1.00 0.00 C ATOM 1014 C LEU A 66 -0.756 0.493 -5.690 1.00 0.00 C ATOM 1015 O LEU A 66 -0.249 -0.625 -5.727 1.00 0.00 O ATOM 1016 CB LEU A 66 -2.310 1.117 -3.825 1.00 0.00 C ATOM 1017 CG LEU A 66 -2.513 0.032 -2.764 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -3.987 -0.105 -2.417 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -1.951 -1.298 -3.245 1.00 0.00 C ATOM 0 H LEU A 66 -1.310 3.285 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.198 0.785 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.601 2.077 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.985 0.919 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.974 0.326 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.112 -0.881 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.359 0.843 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.548 -0.376 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.105 -2.057 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.461 -1.599 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.884 -1.192 -3.442 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.204 1.116 -6.777 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.112 0.493 -8.092 1.00 0.00 C ATOM 1033 C ASP A 67 0.308 -0.004 -8.327 1.00 0.00 C ATOM 1034 O ASP A 67 0.524 -1.040 -8.956 1.00 0.00 O ATOM 1035 CB ASP A 67 -1.517 1.485 -9.186 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.820 1.101 -9.861 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -2.874 0.010 -10.467 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -3.783 1.890 -9.783 1.00 0.00 O ATOM 0 H ASP A 67 -1.630 2.043 -6.773 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.797 -0.354 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.615 2.480 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.726 1.540 -9.934 1.00 0.00 H new ATOM 1043 N GLU A 68 1.272 0.737 -7.790 1.00 0.00 N ATOM 1044 CA GLU A 68 2.674 0.371 -7.907 1.00 0.00 C ATOM 1045 C GLU A 68 2.949 -0.893 -7.102 1.00 0.00 C ATOM 1046 O GLU A 68 3.609 -1.817 -7.576 1.00 0.00 O ATOM 1047 CB GLU A 68 3.557 1.515 -7.402 1.00 0.00 C ATOM 1048 CG GLU A 68 4.701 1.862 -8.341 1.00 0.00 C ATOM 1049 CD GLU A 68 4.223 2.489 -9.636 1.00 0.00 C ATOM 1050 OE1 GLU A 68 3.840 1.735 -10.555 1.00 0.00 O ATOM 1051 OE2 GLU A 68 4.234 3.734 -9.732 1.00 0.00 O ATOM 0 H GLU A 68 1.104 1.597 -7.268 1.00 0.00 H new ATOM 0 HA GLU A 68 2.905 0.182 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.939 2.401 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.966 1.244 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.382 2.549 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.268 0.959 -8.567 1.00 0.00 H new ATOM 1058 N LEU A 69 2.428 -0.920 -5.879 1.00 0.00 N ATOM 1059 CA LEU A 69 2.603 -2.064 -4.994 1.00 0.00 C ATOM 1060 C LEU A 69 1.767 -3.252 -5.467 1.00 0.00 C ATOM 1061 O LEU A 69 2.146 -4.407 -5.279 1.00 0.00 O ATOM 1062 CB LEU A 69 2.224 -1.691 -3.558 1.00 0.00 C ATOM 1063 CG LEU A 69 3.386 -1.207 -2.687 1.00 0.00 C ATOM 1064 CD1 LEU A 69 4.531 -2.210 -2.713 1.00 0.00 C ATOM 1065 CD2 LEU A 69 3.864 0.161 -3.149 1.00 0.00 C ATOM 0 H LEU A 69 1.879 -0.159 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 69 3.654 -2.353 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.464 -0.910 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.769 -2.559 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 69 3.031 -1.120 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.347 -1.847 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.182 -3.170 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.885 -2.332 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.690 0.490 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.200 0.099 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.045 0.876 -3.076 1.00 0.00 H new ATOM 1077 N LEU A 70 0.623 -2.953 -6.070 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.284 -3.981 -6.563 1.00 0.00 C ATOM 1079 C LEU A 70 0.354 -4.813 -7.672 1.00 0.00 C ATOM 1080 O LEU A 70 0.359 -6.043 -7.614 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.575 -3.339 -7.077 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.845 -4.161 -6.845 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.837 -5.410 -7.712 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -2.986 -4.526 -5.375 1.00 0.00 C ATOM 0 H LEU A 70 0.300 -1.999 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.511 -4.647 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.696 -2.368 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.470 -3.155 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.705 -3.554 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.747 -5.982 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.788 -5.123 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.970 -6.021 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.895 -5.110 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.123 -5.114 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.041 -3.616 -4.778 1.00 0.00 H new ATOM 1096 N PHE A 71 0.876 -4.137 -8.689 1.00 0.00 N ATOM 1097 CA PHE A 71 1.499 -4.817 -9.821 1.00 0.00 C ATOM 1098 C PHE A 71 2.639 -5.730 -9.373 1.00 0.00 C ATOM 1099 O PHE A 71 2.673 -6.908 -9.727 1.00 0.00 O ATOM 1100 CB PHE A 71 2.023 -3.791 -10.828 1.00 0.00 C ATOM 1101 CG PHE A 71 1.828 -4.204 -12.260 1.00 0.00 C ATOM 1102 CD1 PHE A 71 2.642 -5.165 -12.834 1.00 0.00 C ATOM 1103 CD2 PHE A 71 0.828 -3.630 -13.028 1.00 0.00 C ATOM 1104 CE1 PHE A 71 2.463 -5.547 -14.151 1.00 0.00 C ATOM 1105 CE2 PHE A 71 0.645 -4.006 -14.345 1.00 0.00 C ATOM 1106 CZ PHE A 71 1.464 -4.966 -14.907 1.00 0.00 C ATOM 0 H PHE A 71 0.881 -3.119 -8.754 1.00 0.00 H new ATOM 0 HA PHE A 71 0.737 -5.437 -10.293 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.519 -2.839 -10.661 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.085 -3.626 -10.647 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.425 -5.621 -12.247 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.184 -2.880 -12.592 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.104 -6.299 -14.588 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.137 -3.550 -14.934 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.323 -5.262 -15.936 1.00 0.00 H new ATOM 1116 N ILE A 72 3.573 -5.181 -8.604 1.00 0.00 N ATOM 1117 CA ILE A 72 4.716 -5.953 -8.125 1.00 0.00 C ATOM 1118 C ILE A 72 4.287 -7.078 -7.194 1.00 0.00 C ATOM 1119 O ILE A 72 4.768 -8.205 -7.307 1.00 0.00 O ATOM 1120 CB ILE A 72 5.741 -5.059 -7.399 1.00 0.00 C ATOM 1121 CG1 ILE A 72 5.058 -4.237 -6.302 1.00 0.00 C ATOM 1122 CG2 ILE A 72 6.447 -4.147 -8.391 1.00 0.00 C ATOM 1123 CD1 ILE A 72 5.236 -4.813 -4.915 1.00 0.00 C ATOM 0 H ILE A 72 3.562 -4.208 -8.299 1.00 0.00 H new ATOM 0 HA ILE A 72 5.184 -6.386 -9.009 1.00 0.00 H new ATOM 0 HB ILE A 72 6.487 -5.701 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.456 -3.222 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.993 -4.166 -6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.167 -3.523 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.967 -4.751 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.713 -3.513 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.726 -4.179 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.812 -5.817 -4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.298 -4.859 -4.674 1.00 0.00 H new ATOM 1135 N HIS A 73 3.381 -6.777 -6.273 1.00 0.00 N ATOM 1136 CA HIS A 73 2.899 -7.778 -5.331 1.00 0.00 C ATOM 1137 C HIS A 73 2.416 -9.026 -6.066 1.00 0.00 C ATOM 1138 O HIS A 73 2.769 -10.149 -5.706 1.00 0.00 O ATOM 1139 CB HIS A 73 1.763 -7.206 -4.480 1.00 0.00 C ATOM 1140 CG HIS A 73 2.236 -6.345 -3.351 1.00 0.00 C ATOM 1141 ND1 HIS A 73 1.392 -5.539 -2.615 1.00 0.00 N ATOM 1142 CD2 HIS A 73 3.473 -6.165 -2.830 1.00 0.00 C ATOM 1143 CE1 HIS A 73 2.090 -4.902 -1.692 1.00 0.00 C ATOM 1144 NE2 HIS A 73 3.354 -5.266 -1.800 1.00 0.00 N ATOM 0 H HIS A 73 2.967 -5.852 -6.158 1.00 0.00 H new ATOM 0 HA HIS A 73 3.728 -8.055 -4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.100 -6.622 -5.119 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.173 -8.029 -4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.384 -6.640 -3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.694 -4.202 -0.971 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.119 -4.933 -1.213 1.00 0.00 H new ATOM 1153 N ASP A 74 1.598 -8.816 -7.091 1.00 0.00 N ATOM 1154 CA ASP A 74 1.050 -9.916 -7.875 1.00 0.00 C ATOM 1155 C ASP A 74 2.090 -10.548 -8.798 1.00 0.00 C ATOM 1156 O ASP A 74 1.999 -11.734 -9.114 1.00 0.00 O ATOM 1157 CB ASP A 74 -0.157 -9.441 -8.688 1.00 0.00 C ATOM 1158 CG ASP A 74 -1.376 -10.317 -8.475 1.00 0.00 C ATOM 1159 OD1 ASP A 74 -1.227 -11.557 -8.491 1.00 0.00 O ATOM 1160 OD2 ASP A 74 -2.480 -9.763 -8.292 1.00 0.00 O ATOM 0 H ASP A 74 1.299 -7.891 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 74 0.733 -10.684 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.397 -8.415 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.101 -9.433 -9.747 1.00 0.00 H new ATOM 1165 N THR A 75 3.070 -9.764 -9.239 1.00 0.00 N ATOM 1166 CA THR A 75 4.100 -10.286 -10.134 1.00 0.00 C ATOM 1167 C THR A 75 4.941 -11.369 -9.457 1.00 0.00 C ATOM 1168 O THR A 75 5.830 -11.949 -10.081 1.00 0.00 O ATOM 1169 CB THR A 75 5.006 -9.164 -10.646 1.00 0.00 C ATOM 1170 OG1 THR A 75 5.610 -8.472 -9.573 1.00 0.00 O ATOM 1171 CG2 THR A 75 4.280 -8.149 -11.501 1.00 0.00 C ATOM 0 H THR A 75 3.173 -8.779 -8.996 1.00 0.00 H new ATOM 0 HA THR A 75 3.585 -10.736 -10.983 1.00 0.00 H new ATOM 0 HB THR A 75 5.756 -9.662 -11.261 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.253 -8.808 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.981 -7.382 -11.830 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.851 -8.646 -12.371 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.483 -7.686 -10.919 1.00 0.00 H new ATOM 1179 N GLU A 76 4.658 -11.639 -8.182 1.00 0.00 N ATOM 1180 CA GLU A 76 5.388 -12.652 -7.424 1.00 0.00 C ATOM 1181 C GLU A 76 6.710 -12.090 -6.936 1.00 0.00 C ATOM 1182 O GLU A 76 7.751 -12.742 -7.022 1.00 0.00 O ATOM 1183 CB GLU A 76 5.625 -13.909 -8.269 1.00 0.00 C ATOM 1184 CG GLU A 76 5.714 -15.186 -7.449 1.00 0.00 C ATOM 1185 CD GLU A 76 4.369 -15.623 -6.902 1.00 0.00 C ATOM 1186 OE1 GLU A 76 3.770 -14.858 -6.117 1.00 0.00 O ATOM 1187 OE2 GLU A 76 3.914 -16.731 -7.260 1.00 0.00 O ATOM 0 H GLU A 76 3.925 -11.167 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 76 4.782 -12.933 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.816 -14.008 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.548 -13.787 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.127 -15.983 -8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.407 -15.034 -6.621 1.00 0.00 H new ATOM 1194 N PHE A 77 6.659 -10.866 -6.431 1.00 0.00 N ATOM 1195 CA PHE A 77 7.857 -10.199 -5.930 1.00 0.00 C ATOM 1196 C PHE A 77 8.158 -10.582 -4.486 1.00 0.00 C ATOM 1197 O PHE A 77 9.057 -11.381 -4.219 1.00 0.00 O ATOM 1198 CB PHE A 77 7.704 -8.685 -6.033 1.00 0.00 C ATOM 1199 CG PHE A 77 8.502 -8.077 -7.149 1.00 0.00 C ATOM 1200 CD1 PHE A 77 9.881 -8.219 -7.189 1.00 0.00 C ATOM 1201 CD2 PHE A 77 7.877 -7.364 -8.158 1.00 0.00 C ATOM 1202 CE1 PHE A 77 10.619 -7.661 -8.215 1.00 0.00 C ATOM 1203 CE2 PHE A 77 8.610 -6.804 -9.187 1.00 0.00 C ATOM 1204 CZ PHE A 77 9.984 -6.952 -9.216 1.00 0.00 C ATOM 0 H PHE A 77 5.805 -10.314 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 77 8.692 -10.527 -6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.651 -8.443 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 77 8.009 -8.232 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.384 -8.772 -6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.804 -7.244 -8.141 1.00 0.00 H new ATOM 0 HE1 PHE A 77 11.692 -7.779 -8.234 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.110 -6.251 -9.968 1.00 0.00 H new ATOM 0 HZ PHE A 77 10.559 -6.515 -10.019 1.00 0.00 H new ATOM 1214 N ILE A 78 7.417 -9.989 -3.554 1.00 0.00 N ATOM 1215 CA ILE A 78 7.627 -10.251 -2.135 1.00 0.00 C ATOM 1216 C ILE A 78 6.314 -10.556 -1.413 1.00 0.00 C ATOM 1217 O ILE A 78 5.249 -10.089 -1.814 1.00 0.00 O ATOM 1218 CB ILE A 78 8.330 -9.051 -1.453 1.00 0.00 C ATOM 1219 CG1 ILE A 78 7.326 -7.947 -1.097 1.00 0.00 C ATOM 1220 CG2 ILE A 78 9.416 -8.493 -2.364 1.00 0.00 C ATOM 1221 CD1 ILE A 78 6.591 -7.388 -2.295 1.00 0.00 C ATOM 0 H ILE A 78 6.668 -9.326 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 78 8.267 -11.131 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 78 8.783 -9.408 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.599 -8.343 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.853 -7.136 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.904 -7.650 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.153 -9.269 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.969 -8.160 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.898 -6.613 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.309 -6.961 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.035 -8.187 -2.786 1.00 0.00 H new ATOM 1233 N LEU A 79 6.407 -11.331 -0.336 1.00 0.00 N ATOM 1234 CA LEU A 79 5.234 -11.686 0.456 1.00 0.00 C ATOM 1235 C LEU A 79 4.990 -10.634 1.531 1.00 0.00 C ATOM 1236 O LEU A 79 3.851 -10.253 1.801 1.00 0.00 O ATOM 1237 CB LEU A 79 5.418 -13.061 1.101 1.00 0.00 C ATOM 1238 CG LEU A 79 4.264 -13.514 1.996 1.00 0.00 C ATOM 1239 CD1 LEU A 79 3.204 -14.237 1.177 1.00 0.00 C ATOM 1240 CD2 LEU A 79 4.778 -14.409 3.114 1.00 0.00 C ATOM 0 H LEU A 79 7.283 -11.725 0.008 1.00 0.00 H new ATOM 0 HA LEU A 79 4.369 -11.726 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.558 -13.800 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.334 -13.049 1.692 1.00 0.00 H new ATOM 0 HG LEU A 79 3.808 -12.631 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.391 -14.552 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.815 -13.566 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.646 -15.112 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.944 -14.723 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.259 -15.288 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.500 -13.859 3.718 1.00 0.00 H new ATOM 1252 N PHE A 80 6.077 -10.157 2.130 1.00 0.00 N ATOM 1253 CA PHE A 80 6.004 -9.134 3.164 1.00 0.00 C ATOM 1254 C PHE A 80 6.776 -7.902 2.726 1.00 0.00 C ATOM 1255 O PHE A 80 7.815 -8.014 2.075 1.00 0.00 O ATOM 1256 CB PHE A 80 6.579 -9.659 4.488 1.00 0.00 C ATOM 1257 CG PHE A 80 7.306 -8.612 5.298 1.00 0.00 C ATOM 1258 CD1 PHE A 80 8.616 -8.275 4.998 1.00 0.00 C ATOM 1259 CD2 PHE A 80 6.677 -7.958 6.348 1.00 0.00 C ATOM 1260 CE1 PHE A 80 9.285 -7.310 5.728 1.00 0.00 C ATOM 1261 CE2 PHE A 80 7.341 -6.995 7.081 1.00 0.00 C ATOM 1262 CZ PHE A 80 8.645 -6.669 6.771 1.00 0.00 C ATOM 0 H PHE A 80 7.025 -10.466 1.914 1.00 0.00 H new ATOM 0 HA PHE A 80 4.957 -8.873 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.767 -10.069 5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 80 7.264 -10.480 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.121 -8.773 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.655 -8.206 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.306 -7.058 5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.839 -6.497 7.897 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.165 -5.914 7.343 1.00 0.00 H new ATOM 1272 N SER A 81 6.283 -6.728 3.090 1.00 0.00 N ATOM 1273 CA SER A 81 6.969 -5.504 2.725 1.00 0.00 C ATOM 1274 C SER A 81 6.663 -4.364 3.688 1.00 0.00 C ATOM 1275 O SER A 81 5.503 -4.062 3.966 1.00 0.00 O ATOM 1276 CB SER A 81 6.601 -5.097 1.297 1.00 0.00 C ATOM 1277 OG SER A 81 7.752 -5.032 0.473 1.00 0.00 O ATOM 0 H SER A 81 5.426 -6.600 3.628 1.00 0.00 H new ATOM 0 HA SER A 81 8.039 -5.703 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.893 -5.814 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.103 -4.128 1.309 1.00 0.00 H new ATOM 0 HG SER A 81 7.490 -4.772 -0.435 1.00 0.00 H new ATOM 1283 N LYS A 82 7.718 -3.703 4.158 1.00 0.00 N ATOM 1284 CA LYS A 82 7.568 -2.561 5.045 1.00 0.00 C ATOM 1285 C LYS A 82 7.373 -1.323 4.186 1.00 0.00 C ATOM 1286 O LYS A 82 8.134 -1.095 3.249 1.00 0.00 O ATOM 1287 CB LYS A 82 8.796 -2.400 5.942 1.00 0.00 C ATOM 1288 CG LYS A 82 8.477 -1.819 7.310 1.00 0.00 C ATOM 1289 CD LYS A 82 8.334 -0.307 7.254 1.00 0.00 C ATOM 1290 CE LYS A 82 9.589 0.390 7.756 1.00 0.00 C ATOM 1291 NZ LYS A 82 9.623 0.467 9.243 1.00 0.00 N ATOM 0 H LYS A 82 8.685 -3.942 3.937 1.00 0.00 H new ATOM 0 HA LYS A 82 6.707 -2.710 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.272 -3.372 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.519 -1.755 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.554 -2.259 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.267 -2.085 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.130 0.003 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.479 0.001 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.469 -0.145 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.637 1.396 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.494 0.949 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.797 1.000 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.603 -0.494 9.641 1.00 0.00 H new ATOM 1305 N PHE A 83 6.336 -0.548 4.462 1.00 0.00 N ATOM 1306 CA PHE A 83 6.059 0.622 3.644 1.00 0.00 C ATOM 1307 C PHE A 83 6.427 1.931 4.322 1.00 0.00 C ATOM 1308 O PHE A 83 5.913 2.278 5.385 1.00 0.00 O ATOM 1309 CB PHE A 83 4.584 0.645 3.245 1.00 0.00 C ATOM 1310 CG PHE A 83 4.108 -0.642 2.633 1.00 0.00 C ATOM 1311 CD1 PHE A 83 4.611 -1.073 1.417 1.00 0.00 C ATOM 1312 CD2 PHE A 83 3.161 -1.422 3.277 1.00 0.00 C ATOM 1313 CE1 PHE A 83 4.176 -2.257 0.851 1.00 0.00 C ATOM 1314 CE2 PHE A 83 2.722 -2.606 2.717 1.00 0.00 C ATOM 1315 CZ PHE A 83 3.231 -3.026 1.503 1.00 0.00 C ATOM 0 H PHE A 83 5.684 -0.703 5.231 1.00 0.00 H new ATOM 0 HA PHE A 83 6.689 0.537 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.981 0.864 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.420 1.457 2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.352 -0.477 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.762 -1.101 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.574 -2.580 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.981 -3.203 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.891 -3.953 1.065 1.00 0.00 H new ATOM 1325 N LYS A 84 7.290 2.671 3.641 1.00 0.00 N ATOM 1326 CA LYS A 84 7.727 3.981 4.082 1.00 0.00 C ATOM 1327 C LYS A 84 7.613 4.920 2.888 1.00 0.00 C ATOM 1328 O LYS A 84 8.292 4.727 1.886 1.00 0.00 O ATOM 1329 CB LYS A 84 9.166 3.919 4.625 1.00 0.00 C ATOM 1330 CG LYS A 84 10.165 4.799 3.886 1.00 0.00 C ATOM 1331 CD LYS A 84 11.467 4.945 4.662 1.00 0.00 C ATOM 1332 CE LYS A 84 12.070 3.593 5.014 1.00 0.00 C ATOM 1333 NZ LYS A 84 12.060 3.346 6.483 1.00 0.00 N ATOM 0 H LYS A 84 7.708 2.373 2.760 1.00 0.00 H new ATOM 0 HA LYS A 84 7.106 4.345 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.156 4.208 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.512 2.886 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.372 4.371 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.729 5.784 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.181 5.518 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.284 5.510 5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.512 2.804 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.094 3.545 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.479 2.415 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.614 4.084 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.080 3.366 6.832 1.00 0.00 H new ATOM 1347 N VAL A 85 6.731 5.902 2.977 1.00 0.00 N ATOM 1348 CA VAL A 85 6.518 6.822 1.866 1.00 0.00 C ATOM 1349 C VAL A 85 7.001 8.227 2.194 1.00 0.00 C ATOM 1350 O VAL A 85 7.021 8.646 3.350 1.00 0.00 O ATOM 1351 CB VAL A 85 5.037 6.842 1.392 1.00 0.00 C ATOM 1352 CG1 VAL A 85 4.305 5.581 1.821 1.00 0.00 C ATOM 1353 CG2 VAL A 85 4.291 8.059 1.900 1.00 0.00 C ATOM 0 H VAL A 85 6.154 6.084 3.798 1.00 0.00 H new ATOM 0 HA VAL A 85 7.119 6.446 1.038 1.00 0.00 H new ATOM 0 HB VAL A 85 5.063 6.888 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.272 5.624 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.796 4.710 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.321 5.503 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.261 8.030 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.298 8.061 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.776 8.963 1.532 1.00 0.00 H new ATOM 1363 N LYS A 86 7.423 8.926 1.153 1.00 0.00 N ATOM 1364 CA LYS A 86 7.946 10.272 1.279 1.00 0.00 C ATOM 1365 C LYS A 86 7.211 11.226 0.341 1.00 0.00 C ATOM 1366 O LYS A 86 7.251 11.051 -0.869 1.00 0.00 O ATOM 1367 CB LYS A 86 9.432 10.243 0.920 1.00 0.00 C ATOM 1368 CG LYS A 86 10.265 11.279 1.658 1.00 0.00 C ATOM 1369 CD LYS A 86 10.089 12.668 1.060 1.00 0.00 C ATOM 1370 CE LYS A 86 11.426 13.365 0.863 1.00 0.00 C ATOM 1371 NZ LYS A 86 12.066 13.719 2.160 1.00 0.00 N ATOM 0 H LYS A 86 7.412 8.573 0.196 1.00 0.00 H new ATOM 0 HA LYS A 86 7.805 10.624 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.829 9.251 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.540 10.402 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.978 11.296 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.317 10.996 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.574 12.590 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.457 13.269 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.093 12.717 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.280 14.269 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.975 14.192 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.442 14.358 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.229 12.854 2.714 1.00 0.00 H new ATOM 1385 N ILE A 87 6.551 12.240 0.891 1.00 0.00 N ATOM 1386 CA ILE A 87 5.830 13.199 0.056 1.00 0.00 C ATOM 1387 C ILE A 87 6.544 14.543 0.011 1.00 0.00 C ATOM 1388 O ILE A 87 7.128 14.981 1.003 1.00 0.00 O ATOM 1389 CB ILE A 87 4.383 13.432 0.540 1.00 0.00 C ATOM 1390 CG1 ILE A 87 3.759 12.140 1.068 1.00 0.00 C ATOM 1391 CG2 ILE A 87 3.545 13.996 -0.596 1.00 0.00 C ATOM 1392 CD1 ILE A 87 2.415 12.353 1.737 1.00 0.00 C ATOM 0 H ILE A 87 6.499 12.419 1.894 1.00 0.00 H new ATOM 0 HA ILE A 87 5.801 12.759 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 87 4.408 14.149 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.639 11.439 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.443 11.679 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.524 14.159 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.971 14.943 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.538 13.291 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.028 11.397 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.533 13.030 2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.717 12.786 1.021 1.00 0.00 H new ATOM 1404 N ASP A 88 6.485 15.202 -1.144 1.00 0.00 N ATOM 1405 CA ASP A 88 7.115 16.502 -1.311 1.00 0.00 C ATOM 1406 C ASP A 88 6.140 17.474 -1.959 1.00 0.00 C ATOM 1407 O ASP A 88 5.663 17.232 -3.063 1.00 0.00 O ATOM 1408 CB ASP A 88 8.362 16.366 -2.185 1.00 0.00 C ATOM 1409 CG ASP A 88 9.564 15.867 -1.407 1.00 0.00 C ATOM 1410 OD1 ASP A 88 10.014 16.583 -0.486 1.00 0.00 O ATOM 1411 OD2 ASP A 88 10.057 14.762 -1.717 1.00 0.00 O ATOM 0 H ASP A 88 6.007 14.854 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 88 7.402 16.884 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.154 15.679 -3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.597 17.333 -2.630 1.00 0.00 H new ATOM 1416 N GLU A 89 5.851 18.577 -1.278 1.00 0.00 N ATOM 1417 CA GLU A 89 4.931 19.569 -1.818 1.00 0.00 C ATOM 1418 C GLU A 89 5.679 20.785 -2.324 1.00 0.00 C ATOM 1419 O GLU A 89 6.269 21.549 -1.559 1.00 0.00 O ATOM 1420 CB GLU A 89 3.905 19.980 -0.758 1.00 0.00 C ATOM 1421 CG GLU A 89 2.515 19.414 -1.005 1.00 0.00 C ATOM 1422 CD GLU A 89 1.434 20.476 -0.957 1.00 0.00 C ATOM 1423 OE1 GLU A 89 1.188 21.021 0.140 1.00 0.00 O ATOM 1424 OE2 GLU A 89 0.833 20.762 -2.014 1.00 0.00 O ATOM 0 H GLU A 89 6.236 18.805 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 89 4.405 19.118 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.254 19.650 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.845 21.068 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.494 18.924 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.301 18.649 -0.259 1.00 0.00 H new ATOM 1431 N LYS A 90 5.623 20.952 -3.629 1.00 0.00 N ATOM 1432 CA LYS A 90 6.257 22.064 -4.309 1.00 0.00 C ATOM 1433 C LYS A 90 5.260 22.676 -5.272 1.00 0.00 C ATOM 1434 O LYS A 90 4.075 22.361 -5.207 1.00 0.00 O ATOM 1435 CB LYS A 90 7.527 21.629 -5.050 1.00 0.00 C ATOM 1436 CG LYS A 90 7.792 20.135 -5.003 1.00 0.00 C ATOM 1437 CD LYS A 90 6.940 19.400 -6.019 1.00 0.00 C ATOM 1438 CE LYS A 90 7.792 18.824 -7.140 1.00 0.00 C ATOM 1439 NZ LYS A 90 7.936 19.777 -8.275 1.00 0.00 N ATOM 0 H LYS A 90 5.131 20.314 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 90 6.562 22.802 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.452 21.941 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.382 22.152 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.847 19.943 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.580 19.756 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.393 18.597 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.198 20.081 -6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.778 18.570 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.342 17.898 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.523 19.346 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.997 20.000 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.389 20.651 -7.939 1.00 0.00 H new ATOM 1453 N ASP A 91 5.750 23.544 -6.151 1.00 0.00 N ATOM 1454 CA ASP A 91 4.932 24.226 -7.164 1.00 0.00 C ATOM 1455 C ASP A 91 3.465 23.782 -7.197 1.00 0.00 C ATOM 1456 O ASP A 91 2.563 24.618 -7.260 1.00 0.00 O ATOM 1457 CB ASP A 91 5.553 24.025 -8.549 1.00 0.00 C ATOM 1458 CG ASP A 91 6.771 24.902 -8.769 1.00 0.00 C ATOM 1459 OD1 ASP A 91 6.834 25.993 -8.164 1.00 0.00 O ATOM 1460 OD2 ASP A 91 7.660 24.497 -9.547 1.00 0.00 O ATOM 0 H ASP A 91 6.737 23.801 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 91 4.926 25.279 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.835 22.979 -8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.808 24.244 -9.314 1.00 0.00 H new ATOM 1465 N ASP A 92 3.230 22.472 -7.156 1.00 0.00 N ATOM 1466 CA ASP A 92 1.874 21.929 -7.186 1.00 0.00 C ATOM 1467 C ASP A 92 1.934 20.433 -7.442 1.00 0.00 C ATOM 1468 O ASP A 92 1.158 19.659 -6.883 1.00 0.00 O ATOM 1469 CB ASP A 92 1.033 22.615 -8.270 1.00 0.00 C ATOM 1470 CG ASP A 92 -0.093 23.446 -7.688 1.00 0.00 C ATOM 1471 OD1 ASP A 92 0.105 24.040 -6.606 1.00 0.00 O ATOM 1472 OD2 ASP A 92 -1.173 23.503 -8.312 1.00 0.00 O ATOM 0 H ASP A 92 3.964 21.765 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 92 1.401 22.116 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.676 23.253 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.616 21.859 -8.936 1.00 0.00 H new ATOM 1477 N GLY A 93 2.884 20.037 -8.279 1.00 0.00 N ATOM 1478 CA GLY A 93 3.061 18.633 -8.585 1.00 0.00 C ATOM 1479 C GLY A 93 3.967 17.970 -7.575 1.00 0.00 C ATOM 1480 O GLY A 93 5.185 18.117 -7.638 1.00 0.00 O ATOM 0 H GLY A 93 3.535 20.664 -8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.092 18.134 -8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.483 18.525 -9.584 1.00 0.00 H new ATOM 1484 N LEU A 94 3.373 17.268 -6.620 1.00 0.00 N ATOM 1485 CA LEU A 94 4.143 16.618 -5.570 1.00 0.00 C ATOM 1486 C LEU A 94 4.464 15.163 -5.895 1.00 0.00 C ATOM 1487 O LEU A 94 3.577 14.367 -6.198 1.00 0.00 O ATOM 1488 CB LEU A 94 3.399 16.705 -4.236 1.00 0.00 C ATOM 1489 CG LEU A 94 1.906 16.374 -4.288 1.00 0.00 C ATOM 1490 CD1 LEU A 94 1.453 15.797 -2.958 1.00 0.00 C ATOM 1491 CD2 LEU A 94 1.091 17.615 -4.636 1.00 0.00 C ATOM 0 H LEU A 94 2.364 17.135 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 94 5.092 17.149 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.878 16.028 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.515 17.714 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 94 1.742 15.630 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.389 15.565 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.014 14.887 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.630 16.525 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.032 17.358 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.255 18.382 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.402 17.993 -5.610 1.00 0.00 H new ATOM 1503 N HIS A 95 5.749 14.827 -5.805 1.00 0.00 N ATOM 1504 CA HIS A 95 6.223 13.470 -6.064 1.00 0.00 C ATOM 1505 C HIS A 95 6.455 12.736 -4.750 1.00 0.00 C ATOM 1506 O HIS A 95 6.875 13.335 -3.761 1.00 0.00 O ATOM 1507 CB HIS A 95 7.514 13.502 -6.884 1.00 0.00 C ATOM 1508 CG HIS A 95 8.562 14.407 -6.315 1.00 0.00 C ATOM 1509 ND1 HIS A 95 8.811 15.672 -6.804 1.00 0.00 N ATOM 1510 CD2 HIS A 95 9.428 14.225 -5.291 1.00 0.00 C ATOM 1511 CE1 HIS A 95 9.786 16.228 -6.107 1.00 0.00 C ATOM 1512 NE2 HIS A 95 10.176 15.372 -5.181 1.00 0.00 N ATOM 0 H HIS A 95 6.487 15.484 -5.552 1.00 0.00 H new ATOM 0 HA HIS A 95 5.461 12.939 -6.636 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.917 12.491 -6.952 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.282 13.822 -7.900 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.515 13.342 -4.675 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.194 17.215 -6.268 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.913 15.536 -4.495 1.00 0.00 H new ATOM 1521 N LEU A 96 6.158 11.443 -4.737 1.00 0.00 N ATOM 1522 CA LEU A 96 6.316 10.642 -3.532 1.00 0.00 C ATOM 1523 C LEU A 96 7.460 9.641 -3.644 1.00 0.00 C ATOM 1524 O LEU A 96 7.668 9.028 -4.689 1.00 0.00 O ATOM 1525 CB LEU A 96 5.018 9.898 -3.223 1.00 0.00 C ATOM 1526 CG LEU A 96 5.023 9.109 -1.914 1.00 0.00 C ATOM 1527 CD1 LEU A 96 3.619 9.026 -1.344 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.602 7.717 -2.127 1.00 0.00 C ATOM 0 H LEU A 96 5.807 10.929 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 96 6.557 11.330 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.202 10.620 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.806 9.212 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 96 5.656 9.632 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.638 8.461 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.244 10.031 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.965 8.526 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.596 7.172 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.999 7.180 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.626 7.801 -2.491 1.00 0.00 H new ATOM 1540 N THR A 97 8.181 9.464 -2.542 1.00 0.00 N ATOM 1541 CA THR A 97 9.287 8.515 -2.483 1.00 0.00 C ATOM 1542 C THR A 97 8.996 7.464 -1.417 1.00 0.00 C ATOM 1543 O THR A 97 8.824 7.786 -0.247 1.00 0.00 O ATOM 1544 CB THR A 97 10.601 9.229 -2.172 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.424 10.635 -2.161 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.703 8.913 -3.162 1.00 0.00 C ATOM 0 H THR A 97 8.017 9.970 -1.671 1.00 0.00 H new ATOM 0 HA THR A 97 9.387 8.032 -3.455 1.00 0.00 H new ATOM 0 HB THR A 97 10.899 8.863 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.278 11.071 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.608 9.452 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.902 7.841 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.393 9.218 -4.161 1.00 0.00 H new ATOM 1554 N GLY A 98 8.920 6.214 -1.834 1.00 0.00 N ATOM 1555 CA GLY A 98 8.614 5.134 -0.908 1.00 0.00 C ATOM 1556 C GLY A 98 9.667 4.040 -0.861 1.00 0.00 C ATOM 1557 O GLY A 98 10.337 3.766 -1.853 1.00 0.00 O ATOM 0 H GLY A 98 9.064 5.920 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.493 5.551 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.658 4.691 -1.186 1.00 0.00 H new ATOM 1561 N THR A 99 9.811 3.423 0.310 1.00 0.00 N ATOM 1562 CA THR A 99 10.786 2.354 0.519 1.00 0.00 C ATOM 1563 C THR A 99 10.103 1.044 0.911 1.00 0.00 C ATOM 1564 O THR A 99 9.125 1.046 1.659 1.00 0.00 O ATOM 1565 CB THR A 99 11.762 2.754 1.621 1.00 0.00 C ATOM 1566 OG1 THR A 99 12.145 4.111 1.489 1.00 0.00 O ATOM 1567 CG2 THR A 99 13.024 1.917 1.638 1.00 0.00 C ATOM 0 H THR A 99 9.258 3.648 1.137 1.00 0.00 H new ATOM 0 HA THR A 99 11.318 2.201 -0.420 1.00 0.00 H new ATOM 0 HB THR A 99 11.224 2.588 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.769 4.346 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.674 2.255 2.446 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.764 0.870 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.544 2.023 0.686 1.00 0.00 H new ATOM 1575 N ALA A 100 10.632 -0.074 0.417 1.00 0.00 N ATOM 1576 CA ALA A 100 10.078 -1.388 0.737 1.00 0.00 C ATOM 1577 C ALA A 100 11.187 -2.384 1.077 1.00 0.00 C ATOM 1578 O ALA A 100 12.181 -2.484 0.363 1.00 0.00 O ATOM 1579 CB ALA A 100 9.235 -1.901 -0.422 1.00 0.00 C ATOM 0 H ALA A 100 11.441 -0.096 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 100 9.440 -1.284 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.828 -2.881 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.417 -1.206 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.855 -1.984 -1.314 1.00 0.00 H new ATOM 1585 N MET A 101 11.011 -3.119 2.173 1.00 0.00 N ATOM 1586 CA MET A 101 12.002 -4.107 2.605 1.00 0.00 C ATOM 1587 C MET A 101 11.343 -5.448 2.907 1.00 0.00 C ATOM 1588 O MET A 101 10.153 -5.504 3.212 1.00 0.00 O ATOM 1589 CB MET A 101 12.753 -3.602 3.839 1.00 0.00 C ATOM 1590 CG MET A 101 11.840 -3.174 4.976 1.00 0.00 C ATOM 1591 SD MET A 101 12.546 -1.848 5.973 1.00 0.00 S ATOM 1592 CE MET A 101 13.693 -2.766 6.994 1.00 0.00 C ATOM 0 H MET A 101 10.193 -3.051 2.779 1.00 0.00 H new ATOM 0 HA MET A 101 12.712 -4.250 1.790 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.419 -4.388 4.195 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.381 -2.759 3.552 1.00 0.00 H new ATOM 0 HG2 MET A 101 10.885 -2.846 4.566 1.00 0.00 H new ATOM 0 HG3 MET A 101 11.634 -4.033 5.614 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.260 -2.074 7.617 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.141 -3.458 7.630 1.00 0.00 H new ATOM 0 HE3 MET A 101 14.378 -3.326 6.358 1.00 0.00 H new ATOM 1602 N GLY A 102 12.115 -6.533 2.814 1.00 0.00 N ATOM 1603 CA GLY A 102 11.558 -7.845 3.075 1.00 0.00 C ATOM 1604 C GLY A 102 11.167 -8.548 1.798 1.00 0.00 C ATOM 1605 O GLY A 102 10.019 -8.956 1.628 1.00 0.00 O ATOM 0 H GLY A 102 13.104 -6.523 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.287 -8.449 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.684 -7.748 3.720 1.00 0.00 H new ATOM 1609 N GLU A 103 12.122 -8.675 0.888 1.00 0.00 N ATOM 1610 CA GLU A 103 11.868 -9.313 -0.392 1.00 0.00 C ATOM 1611 C GLU A 103 12.196 -10.801 -0.349 1.00 0.00 C ATOM 1612 O GLU A 103 13.348 -11.192 -0.164 1.00 0.00 O ATOM 1613 CB GLU A 103 12.673 -8.612 -1.487 1.00 0.00 C ATOM 1614 CG GLU A 103 12.577 -9.286 -2.848 1.00 0.00 C ATOM 1615 CD GLU A 103 12.188 -8.322 -3.953 1.00 0.00 C ATOM 1616 OE1 GLU A 103 11.527 -7.307 -3.650 1.00 0.00 O ATOM 1617 OE2 GLU A 103 12.542 -8.584 -5.122 1.00 0.00 O ATOM 0 H GLU A 103 13.079 -8.344 1.014 1.00 0.00 H new ATOM 0 HA GLU A 103 10.805 -9.222 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.327 -7.582 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.720 -8.571 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.536 -9.743 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.844 -10.091 -2.799 1.00 0.00 H new ATOM 1624 N GLU A 104 11.164 -11.625 -0.528 1.00 0.00 N ATOM 1625 CA GLU A 104 11.312 -13.078 -0.517 1.00 0.00 C ATOM 1626 C GLU A 104 9.944 -13.757 -0.589 1.00 0.00 C ATOM 1627 O GLU A 104 9.521 -14.424 0.356 1.00 0.00 O ATOM 1628 CB GLU A 104 12.059 -13.536 0.742 1.00 0.00 C ATOM 1629 CG GLU A 104 13.132 -14.578 0.468 1.00 0.00 C ATOM 1630 CD GLU A 104 14.499 -14.159 0.973 1.00 0.00 C ATOM 1631 OE1 GLU A 104 14.623 -13.874 2.183 1.00 0.00 O ATOM 1632 OE2 GLU A 104 15.444 -14.113 0.158 1.00 0.00 O ATOM 0 H GLU A 104 10.208 -11.306 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 104 11.894 -13.366 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.519 -12.669 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.340 -13.945 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.848 -15.519 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.187 -14.763 -0.605 1.00 0.00 H new ATOM 1639 N ILE A 105 9.251 -13.581 -1.713 1.00 0.00 N ATOM 1640 CA ILE A 105 7.932 -14.179 -1.891 1.00 0.00 C ATOM 1641 C ILE A 105 8.036 -15.689 -2.101 1.00 0.00 C ATOM 1642 O ILE A 105 8.881 -16.162 -2.861 1.00 0.00 O ATOM 1643 CB ILE A 105 7.168 -13.542 -3.082 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.659 -13.645 -2.857 1.00 0.00 C ATOM 1645 CG2 ILE A 105 7.556 -14.202 -4.400 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.135 -15.065 -2.890 1.00 0.00 C ATOM 0 H ILE A 105 9.579 -13.033 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 105 7.372 -13.983 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 105 7.445 -12.489 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.413 -13.198 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.146 -13.060 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 105 7.005 -13.735 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.626 -14.079 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.315 -15.264 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.058 -15.059 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.349 -15.509 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.620 -15.650 -2.109 1.00 0.00 H new ATOM 1658 N LYS A 106 7.168 -16.437 -1.430 1.00 0.00 N ATOM 1659 CA LYS A 106 7.159 -17.891 -1.550 1.00 0.00 C ATOM 1660 C LYS A 106 5.792 -18.382 -2.018 1.00 0.00 C ATOM 1661 O LYS A 106 4.759 -17.843 -1.619 1.00 0.00 O ATOM 1662 CB LYS A 106 7.521 -18.540 -0.211 1.00 0.00 C ATOM 1663 CG LYS A 106 8.681 -19.518 -0.304 1.00 0.00 C ATOM 1664 CD LYS A 106 9.513 -19.523 0.970 1.00 0.00 C ATOM 1665 CE LYS A 106 10.965 -19.172 0.692 1.00 0.00 C ATOM 1666 NZ LYS A 106 11.725 -18.919 1.948 1.00 0.00 N ATOM 0 H LYS A 106 6.461 -16.061 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 106 7.905 -18.178 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.772 -17.758 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.647 -19.062 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.298 -20.521 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.314 -19.254 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.095 -18.810 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.459 -20.507 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.436 -19.985 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.010 -18.288 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.711 -18.683 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.291 -18.126 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.704 -19.771 2.544 1.00 0.00 H new ATOM 1680 N GLU A 107 5.791 -19.406 -2.866 1.00 0.00 N ATOM 1681 CA GLU A 107 4.547 -19.968 -3.386 1.00 0.00 C ATOM 1682 C GLU A 107 3.598 -20.332 -2.248 1.00 0.00 C ATOM 1683 O GLU A 107 3.812 -21.315 -1.539 1.00 0.00 O ATOM 1684 CB GLU A 107 4.840 -21.203 -4.242 1.00 0.00 C ATOM 1685 CG GLU A 107 4.819 -20.927 -5.737 1.00 0.00 C ATOM 1686 CD GLU A 107 6.159 -21.185 -6.398 1.00 0.00 C ATOM 1687 OE1 GLU A 107 6.520 -22.368 -6.567 1.00 0.00 O ATOM 1688 OE2 GLU A 107 6.847 -20.203 -6.747 1.00 0.00 O ATOM 0 H GLU A 107 6.636 -19.864 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 107 4.065 -19.212 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.817 -21.601 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.106 -21.976 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.060 -21.552 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.528 -19.890 -5.907 1.00 0.00 H new ATOM 1695 N GLY A 108 2.553 -19.529 -2.076 1.00 0.00 N ATOM 1696 CA GLY A 108 1.593 -19.781 -1.018 1.00 0.00 C ATOM 1697 C GLY A 108 2.206 -19.630 0.360 1.00 0.00 C ATOM 1698 O GLY A 108 1.901 -20.398 1.271 1.00 0.00 O ATOM 0 H GLY A 108 2.354 -18.709 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.755 -19.091 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.191 -20.788 -1.127 1.00 0.00 H new ATOM 1702 N HIS A 109 3.079 -18.638 0.507 1.00 0.00 N ATOM 1703 CA HIS A 109 3.746 -18.387 1.780 1.00 0.00 C ATOM 1704 C HIS A 109 2.810 -17.700 2.768 1.00 0.00 C ATOM 1705 O HIS A 109 2.492 -16.520 2.620 1.00 0.00 O ATOM 1706 CB HIS A 109 4.994 -17.529 1.561 1.00 0.00 C ATOM 1707 CG HIS A 109 6.136 -17.893 2.458 1.00 0.00 C ATOM 1708 ND1 HIS A 109 7.162 -17.023 2.763 1.00 0.00 N ATOM 1709 CD2 HIS A 109 6.411 -19.042 3.120 1.00 0.00 C ATOM 1710 CE1 HIS A 109 8.018 -17.620 3.573 1.00 0.00 C ATOM 1711 NE2 HIS A 109 7.584 -18.846 3.805 1.00 0.00 N ATOM 0 H HIS A 109 3.341 -17.995 -0.240 1.00 0.00 H new ATOM 0 HA HIS A 109 4.039 -19.349 2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 109 5.313 -17.625 0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 109 4.737 -16.482 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.818 -19.944 3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.918 -17.181 3.976 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.046 -19.536 4.398 1.00 0.00 H new ATOM 1720 N GLU A 110 2.377 -18.445 3.782 1.00 0.00 N ATOM 1721 CA GLU A 110 1.482 -17.909 4.803 1.00 0.00 C ATOM 1722 C GLU A 110 0.164 -17.440 4.190 1.00 0.00 C ATOM 1723 O GLU A 110 0.136 -16.499 3.399 1.00 0.00 O ATOM 1724 CB GLU A 110 2.154 -16.750 5.544 1.00 0.00 C ATOM 1725 CG GLU A 110 3.627 -16.985 5.838 1.00 0.00 C ATOM 1726 CD GLU A 110 3.847 -17.976 6.964 1.00 0.00 C ATOM 1727 OE1 GLU A 110 3.052 -17.966 7.927 1.00 0.00 O ATOM 1728 OE2 GLU A 110 4.813 -18.764 6.881 1.00 0.00 O ATOM 0 H GLU A 110 2.632 -19.423 3.918 1.00 0.00 H new ATOM 0 HA GLU A 110 1.265 -18.709 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.052 -15.842 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.628 -16.577 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.120 -17.350 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.098 -16.037 6.097 1.00 0.00 H new ATOM 1735 N ARG A 111 -0.925 -18.105 4.564 1.00 0.00 N ATOM 1736 CA ARG A 111 -2.248 -17.757 4.054 1.00 0.00 C ATOM 1737 C ARG A 111 -3.100 -17.105 5.139 1.00 0.00 C ATOM 1738 O ARG A 111 -3.110 -17.551 6.286 1.00 0.00 O ATOM 1739 CB ARG A 111 -2.953 -19.004 3.517 1.00 0.00 C ATOM 1740 CG ARG A 111 -2.146 -19.755 2.471 1.00 0.00 C ATOM 1741 CD ARG A 111 -1.890 -18.897 1.243 1.00 0.00 C ATOM 1742 NE ARG A 111 -3.113 -18.661 0.477 1.00 0.00 N ATOM 1743 CZ ARG A 111 -3.259 -17.672 -0.401 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -2.263 -16.824 -0.629 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -4.405 -17.528 -1.053 1.00 0.00 N ATOM 0 H ARG A 111 -0.918 -18.888 5.218 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.119 -17.041 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.169 -19.675 4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.910 -18.713 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.195 -20.070 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.679 -20.660 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -1.464 -17.942 1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.152 -19.385 0.607 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.901 -19.292 0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.380 -16.929 -0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.381 -16.068 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.174 -18.175 -0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.517 -16.770 -1.726 1.00 0.00 H new ATOM 1759 N ARG A 112 -3.818 -16.049 4.767 1.00 0.00 N ATOM 1760 CA ARG A 112 -4.677 -15.336 5.705 1.00 0.00 C ATOM 1761 C ARG A 112 -6.005 -14.965 5.048 1.00 0.00 C ATOM 1762 O ARG A 112 -7.057 -15.488 5.412 1.00 0.00 O ATOM 1763 CB ARG A 112 -3.976 -14.076 6.217 1.00 0.00 C ATOM 1764 CG ARG A 112 -4.432 -13.647 7.604 1.00 0.00 C ATOM 1765 CD ARG A 112 -5.036 -12.252 7.588 1.00 0.00 C ATOM 1766 NE ARG A 112 -6.201 -12.151 8.464 1.00 0.00 N ATOM 1767 CZ ARG A 112 -6.875 -11.023 8.672 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -6.505 -9.899 8.070 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -7.924 -11.018 9.484 1.00 0.00 N ATOM 0 H ARG A 112 -3.821 -15.668 3.821 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.880 -15.995 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.900 -14.251 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -4.155 -13.260 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.167 -14.358 7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.585 -13.669 8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.284 -11.527 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.325 -11.993 6.569 1.00 0.00 H new ATOM 0 HE ARG A 112 -6.516 -12.994 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -5.700 -9.897 7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -7.026 -9.037 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -8.213 -11.879 9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -8.441 -10.153 9.644 1.00 0.00 H new ATOM 1783 N ASP A 113 -5.943 -14.066 4.070 1.00 0.00 N ATOM 1784 CA ASP A 113 -7.134 -13.629 3.352 1.00 0.00 C ATOM 1785 C ASP A 113 -6.921 -13.753 1.847 1.00 0.00 C ATOM 1786 O ASP A 113 -5.811 -13.555 1.352 1.00 0.00 O ATOM 1787 CB ASP A 113 -7.481 -12.184 3.717 1.00 0.00 C ATOM 1788 CG ASP A 113 -8.975 -11.957 3.826 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -9.707 -12.934 4.095 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -9.416 -10.803 3.642 1.00 0.00 O ATOM 0 H ASP A 113 -5.078 -13.626 3.757 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.966 -14.271 3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -7.008 -11.928 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.069 -11.513 2.963 1.00 0.00 H new ATOM 1795 N GLU A 114 -7.983 -14.094 1.122 1.00 0.00 N ATOM 1796 CA GLU A 114 -7.889 -14.255 -0.324 1.00 0.00 C ATOM 1797 C GLU A 114 -8.837 -13.313 -1.063 1.00 0.00 C ATOM 1798 O GLU A 114 -10.038 -13.562 -1.137 1.00 0.00 O ATOM 1799 CB GLU A 114 -8.196 -15.703 -0.710 1.00 0.00 C ATOM 1800 CG GLU A 114 -7.429 -16.187 -1.929 1.00 0.00 C ATOM 1801 CD GLU A 114 -8.247 -17.123 -2.798 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -8.376 -18.310 -2.434 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -8.759 -16.668 -3.842 1.00 0.00 O ATOM 0 H GLU A 114 -8.911 -14.263 1.509 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.870 -14.003 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.964 -16.352 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.265 -15.799 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.116 -15.327 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.522 -16.698 -1.604 1.00 0.00 H new ATOM 1810 N VAL A 115 -8.279 -12.247 -1.629 1.00 0.00 N ATOM 1811 CA VAL A 115 -9.052 -11.275 -2.391 1.00 0.00 C ATOM 1812 C VAL A 115 -8.944 -11.583 -3.880 1.00 0.00 C ATOM 1813 O VAL A 115 -7.844 -11.641 -4.429 1.00 0.00 O ATOM 1814 CB VAL A 115 -8.552 -9.841 -2.138 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -9.053 -9.327 -0.797 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -7.033 -9.779 -2.206 1.00 0.00 C ATOM 0 H VAL A 115 -7.283 -12.034 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 115 -10.090 -11.345 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.953 -9.197 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -8.689 -8.312 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -10.143 -9.326 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.687 -9.974 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.702 -8.756 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.608 -10.438 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.700 -10.098 -3.194 1.00 0.00 H new ATOM 1826 N LYS A 116 -10.082 -11.800 -4.527 1.00 0.00 N ATOM 1827 CA LYS A 116 -10.100 -12.121 -5.948 1.00 0.00 C ATOM 1828 C LYS A 116 -9.637 -10.945 -6.807 1.00 0.00 C ATOM 1829 O LYS A 116 -9.437 -11.099 -8.012 1.00 0.00 O ATOM 1830 CB LYS A 116 -11.498 -12.570 -6.379 1.00 0.00 C ATOM 1831 CG LYS A 116 -12.568 -11.505 -6.196 1.00 0.00 C ATOM 1832 CD LYS A 116 -12.858 -10.775 -7.499 1.00 0.00 C ATOM 1833 CE LYS A 116 -14.354 -10.634 -7.740 1.00 0.00 C ATOM 1834 NZ LYS A 116 -15.041 -11.956 -7.780 1.00 0.00 N ATOM 0 H LYS A 116 -11.003 -11.760 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.397 -12.940 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.468 -12.865 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.778 -13.455 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -13.483 -11.967 -5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.244 -10.789 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.398 -9.787 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.404 -11.317 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.792 -10.022 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.522 -10.110 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.847 -11.908 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.374 -12.684 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.382 -12.199 -6.828 1.00 0.00 H new ATOM 1848 N ALA A 117 -9.461 -9.773 -6.197 1.00 0.00 N ATOM 1849 CA ALA A 117 -9.015 -8.599 -6.946 1.00 0.00 C ATOM 1850 C ALA A 117 -8.875 -7.373 -6.053 1.00 0.00 C ATOM 1851 O ALA A 117 -9.345 -7.361 -4.917 1.00 0.00 O ATOM 1852 CB ALA A 117 -9.978 -8.305 -8.088 1.00 0.00 C ATOM 0 H ALA A 117 -9.618 -9.612 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.029 -8.826 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.634 -7.429 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.018 -9.162 -8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.973 -8.113 -7.685 1.00 0.00 H new ATOM 1858 N VAL A 118 -8.228 -6.339 -6.584 1.00 0.00 N ATOM 1859 CA VAL A 118 -8.026 -5.095 -5.850 1.00 0.00 C ATOM 1860 C VAL A 118 -8.709 -3.932 -6.566 1.00 0.00 C ATOM 1861 O VAL A 118 -8.261 -3.495 -7.626 1.00 0.00 O ATOM 1862 CB VAL A 118 -6.522 -4.784 -5.685 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -6.311 -3.411 -5.058 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -5.845 -5.867 -4.858 1.00 0.00 C ATOM 0 H VAL A 118 -7.833 -6.339 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 118 -8.469 -5.221 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.066 -4.770 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.243 -3.219 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -6.757 -2.647 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.782 -3.383 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -4.786 -5.634 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.308 -5.915 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.956 -6.829 -5.358 1.00 0.00 H new ATOM 1874 N THR A 119 -9.796 -3.435 -5.984 1.00 0.00 N ATOM 1875 CA THR A 119 -10.536 -2.325 -6.575 1.00 0.00 C ATOM 1876 C THR A 119 -10.486 -1.087 -5.683 1.00 0.00 C ATOM 1877 O THR A 119 -11.182 -1.015 -4.671 1.00 0.00 O ATOM 1878 CB THR A 119 -11.990 -2.732 -6.820 1.00 0.00 C ATOM 1879 OG1 THR A 119 -12.057 -3.995 -7.455 1.00 0.00 O ATOM 1880 CG2 THR A 119 -12.750 -1.744 -7.680 1.00 0.00 C ATOM 0 H THR A 119 -10.183 -3.782 -5.106 1.00 0.00 H new ATOM 0 HA THR A 119 -10.065 -2.077 -7.526 1.00 0.00 H new ATOM 0 HB THR A 119 -12.452 -2.762 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.995 -4.238 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.774 -2.092 -7.815 1.00 0.00 H new ATOM 0 HG22 THR A 119 -12.759 -0.769 -7.193 1.00 0.00 H new ATOM 0 HG23 THR A 119 -12.264 -1.659 -8.652 1.00 0.00 H new ATOM 1888 N PHE A 120 -9.672 -0.109 -6.076 1.00 0.00 N ATOM 1889 CA PHE A 120 -9.538 1.140 -5.322 1.00 0.00 C ATOM 1890 C PHE A 120 -10.899 1.647 -4.850 1.00 0.00 C ATOM 1891 O PHE A 120 -11.716 2.088 -5.659 1.00 0.00 O ATOM 1892 CB PHE A 120 -8.866 2.207 -6.191 1.00 0.00 C ATOM 1893 CG PHE A 120 -9.368 2.244 -7.608 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -10.485 2.993 -7.942 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -8.721 1.531 -8.605 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -10.946 3.030 -9.244 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -9.178 1.564 -9.908 1.00 0.00 C ATOM 1898 CZ PHE A 120 -10.293 2.315 -10.228 1.00 0.00 C ATOM 0 H PHE A 120 -9.093 -0.156 -6.914 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.921 0.940 -4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.023 3.184 -5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.791 2.029 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.001 3.554 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -7.849 0.943 -8.360 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.817 3.618 -9.492 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.665 1.004 -10.676 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.653 2.343 -11.246 1.00 0.00 H new ATOM 1908 N HIS A 121 -11.139 1.601 -3.538 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.408 2.084 -2.987 1.00 0.00 C ATOM 1910 C HIS A 121 -12.606 3.514 -3.442 1.00 0.00 C ATOM 1911 O HIS A 121 -13.686 3.942 -3.847 1.00 0.00 O ATOM 1912 CB HIS A 121 -12.403 2.069 -1.455 1.00 0.00 C ATOM 1913 CG HIS A 121 -13.720 2.446 -0.855 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -14.915 2.337 -1.535 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -14.030 2.934 0.370 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -15.902 2.743 -0.755 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -15.391 3.109 0.405 1.00 0.00 N ATOM 0 H HIS A 121 -10.483 1.240 -2.846 1.00 0.00 H new ATOM 0 HA HIS A 121 -13.206 1.429 -3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -12.126 1.073 -1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -11.637 2.756 -1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -13.336 3.146 1.170 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -16.948 2.770 -1.022 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -15.922 3.465 1.200 1.00 0.00 H new ATOM 1926 N MET A 122 -11.497 4.218 -3.362 1.00 0.00 N ATOM 1927 CA MET A 122 -11.378 5.608 -3.739 1.00 0.00 C ATOM 1928 C MET A 122 -9.894 5.924 -3.835 1.00 0.00 C ATOM 1929 O MET A 122 -9.460 6.690 -4.695 1.00 0.00 O ATOM 1930 CB MET A 122 -12.057 6.519 -2.716 1.00 0.00 C ATOM 1931 CG MET A 122 -12.483 7.862 -3.285 1.00 0.00 C ATOM 1932 SD MET A 122 -13.668 7.702 -4.634 1.00 0.00 S ATOM 1933 CE MET A 122 -15.189 7.461 -3.720 1.00 0.00 C ATOM 0 H MET A 122 -10.622 3.822 -3.020 1.00 0.00 H new ATOM 0 HA MET A 122 -11.873 5.782 -4.694 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.933 6.010 -2.314 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.375 6.687 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 122 -12.922 8.466 -2.491 1.00 0.00 H new ATOM 0 HG3 MET A 122 -11.603 8.397 -3.642 1.00 0.00 H new ATOM 0 HE1 MET A 122 -16.003 7.257 -4.416 1.00 0.00 H new ATOM 0 HE2 MET A 122 -15.074 6.618 -3.039 1.00 0.00 H new ATOM 0 HE3 MET A 122 -15.417 8.361 -3.149 1.00 0.00 H new ATOM 1943 N MET A 123 -9.114 5.296 -2.944 1.00 0.00 N ATOM 1944 CA MET A 123 -7.677 5.477 -2.926 1.00 0.00 C ATOM 1945 C MET A 123 -7.346 6.954 -2.900 1.00 0.00 C ATOM 1946 O MET A 123 -6.878 7.524 -3.885 1.00 0.00 O ATOM 1947 CB MET A 123 -7.050 4.790 -4.143 1.00 0.00 C ATOM 1948 CG MET A 123 -6.771 3.311 -3.928 1.00 0.00 C ATOM 1949 SD MET A 123 -5.498 2.678 -5.036 1.00 0.00 S ATOM 1950 CE MET A 123 -5.897 0.933 -5.054 1.00 0.00 C ATOM 0 H MET A 123 -9.466 4.659 -2.229 1.00 0.00 H new ATOM 0 HA MET A 123 -7.263 5.019 -2.028 1.00 0.00 H new ATOM 0 HB2 MET A 123 -7.716 4.905 -4.998 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.117 5.295 -4.395 1.00 0.00 H new ATOM 0 HG2 MET A 123 -6.462 3.150 -2.895 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.691 2.746 -4.077 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.990 0.354 -5.229 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.329 0.649 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.615 0.732 -5.849 1.00 0.00 H new ATOM 1960 N GLU A 124 -7.617 7.570 -1.760 1.00 0.00 N ATOM 1961 CA GLU A 124 -7.371 8.990 -1.585 1.00 0.00 C ATOM 1962 C GLU A 124 -7.244 9.325 -0.110 1.00 0.00 C ATOM 1963 O GLU A 124 -7.895 8.707 0.734 1.00 0.00 O ATOM 1964 CB GLU A 124 -8.502 9.805 -2.220 1.00 0.00 C ATOM 1965 CG GLU A 124 -9.820 9.714 -1.465 1.00 0.00 C ATOM 1966 CD GLU A 124 -10.331 11.070 -1.015 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -10.118 12.057 -1.749 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -10.941 11.143 0.072 1.00 0.00 O ATOM 0 H GLU A 124 -8.009 7.106 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 124 -6.435 9.246 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -8.197 10.850 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -8.655 9.462 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -10.567 9.242 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.692 9.071 -0.594 1.00 0.00 H new ATOM 1975 N ILE A 125 -6.405 10.298 0.199 1.00 0.00 N ATOM 1976 CA ILE A 125 -6.202 10.698 1.577 1.00 0.00 C ATOM 1977 C ILE A 125 -7.065 11.901 1.935 1.00 0.00 C ATOM 1978 O ILE A 125 -6.861 13.002 1.421 1.00 0.00 O ATOM 1979 CB ILE A 125 -4.728 11.037 1.855 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -3.834 9.837 1.543 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -4.541 11.476 3.301 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -2.363 10.181 1.519 1.00 0.00 C ATOM 0 H ILE A 125 -5.857 10.822 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.493 9.849 2.196 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.439 11.863 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.007 9.060 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.119 9.421 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.491 11.711 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.148 12.360 3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.849 10.671 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.784 9.286 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.178 10.936 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.064 10.569 2.493 1.00 0.00 H new ATOM 1994 N LEU A 126 -8.016 11.688 2.835 1.00 0.00 N ATOM 1995 CA LEU A 126 -8.896 12.762 3.278 1.00 0.00 C ATOM 1996 C LEU A 126 -8.458 13.242 4.655 1.00 0.00 C ATOM 1997 O LEU A 126 -8.128 12.433 5.522 1.00 0.00 O ATOM 1998 CB LEU A 126 -10.348 12.282 3.322 1.00 0.00 C ATOM 1999 CG LEU A 126 -11.366 13.337 3.759 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -12.700 13.114 3.064 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -11.538 13.316 5.270 1.00 0.00 C ATOM 0 H LEU A 126 -8.198 10.784 3.272 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.831 13.589 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.625 11.920 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.413 11.433 4.002 1.00 0.00 H new ATOM 0 HG LEU A 126 -10.991 14.319 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.411 13.874 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.564 13.181 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -13.083 12.126 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.266 14.073 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.890 12.333 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.582 13.527 5.748 1.00 0.00 H new ATOM 2013 N ASP A 127 -8.428 14.556 4.851 1.00 0.00 N ATOM 2014 CA ASP A 127 -7.993 15.108 6.127 1.00 0.00 C ATOM 2015 C ASP A 127 -9.166 15.438 7.046 1.00 0.00 C ATOM 2016 O ASP A 127 -10.032 16.245 6.707 1.00 0.00 O ATOM 2017 CB ASP A 127 -7.150 16.365 5.894 1.00 0.00 C ATOM 2018 CG ASP A 127 -5.666 16.064 5.843 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -5.156 15.775 4.740 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -5.011 16.118 6.906 1.00 0.00 O ATOM 0 H ASP A 127 -8.696 15.250 4.153 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.393 14.344 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.455 16.835 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.345 17.083 6.691 1.00 0.00 H new ATOM 2025 N GLU A 128 -9.158 14.824 8.224 1.00 0.00 N ATOM 2026 CA GLU A 128 -10.189 15.057 9.229 1.00 0.00 C ATOM 2027 C GLU A 128 -9.548 15.479 10.549 1.00 0.00 C ATOM 2028 O GLU A 128 -8.662 14.792 11.056 1.00 0.00 O ATOM 2029 CB GLU A 128 -11.040 13.799 9.431 1.00 0.00 C ATOM 2030 CG GLU A 128 -10.297 12.656 10.104 1.00 0.00 C ATOM 2031 CD GLU A 128 -10.361 12.729 11.617 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -11.381 13.218 12.146 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -9.389 12.298 12.273 1.00 0.00 O ATOM 0 H GLU A 128 -8.442 14.155 8.508 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.839 15.859 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.913 14.055 10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.407 13.461 8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.719 11.708 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.254 12.669 9.787 1.00 0.00 H new ATOM 2040 N ASP A 129 -9.986 16.603 11.108 1.00 0.00 N ATOM 2041 CA ASP A 129 -9.428 17.076 12.373 1.00 0.00 C ATOM 2042 C ASP A 129 -7.930 17.329 12.245 1.00 0.00 C ATOM 2043 O ASP A 129 -7.203 17.332 13.238 1.00 0.00 O ATOM 2044 CB ASP A 129 -9.658 16.029 13.458 1.00 0.00 C ATOM 2045 CG ASP A 129 -9.777 16.639 14.841 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -8.729 16.843 15.492 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -10.916 16.914 15.274 1.00 0.00 O ATOM 0 H ASP A 129 -10.715 17.197 10.713 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.925 18.009 12.636 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.566 15.470 13.232 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -8.834 15.315 13.449 1.00 0.00 H new ATOM 2052 N GLY A 130 -7.472 17.504 11.016 1.00 0.00 N ATOM 2053 CA GLY A 130 -6.057 17.713 10.774 1.00 0.00 C ATOM 2054 C GLY A 130 -5.329 16.393 10.601 1.00 0.00 C ATOM 2055 O GLY A 130 -4.117 16.360 10.390 1.00 0.00 O ATOM 0 H GLY A 130 -8.054 17.505 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.924 18.324 9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.621 18.266 11.606 1.00 0.00 H new ATOM 2059 N LEU A 131 -6.089 15.303 10.687 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.552 13.961 10.537 1.00 0.00 C ATOM 2061 C LEU A 131 -5.774 13.468 9.112 1.00 0.00 C ATOM 2062 O LEU A 131 -6.772 13.807 8.485 1.00 0.00 O ATOM 2063 CB LEU A 131 -6.217 13.011 11.536 1.00 0.00 C ATOM 2064 CG LEU A 131 -5.261 12.344 12.525 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -5.951 12.106 13.859 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -4.742 11.037 11.949 1.00 0.00 C ATOM 0 H LEU A 131 -7.093 15.330 10.863 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.481 13.984 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.969 13.566 12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.743 12.234 10.981 1.00 0.00 H new ATOM 0 HG LEU A 131 -4.415 13.010 12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -5.254 11.631 14.549 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -6.279 13.059 14.274 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.815 11.458 13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -4.062 10.570 12.661 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.580 10.367 11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -4.212 11.235 11.018 1.00 0.00 H new ATOM 2078 N ILE A 132 -4.839 12.675 8.603 1.00 0.00 N ATOM 2079 CA ILE A 132 -4.945 12.154 7.244 1.00 0.00 C ATOM 2080 C ILE A 132 -5.455 10.729 7.242 1.00 0.00 C ATOM 2081 O ILE A 132 -4.996 9.902 8.023 1.00 0.00 O ATOM 2082 CB ILE A 132 -3.587 12.147 6.512 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.433 11.918 7.497 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -3.381 13.439 5.739 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -1.918 13.188 8.145 1.00 0.00 C ATOM 0 H ILE A 132 -4.003 12.379 9.107 1.00 0.00 H new ATOM 0 HA ILE A 132 -5.640 12.818 6.730 1.00 0.00 H new ATOM 0 HB ILE A 132 -3.596 11.321 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.764 11.232 8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -1.611 11.431 6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -2.417 13.410 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -4.176 13.552 5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -3.403 14.283 6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.104 12.944 8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.554 13.868 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.725 13.667 8.700 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.388 10.439 6.343 1.00 0.00 N ATOM 2098 CA LYS A 133 -6.922 9.095 6.231 1.00 0.00 C ATOM 2099 C LYS A 133 -6.993 8.657 4.771 1.00 0.00 C ATOM 2100 O LYS A 133 -7.423 9.415 3.905 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.314 9.023 6.860 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.335 9.363 8.340 1.00 0.00 C ATOM 2103 CD LYS A 133 -9.739 9.698 8.817 1.00 0.00 C ATOM 2104 CE LYS A 133 -10.711 8.560 8.544 1.00 0.00 C ATOM 2105 NZ LYS A 133 -10.425 7.369 9.390 1.00 0.00 N ATOM 0 H LYS A 133 -6.785 11.113 5.688 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.252 8.421 6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -8.978 9.706 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.714 8.018 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -7.947 8.521 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.674 10.209 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -9.719 9.912 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.087 10.602 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -11.730 8.901 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -10.655 8.280 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -10.815 6.519 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -9.397 7.261 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -10.863 7.494 10.325 1.00 0.00 H new ATOM 2119 N ALA A 134 -6.589 7.420 4.517 1.00 0.00 N ATOM 2120 CA ALA A 134 -6.614 6.845 3.169 1.00 0.00 C ATOM 2121 C ALA A 134 -7.562 5.640 3.124 1.00 0.00 C ATOM 2122 O ALA A 134 -7.666 4.907 4.104 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.209 6.434 2.754 1.00 0.00 C ATOM 0 H ALA A 134 -6.235 6.785 5.233 1.00 0.00 H new ATOM 0 HA ALA A 134 -6.979 7.597 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.236 6.008 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.558 7.308 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -4.825 5.692 3.454 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.274 5.445 2.007 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.228 4.326 1.913 1.00 0.00 C ATOM 2131 C ARG A 135 -9.078 3.471 0.650 1.00 0.00 C ATOM 2132 O ARG A 135 -9.197 3.972 -0.469 1.00 0.00 O ATOM 2133 CB ARG A 135 -10.653 4.861 1.994 1.00 0.00 C ATOM 2134 CG ARG A 135 -10.888 6.066 1.103 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.188 5.937 0.324 1.00 0.00 C ATOM 2136 NE ARG A 135 -12.728 7.241 -0.056 1.00 0.00 N ATOM 2137 CZ ARG A 135 -14.004 7.452 -0.372 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -14.873 6.449 -0.366 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -14.411 8.671 -0.697 1.00 0.00 N ATOM 0 H ARG A 135 -8.213 6.030 1.173 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.003 3.669 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.348 4.069 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.875 5.131 3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -10.915 6.970 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.055 6.174 0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.017 5.340 -0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.921 5.402 0.928 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.090 8.036 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.565 5.509 -0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.849 6.618 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -13.747 9.445 -0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.388 8.835 -0.939 1.00 0.00 H new ATOM 2153 N VAL A 136 -8.834 2.162 0.843 1.00 0.00 N ATOM 2154 CA VAL A 136 -8.694 1.234 -0.284 1.00 0.00 C ATOM 2155 C VAL A 136 -9.560 -0.041 -0.150 1.00 0.00 C ATOM 2156 O VAL A 136 -9.331 -0.867 0.731 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.225 0.811 -0.467 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -7.047 0.035 -1.765 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -6.312 2.028 -0.437 1.00 0.00 C ATOM 0 H VAL A 136 -8.731 1.730 1.761 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.048 1.786 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.950 0.156 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.002 -0.255 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.671 -0.859 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.341 0.662 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.278 1.710 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.587 2.709 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.417 2.538 0.521 1.00 0.00 H new ATOM 2169 N ILE A 137 -10.511 -0.196 -1.080 1.00 0.00 N ATOM 2170 CA ILE A 137 -11.410 -1.356 -1.176 1.00 0.00 C ATOM 2171 C ILE A 137 -10.748 -2.470 -1.973 1.00 0.00 C ATOM 2172 O ILE A 137 -10.037 -2.224 -2.947 1.00 0.00 O ATOM 2173 CB ILE A 137 -12.766 -1.003 -1.847 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -13.803 -0.597 -0.791 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -13.291 -2.164 -2.688 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -14.520 -1.769 -0.150 1.00 0.00 C ATOM 0 H ILE A 137 -10.682 0.500 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 137 -11.609 -1.681 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 137 -12.594 -0.157 -2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -13.306 -0.018 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -14.541 0.058 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -14.241 -1.883 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -12.570 -2.402 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -13.437 -3.037 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -15.236 -1.400 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -15.047 -2.337 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -13.793 -2.414 0.344 1.00 0.00 H new ATOM 2188 N LEU A 138 -10.970 -3.689 -1.531 1.00 0.00 N ATOM 2189 CA LEU A 138 -10.397 -4.858 -2.160 1.00 0.00 C ATOM 2190 C LEU A 138 -11.492 -5.876 -2.445 1.00 0.00 C ATOM 2191 O LEU A 138 -12.508 -5.899 -1.760 1.00 0.00 O ATOM 2192 CB LEU A 138 -9.300 -5.426 -1.260 1.00 0.00 C ATOM 2193 CG LEU A 138 -8.093 -4.495 -1.098 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -7.489 -4.200 -2.461 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -8.494 -3.192 -0.413 1.00 0.00 C ATOM 0 H LEU A 138 -11.555 -3.897 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.943 -4.593 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.721 -5.635 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.962 -6.377 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.354 -4.994 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.631 -3.538 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -7.167 -5.132 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -8.235 -3.718 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.619 -2.550 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -9.249 -2.683 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.901 -3.410 0.574 1.00 0.00 H new ATOM 2207 N ASP A 139 -11.314 -6.683 -3.481 1.00 0.00 N ATOM 2208 CA ASP A 139 -12.336 -7.650 -3.865 1.00 0.00 C ATOM 2209 C ASP A 139 -12.258 -8.926 -3.034 1.00 0.00 C ATOM 2210 O ASP A 139 -11.179 -9.454 -2.767 1.00 0.00 O ATOM 2211 CB ASP A 139 -12.208 -7.985 -5.351 1.00 0.00 C ATOM 2212 CG ASP A 139 -13.556 -8.099 -6.034 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -14.553 -8.385 -5.336 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -13.617 -7.902 -7.266 1.00 0.00 O ATOM 0 H ASP A 139 -10.479 -6.689 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 139 -13.307 -7.193 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -11.617 -7.214 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -11.666 -8.924 -5.464 1.00 0.00 H new ATOM 2219 N LEU A 140 -13.436 -9.398 -2.622 1.00 0.00 N ATOM 2220 CA LEU A 140 -13.573 -10.600 -1.807 1.00 0.00 C ATOM 2221 C LEU A 140 -12.616 -11.700 -2.251 1.00 0.00 C ATOM 2222 O LEU A 140 -12.079 -12.402 -1.372 1.00 0.00 O ATOM 2223 CB LEU A 140 -15.015 -11.111 -1.866 1.00 0.00 C ATOM 2224 CG LEU A 140 -15.701 -11.274 -0.508 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -15.054 -12.398 0.286 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -15.652 -9.970 0.274 1.00 0.00 C ATOM 2227 OXT LEU A 140 -12.420 -11.853 -3.474 1.00 0.00 O ATOM 0 H LEU A 140 -14.325 -8.952 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 140 -13.319 -10.333 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -15.604 -10.423 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -15.023 -12.073 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 140 -16.746 -11.533 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -15.555 -12.499 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -15.142 -13.332 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -14.001 -12.170 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -16.145 -10.105 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -14.613 -9.681 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -16.163 -9.189 -0.289 1.00 0.00 H new TER 2239 LEU A 140