USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 724 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 115 TYR OH : rot -6:sc= 0.277 USER MOD Set 1.2: A 116 ASN : amide:sc= -1.42 K(o=-1.1,f=-4.2!) USER MOD Set 2.1: A 73 SER OG : rot -114:sc= -1.46! USER MOD Set 2.2: A 101 THR OG1 : rot -146:sc= 0.0145 USER MOD Set 3.1: A 7 ASN : amide:sc= -8.26! C(o=-8.5!,f=-13!) USER MOD Set 3.2: A 10 THR OG1 : rot -162:sc= -0.194! USER MOD Set 4.1: A 5 TYR OH : rot 68:sc= 0.18! USER MOD Set 4.2: A 57 TYR OH : rot -58:sc= 0.668 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.5!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.133 (180deg=-1.35!) USER MOD Single : A 37 TYR OH : rot 17:sc= 0.628 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 136:sc= -10! (180deg=-13.1!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= -0.126 (180deg=-0.193) USER MOD Single : A 82 MET CE :methyl 161:sc= 0 (180deg=-0.0716) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -114:sc= -0.115 (180deg=-0.692) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.245 USER MOD Single : A 105 SER OG : rot -36:sc= 0.0562 USER MOD Single : A 112 LYS NZ :NH3+ 149:sc= -0.331 (180deg=-2.6!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -26.2! C(o=-26!,f=-26!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.462 7.621 30.102 1.00 3.92 N ATOM 2 CA PRO A 1 3.309 7.542 29.162 1.00 3.44 C ATOM 3 C PRO A 1 2.253 8.588 29.524 1.00 3.50 C ATOM 4 O PRO A 1 1.149 8.261 29.911 1.00 4.94 O ATOM 5 CB PRO A 1 2.766 6.132 29.369 1.00 2.00 C ATOM 6 CG PRO A 1 3.190 5.760 30.751 1.00 4.99 C ATOM 7 CD PRO A 1 4.490 6.473 31.014 1.00 3.38 C ATOM 0 H2 PRO A 1 4.404 8.485 30.642 1.00 3.92 H new ATOM 0 H3 PRO A 1 5.333 7.658 29.572 1.00 3.92 H new ATOM 0 HA PRO A 1 3.590 7.736 28.127 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.681 6.107 29.268 1.00 2.00 H new ATOM 0 HB3 PRO A 1 3.171 5.440 28.631 1.00 2.00 H new ATOM 0 HG2 PRO A 1 2.434 6.053 31.479 1.00 4.99 H new ATOM 0 HG3 PRO A 1 3.316 4.681 30.839 1.00 4.99 H new ATOM 0 HD2 PRO A 1 4.566 6.792 32.053 1.00 3.38 H new ATOM 0 HD3 PRO A 1 5.346 5.827 30.815 1.00 3.38 H new ATOM 17 N THR A 2 2.580 9.846 29.400 1.00 3.08 N ATOM 18 CA THR A 2 1.592 10.910 29.737 1.00 2.08 C ATOM 19 C THR A 2 1.133 11.626 28.463 1.00 2.52 C ATOM 20 O THR A 2 1.910 11.873 27.562 1.00 2.28 O ATOM 21 CB THR A 2 2.346 11.873 30.658 1.00 3.47 C ATOM 22 OG1 THR A 2 2.431 11.307 31.960 1.00 3.73 O ATOM 23 CG2 THR A 2 1.604 13.212 30.723 1.00 3.09 C ATOM 0 H THR A 2 3.488 10.182 29.080 1.00 3.08 H new ATOM 0 HA THR A 2 0.697 10.510 30.214 1.00 2.08 H new ATOM 0 HB THR A 2 3.350 12.041 30.268 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.915 11.920 32.552 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.143 13.895 31.379 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.542 13.642 29.723 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.599 13.052 31.113 1.00 3.09 H new ATOM 31 N VAL A 3 -0.125 11.962 28.382 1.00 10.00 N ATOM 32 CA VAL A 3 -0.634 12.663 27.169 1.00 10.00 C ATOM 33 C VAL A 3 -1.278 13.994 27.564 1.00 10.00 C ATOM 34 O VAL A 3 -1.539 14.248 28.723 1.00 10.00 O ATOM 35 CB VAL A 3 -1.678 11.717 26.575 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.296 12.356 25.330 1.00 10.00 C ATOM 37 CG2 VAL A 3 -1.011 10.394 26.192 1.00 10.00 C ATOM 0 H VAL A 3 -0.823 11.781 29.104 1.00 10.00 H new ATOM 0 HA VAL A 3 0.160 12.891 26.457 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.458 11.529 27.313 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -3.040 11.682 24.906 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.773 13.297 25.603 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.516 12.545 24.593 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.756 9.720 25.769 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.230 10.580 25.455 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.572 9.938 27.079 1.00 10.00 H new ATOM 47 N GLU A 4 -1.535 14.846 26.611 1.00 10.00 N ATOM 48 CA GLU A 4 -2.159 16.160 26.936 1.00 10.00 C ATOM 49 C GLU A 4 -3.226 16.509 25.895 1.00 10.00 C ATOM 50 O GLU A 4 -2.918 16.868 24.776 1.00 10.00 O ATOM 51 CB GLU A 4 -1.007 17.164 26.881 1.00 50.00 C ATOM 52 CG GLU A 4 -0.800 17.781 28.265 1.00 50.00 C ATOM 53 CD GLU A 4 0.688 17.747 28.619 1.00 50.00 C ATOM 54 OE1 GLU A 4 1.468 18.314 27.871 1.00 50.00 O ATOM 55 OE2 GLU A 4 1.023 17.153 29.631 1.00 50.00 O ATOM 0 H GLU A 4 -1.340 14.690 25.622 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.653 16.157 27.908 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.094 16.668 26.552 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -1.226 17.945 26.152 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.164 18.808 28.276 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.375 17.231 29.010 1.00 50.00 H new ATOM 62 N TYR A 5 -4.478 16.406 26.251 1.00 10.00 N ATOM 63 CA TYR A 5 -5.554 16.733 25.271 1.00 10.00 C ATOM 64 C TYR A 5 -5.956 18.204 25.397 1.00 10.00 C ATOM 65 O TYR A 5 -6.094 18.731 26.484 1.00 10.00 O ATOM 66 CB TYR A 5 -6.724 15.820 25.638 1.00 10.00 C ATOM 67 CG TYR A 5 -7.256 16.195 27.001 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.164 17.251 27.129 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.843 15.483 28.134 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.661 17.596 28.392 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.342 15.828 29.396 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.251 16.884 29.525 1.00 50.00 C ATOM 73 OH TYR A 5 -8.744 17.224 30.769 1.00 50.00 O ATOM 0 H TYR A 5 -4.801 16.111 27.172 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.231 16.581 24.241 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.514 15.908 24.892 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.400 14.779 25.638 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.482 17.800 26.255 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -6.140 14.669 28.035 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.361 18.412 28.492 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -7.025 15.279 30.270 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.700 17.013 30.811 1.00 50.00 H new ATOM 83 N LEU A 6 -6.141 18.874 24.291 1.00 10.00 N ATOM 84 CA LEU A 6 -6.527 20.313 24.345 1.00 10.00 C ATOM 85 C LEU A 6 -7.708 20.586 23.409 1.00 10.00 C ATOM 86 O LEU A 6 -7.593 20.483 22.203 1.00 10.00 O ATOM 87 CB LEU A 6 -5.286 21.070 23.868 1.00 12.50 C ATOM 88 CG LEU A 6 -4.938 22.178 24.865 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.756 22.992 24.332 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.145 23.099 25.050 1.00 50.00 C ATOM 0 H LEU A 6 -6.041 18.487 23.353 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.838 20.617 25.344 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.446 20.383 23.767 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.467 21.499 22.882 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.672 21.731 25.823 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.508 23.781 25.042 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.894 22.338 24.200 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.023 23.437 23.374 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.896 23.887 25.760 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.413 23.545 24.092 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.988 22.522 25.430 1.00 50.00 H new ATOM 102 N ASN A 7 -8.841 20.943 23.951 1.00 10.00 N ATOM 103 CA ASN A 7 -10.016 21.235 23.086 1.00 10.00 C ATOM 104 C ASN A 7 -9.620 22.248 22.009 1.00 10.00 C ATOM 105 O ASN A 7 -9.307 23.386 22.298 1.00 10.00 O ATOM 106 CB ASN A 7 -11.061 21.826 24.032 1.00 10.00 C ATOM 107 CG ASN A 7 -10.565 23.166 24.570 1.00 10.00 C ATOM 108 OD1 ASN A 7 -9.377 23.411 24.624 1.00 12.50 O ATOM 109 ND2 ASN A 7 -11.433 24.047 24.982 1.00 12.50 N ATOM 0 H ASN A 7 -9.002 21.044 24.953 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.394 20.352 22.571 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -12.007 21.961 23.507 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -11.250 21.139 24.857 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -11.114 24.943 25.350 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.431 23.840 24.936 1.00 12.50 H new ATOM 116 N TYR A 8 -9.622 21.845 20.770 1.00 50.00 N ATOM 117 CA TYR A 8 -9.233 22.787 19.685 1.00 50.00 C ATOM 118 C TYR A 8 -10.127 24.031 19.720 1.00 50.00 C ATOM 119 O TYR A 8 -9.776 25.073 19.202 1.00 50.00 O ATOM 120 CB TYR A 8 -9.430 21.994 18.388 1.00 50.00 C ATOM 121 CG TYR A 8 -9.675 22.935 17.234 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.931 23.531 17.082 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.655 23.206 16.314 1.00 50.00 C ATOM 124 CE1 TYR A 8 -11.170 24.397 16.012 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.893 24.075 15.242 1.00 50.00 C ATOM 126 CZ TYR A 8 -10.152 24.669 15.090 1.00 50.00 C ATOM 127 OH TYR A 8 -10.387 25.527 14.035 1.00 50.00 O ATOM 0 H TYR A 8 -9.876 20.906 20.462 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.208 23.143 19.784 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.549 21.384 18.189 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.273 21.311 18.495 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.717 23.322 17.792 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.685 22.745 16.431 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -12.140 24.857 15.896 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -8.106 24.287 14.533 1.00 50.00 H new ATOM 0 HH TYR A 8 -9.576 25.607 13.491 1.00 50.00 H new ATOM 137 N GLU A 9 -11.277 23.936 20.326 1.00 25.00 N ATOM 138 CA GLU A 9 -12.177 25.123 20.386 1.00 25.00 C ATOM 139 C GLU A 9 -11.468 26.269 21.110 1.00 25.00 C ATOM 140 O GLU A 9 -11.497 27.403 20.677 1.00 25.00 O ATOM 141 CB GLU A 9 -13.403 24.662 21.174 1.00 50.00 C ATOM 142 CG GLU A 9 -14.626 25.469 20.730 1.00 50.00 C ATOM 143 CD GLU A 9 -15.694 24.519 20.182 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.707 23.372 20.597 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.479 24.955 19.356 1.00 50.00 O ATOM 0 H GLU A 9 -11.632 23.094 20.780 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.454 25.487 19.396 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.576 23.598 21.009 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.234 24.796 22.242 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -15.026 26.036 21.571 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.340 26.191 19.966 1.00 50.00 H new ATOM 152 N THR A 10 -10.819 25.976 22.204 1.00 50.00 N ATOM 153 CA THR A 10 -10.096 27.049 22.946 1.00 50.00 C ATOM 154 C THR A 10 -8.980 27.614 22.064 1.00 50.00 C ATOM 155 O THR A 10 -8.683 28.791 22.097 1.00 50.00 O ATOM 156 CB THR A 10 -9.517 26.357 24.187 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.521 26.274 25.188 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.327 27.155 24.726 1.00 50.00 C ATOM 0 H THR A 10 -10.758 25.044 22.615 1.00 50.00 H new ATOM 0 HA THR A 10 -10.743 27.882 23.221 1.00 50.00 H new ATOM 0 HB THR A 10 -9.181 25.356 23.915 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.103 26.105 26.058 1.00 50.00 H new ATOM 0 HG21 THR A 10 -7.923 26.656 25.607 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.555 27.219 23.959 1.00 50.00 H new ATOM 0 HG23 THR A 10 -8.655 28.159 24.996 1.00 50.00 H new ATOM 166 N LEU A 11 -8.366 26.780 21.270 1.00 50.00 N ATOM 167 CA LEU A 11 -7.277 27.267 20.378 1.00 50.00 C ATOM 168 C LEU A 11 -7.840 28.290 19.390 1.00 50.00 C ATOM 169 O LEU A 11 -7.254 29.326 19.148 1.00 50.00 O ATOM 170 CB LEU A 11 -6.785 26.021 19.640 1.00 50.00 C ATOM 171 CG LEU A 11 -5.259 25.945 19.724 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.763 24.742 18.920 1.00 50.00 C ATOM 173 CD2 LEU A 11 -4.652 27.227 19.148 1.00 50.00 C ATOM 0 H LEU A 11 -8.571 25.783 21.201 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.472 27.756 20.926 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -7.229 25.127 20.079 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.101 26.055 18.597 1.00 50.00 H new ATOM 0 HG LEU A 11 -4.958 25.835 20.766 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -3.676 24.688 18.980 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.195 23.828 19.328 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -5.064 24.852 17.878 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -3.565 27.174 19.208 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.953 27.336 18.106 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.005 28.085 19.720 1.00 50.00 H new ATOM 185 N ASP A 12 -8.981 28.005 18.822 1.00 50.00 N ATOM 186 CA ASP A 12 -9.593 28.957 17.851 1.00 50.00 C ATOM 187 C ASP A 12 -10.306 30.086 18.602 1.00 50.00 C ATOM 188 O ASP A 12 -10.103 31.251 18.327 1.00 50.00 O ATOM 189 CB ASP A 12 -10.598 28.120 17.059 1.00 50.00 C ATOM 190 CG ASP A 12 -11.280 28.999 16.008 1.00 50.00 C ATOM 191 OD1 ASP A 12 -12.149 29.769 16.383 1.00 50.00 O ATOM 192 OD2 ASP A 12 -10.921 28.887 14.848 1.00 50.00 O ATOM 0 H ASP A 12 -9.516 27.153 18.989 1.00 50.00 H new ATOM 0 HA ASP A 12 -8.852 29.424 17.202 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.091 27.285 16.576 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.343 27.695 17.732 1.00 50.00 H new ATOM 197 N ASP A 13 -11.138 29.747 19.549 1.00 50.00 N ATOM 198 CA ASP A 13 -11.861 30.801 20.317 1.00 50.00 C ATOM 199 C ASP A 13 -10.877 31.867 20.804 1.00 50.00 C ATOM 200 O ASP A 13 -11.120 33.051 20.686 1.00 50.00 O ATOM 201 CB ASP A 13 -12.487 30.068 21.504 1.00 50.00 C ATOM 202 CG ASP A 13 -13.003 31.089 22.520 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.113 31.563 22.343 1.00 50.00 O ATOM 204 OD2 ASP A 13 -12.279 31.379 23.459 1.00 50.00 O ATOM 0 H ASP A 13 -11.348 28.787 19.824 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.611 31.312 19.712 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.305 29.433 21.163 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.750 29.415 21.971 1.00 50.00 H new ATOM 209 N GLN A 14 -9.767 31.453 21.351 1.00 50.00 N ATOM 210 CA GLN A 14 -8.765 32.441 21.844 1.00 50.00 C ATOM 211 C GLN A 14 -7.797 32.814 20.718 1.00 50.00 C ATOM 212 O GLN A 14 -7.079 33.791 20.802 1.00 50.00 O ATOM 213 CB GLN A 14 -8.023 31.722 22.973 1.00 50.00 C ATOM 214 CG GLN A 14 -8.387 32.364 24.312 1.00 50.00 C ATOM 215 CD GLN A 14 -9.031 31.317 25.223 1.00 50.00 C ATOM 216 OE1 GLN A 14 -9.604 30.355 24.750 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.961 31.463 26.518 1.00 50.00 N ATOM 0 H GLN A 14 -9.510 30.474 21.478 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.228 33.366 22.186 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.287 30.665 22.981 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -6.947 31.780 22.810 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -7.495 32.773 24.785 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -9.074 33.195 24.154 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.480 32.270 26.915 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -9.387 30.770 27.133 1.00 50.00 H new ATOM 226 N GLY A 15 -7.772 32.043 19.665 1.00 50.00 N ATOM 227 CA GLY A 15 -6.850 32.353 18.535 1.00 50.00 C ATOM 228 C GLY A 15 -5.402 32.189 19.002 1.00 50.00 C ATOM 229 O GLY A 15 -4.535 32.963 18.648 1.00 50.00 O ATOM 0 H GLY A 15 -8.350 31.212 19.538 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.050 31.688 17.695 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.017 33.371 18.183 1.00 50.00 H new ATOM 233 N TRP A 16 -5.135 31.188 19.794 1.00 50.00 N ATOM 234 CA TRP A 16 -3.743 30.975 20.285 1.00 50.00 C ATOM 235 C TRP A 16 -2.934 30.177 19.259 1.00 50.00 C ATOM 236 O TRP A 16 -3.367 29.964 18.144 1.00 50.00 O ATOM 237 CB TRP A 16 -3.899 30.181 21.583 1.00 50.00 C ATOM 238 CG TRP A 16 -3.650 31.082 22.751 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.677 32.020 22.813 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.365 31.148 24.018 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.749 32.656 24.040 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.772 32.154 24.818 1.00 50.00 C ATOM 243 CE3 TRP A 16 -5.459 30.440 24.547 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.248 32.447 26.096 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.941 30.732 25.835 1.00 50.00 C ATOM 246 CH2 TRP A 16 -5.336 31.734 26.607 1.00 50.00 C ATOM 0 H TRP A 16 -5.820 30.508 20.123 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.213 31.914 20.443 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.901 29.757 21.644 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.198 29.346 21.598 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -1.962 32.237 22.033 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.122 33.405 24.334 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.932 29.667 23.960 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.779 33.220 26.687 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -6.781 30.182 26.232 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.710 31.955 27.596 1.00 50.00 H new ATOM 257 N ASP A 17 -1.761 29.739 19.625 1.00 50.00 N ATOM 258 CA ASP A 17 -0.925 28.960 18.668 1.00 50.00 C ATOM 259 C ASP A 17 -0.983 27.467 19.000 1.00 50.00 C ATOM 260 O ASP A 17 -1.643 27.052 19.930 1.00 50.00 O ATOM 261 CB ASP A 17 0.495 29.494 18.855 1.00 50.00 C ATOM 262 CG ASP A 17 0.697 30.722 17.966 1.00 50.00 C ATOM 263 OD1 ASP A 17 0.682 30.562 16.757 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.863 31.802 18.508 1.00 50.00 O ATOM 0 H ASP A 17 -1.345 29.887 20.545 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.271 29.068 17.640 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.662 29.756 19.900 1.00 50.00 H new ATOM 0 HB3 ASP A 17 1.222 28.723 18.600 1.00 50.00 H new ATOM 269 N MET A 18 -0.295 26.657 18.241 1.00 50.00 N ATOM 270 CA MET A 18 -0.310 25.190 18.509 1.00 50.00 C ATOM 271 C MET A 18 0.649 24.845 19.654 1.00 50.00 C ATOM 272 O MET A 18 0.271 24.217 20.622 1.00 50.00 O ATOM 273 CB MET A 18 0.159 24.546 17.204 1.00 50.00 C ATOM 274 CG MET A 18 -0.691 25.070 16.045 1.00 50.00 C ATOM 275 SD MET A 18 -0.576 23.927 14.645 1.00 50.00 S ATOM 276 CE MET A 18 0.642 24.863 13.688 1.00 50.00 C ATOM 0 H MET A 18 0.276 26.947 17.448 1.00 50.00 H new ATOM 0 HA MET A 18 -1.297 24.837 18.809 1.00 50.00 H new ATOM 0 HB2 MET A 18 1.211 24.774 17.030 1.00 50.00 H new ATOM 0 HB3 MET A 18 0.075 23.461 17.270 1.00 50.00 H new ATOM 0 HG2 MET A 18 -1.730 25.173 16.359 1.00 50.00 H new ATOM 0 HG3 MET A 18 -0.348 26.061 15.748 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.865 24.331 12.764 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.240 25.848 13.451 1.00 50.00 H new ATOM 0 HE3 MET A 18 1.555 24.975 14.272 1.00 50.00 H new ATOM 286 N ASP A 19 1.887 25.245 19.550 1.00 50.00 N ATOM 287 CA ASP A 19 2.862 24.928 20.634 1.00 50.00 C ATOM 288 C ASP A 19 3.644 26.180 21.043 1.00 50.00 C ATOM 289 O ASP A 19 4.468 26.141 21.936 1.00 50.00 O ATOM 290 CB ASP A 19 3.800 23.885 20.029 1.00 50.00 C ATOM 291 CG ASP A 19 4.490 23.110 21.152 1.00 50.00 C ATOM 292 OD1 ASP A 19 4.434 23.567 22.281 1.00 50.00 O ATOM 293 OD2 ASP A 19 5.063 22.072 20.864 1.00 50.00 O ATOM 0 H ASP A 19 2.265 25.775 18.765 1.00 50.00 H new ATOM 0 HA ASP A 19 2.367 24.563 21.534 1.00 50.00 H new ATOM 0 HB2 ASP A 19 3.239 23.201 19.392 1.00 50.00 H new ATOM 0 HB3 ASP A 19 4.544 24.371 19.398 1.00 50.00 H new ATOM 298 N ASP A 20 3.398 27.291 20.403 1.00 50.00 N ATOM 299 CA ASP A 20 4.135 28.535 20.769 1.00 50.00 C ATOM 300 C ASP A 20 3.568 29.120 22.065 1.00 50.00 C ATOM 301 O ASP A 20 4.293 29.411 22.995 1.00 50.00 O ATOM 302 CB ASP A 20 3.905 29.495 19.602 1.00 50.00 C ATOM 303 CG ASP A 20 5.243 30.105 19.175 1.00 50.00 C ATOM 304 OD1 ASP A 20 6.125 30.194 20.012 1.00 50.00 O ATOM 305 OD2 ASP A 20 5.361 30.472 18.017 1.00 50.00 O ATOM 0 H ASP A 20 2.722 27.391 19.646 1.00 50.00 H new ATOM 0 HA ASP A 20 5.196 28.351 20.939 1.00 50.00 H new ATOM 0 HB2 ASP A 20 3.450 28.965 18.765 1.00 50.00 H new ATOM 0 HB3 ASP A 20 3.211 30.282 19.896 1.00 50.00 H new ATOM 310 N ASP A 21 2.276 29.293 22.134 1.00 50.00 N ATOM 311 CA ASP A 21 1.664 29.857 23.371 1.00 50.00 C ATOM 312 C ASP A 21 1.684 28.813 24.491 1.00 50.00 C ATOM 313 O ASP A 21 1.266 29.073 25.601 1.00 50.00 O ATOM 314 CB ASP A 21 0.226 30.196 22.981 1.00 50.00 C ATOM 315 CG ASP A 21 -0.455 30.929 24.139 1.00 50.00 C ATOM 316 OD1 ASP A 21 -0.219 32.117 24.283 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.201 30.290 24.862 1.00 50.00 O ATOM 0 H ASP A 21 1.618 29.068 21.388 1.00 50.00 H new ATOM 0 HA ASP A 21 2.203 30.730 23.739 1.00 50.00 H new ATOM 0 HB2 ASP A 21 0.217 30.819 22.086 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.322 29.285 22.740 1.00 50.00 H new ATOM 322 N ASP A 22 2.166 27.635 24.207 1.00 50.00 N ATOM 323 CA ASP A 22 2.212 26.576 25.253 1.00 50.00 C ATOM 324 C ASP A 22 0.848 26.442 25.931 1.00 50.00 C ATOM 325 O ASP A 22 0.741 26.445 27.141 1.00 50.00 O ATOM 326 CB ASP A 22 3.266 27.049 26.254 1.00 50.00 C ATOM 327 CG ASP A 22 4.627 26.463 25.878 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.660 25.599 25.016 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.614 26.886 26.458 1.00 50.00 O ATOM 0 H ASP A 22 2.530 27.360 23.295 1.00 50.00 H new ATOM 0 HA ASP A 22 2.457 25.598 24.838 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.316 28.138 26.258 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.991 26.739 27.262 1.00 50.00 H new ATOM 334 N LEU A 23 -0.194 26.318 25.159 1.00 50.00 N ATOM 335 CA LEU A 23 -1.550 26.177 25.761 1.00 50.00 C ATOM 336 C LEU A 23 -1.543 25.046 26.791 1.00 50.00 C ATOM 337 O LEU A 23 -2.148 25.141 27.840 1.00 50.00 O ATOM 338 CB LEU A 23 -2.474 25.832 24.593 1.00 50.00 C ATOM 339 CG LEU A 23 -2.696 27.076 23.730 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.495 26.694 22.482 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.473 28.122 24.532 1.00 50.00 C ATOM 0 H LEU A 23 -0.167 26.308 24.139 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.872 27.082 26.275 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.036 25.034 23.993 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.428 25.462 24.968 1.00 50.00 H new ATOM 0 HG LEU A 23 -1.732 27.489 23.433 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.654 27.579 21.866 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -2.942 25.949 21.910 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.459 26.281 22.779 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -3.631 29.008 23.917 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.437 27.710 24.829 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -2.905 28.394 25.422 1.00 50.00 H new ATOM 353 N PHE A 24 -0.855 23.976 26.497 1.00 50.00 N ATOM 354 CA PHE A 24 -0.801 22.835 27.455 1.00 50.00 C ATOM 355 C PHE A 24 -0.233 23.302 28.798 1.00 50.00 C ATOM 356 O PHE A 24 -0.363 22.636 29.804 1.00 50.00 O ATOM 357 CB PHE A 24 0.137 21.817 26.805 1.00 50.00 C ATOM 358 CG PHE A 24 -0.597 21.085 25.707 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.701 20.281 26.016 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.174 21.211 24.379 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.380 19.602 24.997 1.00 50.00 C ATOM 362 CE2 PHE A 24 -0.852 20.532 23.360 1.00 50.00 C ATOM 363 CZ PHE A 24 -1.956 19.728 23.669 1.00 50.00 C ATOM 0 H PHE A 24 -0.328 23.843 25.634 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.787 22.414 27.653 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.013 22.322 26.398 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.496 21.109 27.552 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -2.029 20.185 27.041 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.676 21.833 24.140 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -3.231 18.981 25.236 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -0.524 20.628 22.336 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.480 19.205 22.883 1.00 50.00 H new ATOM 373 N GLU A 25 0.397 24.445 28.819 1.00 50.00 N ATOM 374 CA GLU A 25 0.973 24.956 30.096 1.00 50.00 C ATOM 375 C GLU A 25 0.221 26.210 30.548 1.00 50.00 C ATOM 376 O GLU A 25 -0.026 26.410 31.720 1.00 50.00 O ATOM 377 CB GLU A 25 2.429 25.289 29.769 1.00 50.00 C ATOM 378 CG GLU A 25 3.232 23.994 29.640 1.00 50.00 C ATOM 379 CD GLU A 25 4.428 24.037 30.593 1.00 50.00 C ATOM 380 OE1 GLU A 25 4.259 23.661 31.741 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.491 24.447 30.158 1.00 50.00 O ATOM 0 H GLU A 25 0.538 25.047 28.008 1.00 50.00 H new ATOM 0 HA GLU A 25 0.895 24.230 30.906 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.483 25.857 28.840 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.854 25.917 30.552 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.600 23.137 29.872 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.576 23.868 28.613 1.00 50.00 H new ATOM 388 N LYS A 26 -0.147 27.057 29.625 1.00 50.00 N ATOM 389 CA LYS A 26 -0.883 28.296 30.003 1.00 50.00 C ATOM 390 C LYS A 26 -2.333 27.957 30.359 1.00 50.00 C ATOM 391 O LYS A 26 -2.960 28.623 31.157 1.00 50.00 O ATOM 392 CB LYS A 26 -0.828 29.187 28.763 1.00 50.00 C ATOM 393 CG LYS A 26 -0.454 30.612 29.174 1.00 50.00 C ATOM 394 CD LYS A 26 0.938 30.949 28.635 1.00 50.00 C ATOM 395 CE LYS A 26 1.456 32.217 29.317 1.00 50.00 C ATOM 396 NZ LYS A 26 0.316 33.174 29.259 1.00 50.00 N ATOM 0 H LYS A 26 0.030 26.944 28.627 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.447 28.787 30.873 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.097 28.798 28.055 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.794 29.185 28.258 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -1.187 31.318 28.785 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -0.467 30.704 30.260 1.00 50.00 H new ATOM 0 HD2 LYS A 26 1.621 30.120 28.818 1.00 50.00 H new ATOM 0 HD3 LYS A 26 0.896 31.095 27.556 1.00 50.00 H new ATOM 0 HE2 LYS A 26 1.754 32.019 30.347 1.00 50.00 H new ATOM 0 HE3 LYS A 26 2.331 32.613 28.803 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 0.677 34.148 29.316 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -0.198 33.047 28.364 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -0.328 32.996 30.056 1.00 50.00 H new ATOM 410 N ALA A 27 -2.867 26.921 29.773 1.00 50.00 N ATOM 411 CA ALA A 27 -4.275 26.535 30.079 1.00 50.00 C ATOM 412 C ALA A 27 -4.398 26.114 31.545 1.00 50.00 C ATOM 413 O ALA A 27 -5.483 25.970 32.071 1.00 50.00 O ATOM 414 CB ALA A 27 -4.571 25.354 29.154 1.00 50.00 C ATOM 0 H ALA A 27 -2.391 26.325 29.096 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.974 27.357 29.925 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.592 25.010 29.318 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.456 25.667 28.116 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.876 24.542 29.367 1.00 50.00 H new ATOM 420 N ALA A 28 -3.291 25.916 32.208 1.00 50.00 N ATOM 421 CA ALA A 28 -3.343 25.506 33.640 1.00 50.00 C ATOM 422 C ALA A 28 -3.521 26.736 34.536 1.00 50.00 C ATOM 423 O ALA A 28 -3.908 26.629 35.683 1.00 50.00 O ATOM 424 CB ALA A 28 -1.995 24.835 33.908 1.00 50.00 C ATOM 0 H ALA A 28 -2.353 26.020 31.820 1.00 50.00 H new ATOM 0 HA ALA A 28 -4.179 24.838 33.850 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.954 24.503 34.945 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.879 23.976 33.247 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -1.191 25.547 33.722 1.00 50.00 H new ATOM 430 N ASP A 29 -3.242 27.903 34.022 1.00 50.00 N ATOM 431 CA ASP A 29 -3.399 29.137 34.845 1.00 50.00 C ATOM 432 C ASP A 29 -4.798 29.729 34.649 1.00 50.00 C ATOM 433 O ASP A 29 -5.211 30.619 35.363 1.00 50.00 O ATOM 434 CB ASP A 29 -2.333 30.101 34.321 1.00 50.00 C ATOM 435 CG ASP A 29 -0.956 29.663 34.824 1.00 50.00 C ATOM 436 OD1 ASP A 29 -0.773 29.619 36.028 1.00 50.00 O ATOM 437 OD2 ASP A 29 -0.107 29.380 33.994 1.00 50.00 O ATOM 0 H ASP A 29 -2.912 28.056 33.069 1.00 50.00 H new ATOM 0 HA ASP A 29 -3.283 28.940 35.911 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -2.346 30.116 33.231 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -2.549 31.115 34.657 1.00 50.00 H new ATOM 442 N ALA A 30 -5.529 29.239 33.684 1.00 50.00 N ATOM 443 CA ALA A 30 -6.899 29.773 33.440 1.00 50.00 C ATOM 444 C ALA A 30 -7.938 28.932 34.185 1.00 50.00 C ATOM 445 O ALA A 30 -8.937 29.434 34.659 1.00 50.00 O ATOM 446 CB ALA A 30 -7.104 29.662 31.931 1.00 50.00 C ATOM 0 H ALA A 30 -5.236 28.492 33.054 1.00 50.00 H new ATOM 0 HA ALA A 30 -7.010 30.798 33.793 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -8.094 30.037 31.670 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -6.345 30.252 31.416 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -7.020 28.618 31.628 1.00 50.00 H new ATOM 452 N GLY A 31 -7.706 27.653 34.292 1.00 50.00 N ATOM 453 CA GLY A 31 -8.678 26.778 35.005 1.00 50.00 C ATOM 454 C GLY A 31 -9.832 26.423 34.065 1.00 50.00 C ATOM 455 O GLY A 31 -10.983 26.685 34.355 1.00 50.00 O ATOM 0 H GLY A 31 -6.886 27.176 33.917 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -8.182 25.870 35.348 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -9.060 27.287 35.890 1.00 50.00 H new ATOM 459 N LEU A 32 -9.535 25.828 32.942 1.00 50.00 N ATOM 460 CA LEU A 32 -10.618 25.456 31.985 1.00 50.00 C ATOM 461 C LEU A 32 -11.269 24.137 32.415 1.00 50.00 C ATOM 462 O LEU A 32 -10.849 23.509 33.366 1.00 50.00 O ATOM 463 CB LEU A 32 -9.916 25.291 30.636 1.00 50.00 C ATOM 464 CG LEU A 32 -10.021 26.597 29.844 1.00 50.00 C ATOM 465 CD1 LEU A 32 -8.839 26.703 28.877 1.00 50.00 C ATOM 466 CD2 LEU A 32 -11.329 26.608 29.050 1.00 50.00 C ATOM 0 H LEU A 32 -8.590 25.583 32.645 1.00 50.00 H new ATOM 0 HA LEU A 32 -11.409 26.205 31.943 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.869 25.029 30.788 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -10.371 24.475 30.075 1.00 50.00 H new ATOM 0 HG LEU A 32 -10.006 27.442 30.533 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -8.913 27.633 28.313 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.906 26.694 29.440 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -8.855 25.858 28.188 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -11.404 27.538 28.486 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -11.344 25.763 28.361 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -12.172 26.531 29.737 1.00 50.00 H new ATOM 478 N ASP A 33 -12.290 23.714 31.720 1.00 50.00 N ATOM 479 CA ASP A 33 -12.963 22.436 32.092 1.00 50.00 C ATOM 480 C ASP A 33 -12.106 21.243 31.660 1.00 50.00 C ATOM 481 O ASP A 33 -11.612 21.189 30.551 1.00 50.00 O ATOM 482 CB ASP A 33 -14.291 22.450 31.333 1.00 50.00 C ATOM 483 CG ASP A 33 -15.401 21.917 32.240 1.00 50.00 C ATOM 484 OD1 ASP A 33 -15.606 20.714 32.250 1.00 50.00 O ATOM 485 OD2 ASP A 33 -16.028 22.721 32.911 1.00 50.00 O ATOM 0 H ASP A 33 -12.686 24.196 30.913 1.00 50.00 H new ATOM 0 HA ASP A 33 -13.112 22.345 33.168 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -14.527 23.464 31.009 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -14.215 21.838 30.434 1.00 50.00 H new ATOM 490 N GLY A 34 -11.924 20.287 32.530 1.00 50.00 N ATOM 491 CA GLY A 34 -11.096 19.100 32.173 1.00 50.00 C ATOM 492 C GLY A 34 -11.635 18.465 30.890 1.00 50.00 C ATOM 493 O GLY A 34 -10.926 17.780 30.180 1.00 50.00 O ATOM 0 H GLY A 34 -12.313 20.277 33.473 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -10.057 19.398 32.035 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.114 18.374 32.986 1.00 50.00 H new ATOM 497 N GLU A 35 -12.884 18.682 30.585 1.00 50.00 N ATOM 498 CA GLU A 35 -13.460 18.083 29.347 1.00 50.00 C ATOM 499 C GLU A 35 -12.849 18.740 28.105 1.00 50.00 C ATOM 500 O GLU A 35 -13.080 18.313 26.991 1.00 50.00 O ATOM 501 CB GLU A 35 -14.960 18.374 29.422 1.00 50.00 C ATOM 502 CG GLU A 35 -15.707 17.414 28.495 1.00 50.00 C ATOM 503 CD GLU A 35 -17.040 17.018 29.134 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.009 16.391 30.181 1.00 50.00 O ATOM 505 OE2 GLU A 35 -18.069 17.348 28.568 1.00 50.00 O ATOM 0 H GLU A 35 -13.530 19.246 31.137 1.00 50.00 H new ATOM 0 HA GLU A 35 -13.255 17.015 29.275 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -15.314 18.258 30.446 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -15.157 19.406 29.131 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -15.882 17.887 27.529 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -15.102 16.526 28.310 1.00 50.00 H new ATOM 512 N ASP A 36 -12.075 19.775 28.284 1.00 50.00 N ATOM 513 CA ASP A 36 -11.458 20.456 27.109 1.00 50.00 C ATOM 514 C ASP A 36 -9.929 20.392 27.185 1.00 50.00 C ATOM 515 O ASP A 36 -9.261 20.131 26.204 1.00 50.00 O ATOM 516 CB ASP A 36 -11.934 21.906 27.198 1.00 50.00 C ATOM 517 CG ASP A 36 -13.208 22.079 26.369 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.463 21.234 25.526 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.908 23.053 26.591 1.00 50.00 O ATOM 0 H ASP A 36 -11.843 20.179 29.192 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.744 19.984 26.169 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -12.125 22.174 28.237 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.157 22.578 26.834 1.00 50.00 H new ATOM 524 N TYR A 37 -9.366 20.636 28.337 1.00 12.50 N ATOM 525 CA TYR A 37 -7.879 20.596 28.460 1.00 12.50 C ATOM 526 C TYR A 37 -7.464 19.806 29.705 1.00 12.50 C ATOM 527 O TYR A 37 -8.094 19.882 30.741 1.00 12.50 O ATOM 528 CB TYR A 37 -7.461 22.067 28.581 1.00 12.50 C ATOM 529 CG TYR A 37 -6.096 22.167 29.226 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.972 21.646 28.575 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.959 22.780 30.477 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.711 21.739 29.175 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.698 22.874 31.077 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.574 22.353 30.426 1.00 12.50 C ATOM 535 OH TYR A 37 -2.332 22.445 31.018 1.00 50.00 O ATOM 0 H TYR A 37 -9.868 20.861 29.196 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.404 20.103 27.612 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.441 22.530 27.594 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -8.194 22.614 29.175 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -5.078 21.172 27.610 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.827 23.181 30.980 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.843 21.337 28.673 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.592 23.348 32.042 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.637 22.292 30.345 1.00 50.00 H new ATOM 545 N GLY A 38 -6.400 19.052 29.611 1.00 10.00 N ATOM 546 CA GLY A 38 -5.940 18.264 30.788 1.00 10.00 C ATOM 547 C GLY A 38 -4.877 17.258 30.343 1.00 10.00 C ATOM 548 O GLY A 38 -4.759 16.940 29.176 1.00 10.00 O ATOM 0 H GLY A 38 -5.832 18.949 28.770 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.531 18.930 31.548 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.783 17.742 31.242 1.00 10.00 H new ATOM 552 N THR A 39 -4.102 16.755 31.263 1.00 10.00 N ATOM 553 CA THR A 39 -3.049 15.768 30.890 1.00 10.00 C ATOM 554 C THR A 39 -3.623 14.350 30.911 1.00 10.00 C ATOM 555 O THR A 39 -4.033 13.852 31.940 1.00 10.00 O ATOM 556 CB THR A 39 -1.965 15.924 31.958 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.738 17.304 32.204 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.671 15.270 31.472 1.00 50.00 C ATOM 0 H THR A 39 -4.152 16.984 32.256 1.00 10.00 H new ATOM 0 HA THR A 39 -2.660 15.938 29.886 1.00 10.00 H new ATOM 0 HB THR A 39 -2.290 15.441 32.879 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.045 17.404 32.889 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.101 15.381 32.233 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.847 14.211 31.285 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.344 15.751 30.550 1.00 50.00 H new ATOM 566 N MET A 40 -3.656 13.695 29.782 1.00 10.00 N ATOM 567 CA MET A 40 -4.204 12.310 29.745 1.00 10.00 C ATOM 568 C MET A 40 -3.141 11.311 30.211 1.00 10.00 C ATOM 569 O MET A 40 -2.592 10.563 29.428 1.00 10.00 O ATOM 570 CB MET A 40 -4.567 12.062 28.281 1.00 10.00 C ATOM 571 CG MET A 40 -6.088 11.993 28.141 1.00 10.00 C ATOM 572 SD MET A 40 -6.558 12.410 26.443 1.00 12.50 S ATOM 573 CE MET A 40 -6.553 10.723 25.789 1.00 50.00 C ATOM 0 H MET A 40 -3.328 14.058 28.887 1.00 10.00 H new ATOM 0 HA MET A 40 -5.066 12.190 30.402 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.169 12.861 27.656 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.116 11.132 27.935 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.442 10.993 28.392 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.560 12.683 28.840 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.434 10.572 25.166 1.00 50.00 H new ATOM 0 HE2 MET A 40 -5.655 10.567 25.191 1.00 50.00 H new ATOM 0 HE3 MET A 40 -6.567 10.012 26.615 1.00 50.00 H new ATOM 583 N GLU A 41 -2.848 11.293 31.483 1.00 10.00 N ATOM 584 CA GLU A 41 -1.819 10.343 31.998 1.00 10.00 C ATOM 585 C GLU A 41 -2.368 8.913 31.999 1.00 10.00 C ATOM 586 O GLU A 41 -3.304 8.597 32.705 1.00 10.00 O ATOM 587 CB GLU A 41 -1.535 10.807 33.428 1.00 10.00 C ATOM 588 CG GLU A 41 -0.202 10.222 33.898 1.00 10.00 C ATOM 589 CD GLU A 41 0.077 10.677 35.331 1.00 12.50 C ATOM 590 OE1 GLU A 41 -0.785 11.323 35.905 1.00 12.50 O ATOM 591 OE2 GLU A 41 1.147 10.374 35.831 1.00 12.50 O ATOM 0 H GLU A 41 -3.276 11.894 32.188 1.00 10.00 H new ATOM 0 HA GLU A 41 -0.919 10.336 31.382 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.501 11.896 33.469 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.339 10.488 34.092 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.233 9.133 33.850 1.00 10.00 H new ATOM 0 HG3 GLU A 41 0.603 10.547 33.239 1.00 10.00 H new ATOM 598 N VAL A 42 -1.788 8.047 31.214 1.00 10.00 N ATOM 599 CA VAL A 42 -2.272 6.636 31.172 1.00 10.00 C ATOM 600 C VAL A 42 -1.085 5.671 31.241 1.00 10.00 C ATOM 601 O VAL A 42 0.040 6.036 30.963 1.00 10.00 O ATOM 602 CB VAL A 42 -2.998 6.502 29.832 1.00 10.00 C ATOM 603 CG1 VAL A 42 -3.929 7.700 29.634 1.00 10.00 C ATOM 604 CG2 VAL A 42 -1.972 6.460 28.698 1.00 10.00 C ATOM 0 H VAL A 42 -1.000 8.254 30.600 1.00 10.00 H new ATOM 0 HA VAL A 42 -2.925 6.398 32.011 1.00 10.00 H new ATOM 0 HB VAL A 42 -3.583 5.583 29.826 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -4.446 7.605 28.679 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -4.660 7.730 30.442 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.344 8.620 29.640 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -2.489 6.365 27.743 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -1.386 7.379 28.703 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -1.309 5.606 28.839 1.00 10.00 H new ATOM 614 N ALA A 43 -1.326 4.442 31.608 1.00 10.00 N ATOM 615 CA ALA A 43 -0.208 3.457 31.693 1.00 10.00 C ATOM 616 C ALA A 43 0.152 2.946 30.296 1.00 10.00 C ATOM 617 O ALA A 43 -0.709 2.608 29.509 1.00 10.00 O ATOM 618 CB ALA A 43 -0.750 2.319 32.556 1.00 50.00 C ATOM 0 H ALA A 43 -2.247 4.077 31.852 1.00 10.00 H new ATOM 0 HA ALA A 43 0.697 3.894 32.115 1.00 10.00 H new ATOM 0 HB1 ALA A 43 0.015 1.550 32.667 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -1.022 2.705 33.538 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -1.630 1.888 32.079 1.00 50.00 H new ATOM 624 N GLU A 44 1.417 2.882 29.982 1.00 10.00 N ATOM 625 CA GLU A 44 1.824 2.390 28.636 1.00 10.00 C ATOM 626 C GLU A 44 1.008 1.150 28.264 1.00 10.00 C ATOM 627 O GLU A 44 1.113 0.114 28.891 1.00 10.00 O ATOM 628 CB GLU A 44 3.307 2.041 28.770 1.00 10.00 C ATOM 629 CG GLU A 44 4.076 2.625 27.583 1.00 10.00 C ATOM 630 CD GLU A 44 4.216 1.562 26.492 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.205 1.193 25.919 1.00 25.00 O ATOM 632 OE2 GLU A 44 5.333 1.135 26.248 1.00 25.00 O ATOM 0 H GLU A 44 2.185 3.149 30.598 1.00 10.00 H new ATOM 0 HA GLU A 44 1.653 3.130 27.854 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.702 2.439 29.705 1.00 10.00 H new ATOM 0 HB3 GLU A 44 3.436 0.959 28.804 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.553 3.497 27.191 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.061 2.963 27.905 1.00 10.00 H new ATOM 639 N GLY A 45 0.190 1.253 27.255 1.00 10.00 N ATOM 640 CA GLY A 45 -0.642 0.089 26.845 1.00 10.00 C ATOM 641 C GLY A 45 -2.115 0.402 27.116 1.00 10.00 C ATOM 642 O GLY A 45 -2.977 -0.443 26.976 1.00 10.00 O ATOM 0 H GLY A 45 0.062 2.096 26.695 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.492 -0.125 25.787 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.340 -0.801 27.396 1.00 10.00 H new ATOM 646 N GLU A 46 -2.412 1.615 27.503 1.00 10.00 N ATOM 647 CA GLU A 46 -3.829 1.984 27.782 1.00 10.00 C ATOM 648 C GLU A 46 -4.460 2.631 26.547 1.00 10.00 C ATOM 649 O GLU A 46 -3.901 3.529 25.951 1.00 10.00 O ATOM 650 CB GLU A 46 -3.755 2.989 28.933 1.00 10.00 C ATOM 651 CG GLU A 46 -4.819 2.646 29.979 1.00 10.00 C ATOM 652 CD GLU A 46 -4.395 1.390 30.742 1.00 10.00 C ATOM 653 OE1 GLU A 46 -3.479 0.725 30.288 1.00 10.00 O ATOM 654 OE2 GLU A 46 -4.995 1.114 31.768 1.00 10.00 O ATOM 0 H GLU A 46 -1.734 2.365 27.638 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.440 1.117 28.034 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.764 2.967 29.386 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -3.911 4.000 28.558 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -4.947 3.479 30.670 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -5.782 2.483 29.495 1.00 10.00 H new ATOM 661 N TYR A 47 -5.625 2.185 26.163 1.00 10.00 N ATOM 662 CA TYR A 47 -6.291 2.779 24.969 1.00 10.00 C ATOM 663 C TYR A 47 -6.638 4.246 25.240 1.00 10.00 C ATOM 664 O TYR A 47 -7.395 4.561 26.136 1.00 10.00 O ATOM 665 CB TYR A 47 -7.564 1.955 24.772 1.00 10.00 C ATOM 666 CG TYR A 47 -7.262 0.754 23.906 1.00 10.00 C ATOM 667 CD1 TYR A 47 -5.985 0.180 23.925 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.259 0.216 23.083 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.706 -0.932 23.122 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.979 -0.897 22.281 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.703 -1.470 22.300 1.00 10.00 C ATOM 672 OH TYR A 47 -6.427 -2.566 21.507 1.00 10.00 O ATOM 0 H TYR A 47 -6.143 1.437 26.623 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.654 2.758 24.085 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.953 1.631 25.738 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.337 2.567 24.306 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.216 0.595 24.559 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.244 0.659 23.067 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.721 -1.375 23.137 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.748 -1.313 21.648 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.228 -2.813 21.000 1.00 10.00 H new ATOM 682 N ILE A 48 -6.084 5.145 24.474 1.00 10.00 N ATOM 683 CA ILE A 48 -6.375 6.592 24.687 1.00 10.00 C ATOM 684 C ILE A 48 -7.866 6.806 24.966 1.00 10.00 C ATOM 685 O ILE A 48 -8.271 6.998 26.095 1.00 10.00 O ATOM 686 CB ILE A 48 -5.967 7.273 23.381 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.453 7.151 23.193 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.357 8.751 23.433 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.738 7.820 24.368 1.00 10.00 C ATOM 0 H ILE A 48 -5.441 4.940 23.709 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.837 6.997 25.544 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.477 6.792 22.546 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.167 6.101 23.130 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.153 7.620 22.256 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.066 9.237 22.502 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.435 8.838 23.567 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.848 9.232 24.268 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.660 7.733 24.235 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.015 8.873 24.410 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.029 7.331 25.297 1.00 10.00 H new ATOM 701 N LEU A 49 -8.684 6.781 23.948 1.00 10.00 N ATOM 702 CA LEU A 49 -10.147 6.990 24.161 1.00 10.00 C ATOM 703 C LEU A 49 -10.614 6.233 25.406 1.00 10.00 C ATOM 704 O LEU A 49 -11.476 6.687 26.133 1.00 10.00 O ATOM 705 CB LEU A 49 -10.818 6.430 22.907 1.00 10.00 C ATOM 706 CG LEU A 49 -12.321 6.288 23.157 1.00 10.00 C ATOM 707 CD1 LEU A 49 -13.093 6.964 22.022 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.690 4.803 23.211 1.00 10.00 C ATOM 0 H LEU A 49 -8.404 6.625 22.980 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.394 8.040 24.318 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.640 7.092 22.059 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.387 5.462 22.652 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.579 6.762 24.104 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -14.164 6.863 22.200 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.830 8.021 21.982 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.836 6.490 21.075 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.760 4.700 23.389 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.433 4.329 22.264 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.140 4.321 24.019 1.00 10.00 H new ATOM 720 N GLU A 50 -10.048 5.086 25.663 1.00 10.00 N ATOM 721 CA GLU A 50 -10.458 4.309 26.868 1.00 10.00 C ATOM 722 C GLU A 50 -10.008 5.040 28.135 1.00 10.00 C ATOM 723 O GLU A 50 -10.783 5.258 29.047 1.00 10.00 O ATOM 724 CB GLU A 50 -9.740 2.966 26.738 1.00 10.00 C ATOM 725 CG GLU A 50 -10.540 1.886 27.470 1.00 10.00 C ATOM 726 CD GLU A 50 -10.853 0.740 26.505 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.958 -0.045 26.240 1.00 50.00 O ATOM 728 OE2 GLU A 50 -11.982 0.669 26.048 1.00 50.00 O ATOM 0 H GLU A 50 -9.321 4.654 25.093 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.539 4.184 26.936 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.629 2.701 25.686 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.736 3.036 27.157 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -9.972 1.513 28.322 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.465 2.307 27.863 1.00 10.00 H new ATOM 735 N ALA A 51 -8.763 5.428 28.195 1.00 10.00 N ATOM 736 CA ALA A 51 -8.268 6.151 29.401 1.00 10.00 C ATOM 737 C ALA A 51 -8.870 7.556 29.447 1.00 10.00 C ATOM 738 O ALA A 51 -9.148 8.091 30.501 1.00 10.00 O ATOM 739 CB ALA A 51 -6.750 6.221 29.227 1.00 12.50 C ATOM 0 H ALA A 51 -8.069 5.276 27.463 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.545 5.652 30.330 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.310 6.741 30.078 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.343 5.211 29.169 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.513 6.761 28.310 1.00 12.50 H new ATOM 745 N ALA A 52 -9.079 8.150 28.307 1.00 10.00 N ATOM 746 CA ALA A 52 -9.672 9.516 28.274 1.00 10.00 C ATOM 747 C ALA A 52 -11.181 9.433 28.503 1.00 10.00 C ATOM 748 O ALA A 52 -11.793 10.346 29.021 1.00 10.00 O ATOM 749 CB ALA A 52 -9.362 10.050 26.876 1.00 10.00 C ATOM 0 H ALA A 52 -8.865 7.748 27.394 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.268 10.166 29.050 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.768 11.056 26.773 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.282 10.077 26.728 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.814 9.398 26.129 1.00 10.00 H new ATOM 755 N GLU A 53 -11.783 8.339 28.130 1.00 10.00 N ATOM 756 CA GLU A 53 -13.252 8.190 28.337 1.00 10.00 C ATOM 757 C GLU A 53 -13.546 8.043 29.828 1.00 10.00 C ATOM 758 O GLU A 53 -14.546 8.523 30.327 1.00 10.00 O ATOM 759 CB GLU A 53 -13.636 6.917 27.581 1.00 10.00 C ATOM 760 CG GLU A 53 -15.089 6.552 27.894 1.00 10.00 C ATOM 761 CD GLU A 53 -15.224 5.031 27.984 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.061 4.380 26.965 1.00 10.00 O ATOM 763 OE2 GLU A 53 -15.488 4.541 29.070 1.00 10.00 O ATOM 0 H GLU A 53 -11.323 7.542 27.691 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.815 9.052 27.980 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.511 7.067 26.509 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -12.975 6.099 27.867 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.396 7.011 28.833 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.748 6.941 27.118 1.00 10.00 H new ATOM 770 N ALA A 54 -12.677 7.389 30.543 1.00 10.00 N ATOM 771 CA ALA A 54 -12.896 7.213 32.007 1.00 10.00 C ATOM 772 C ALA A 54 -12.690 8.547 32.729 1.00 10.00 C ATOM 773 O ALA A 54 -12.986 8.682 33.900 1.00 10.00 O ATOM 774 CB ALA A 54 -11.842 6.195 32.446 1.00 50.00 C ATOM 0 H ALA A 54 -11.823 6.967 30.178 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.906 6.876 32.240 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.938 6.011 33.516 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.989 5.262 31.903 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.847 6.586 32.233 1.00 50.00 H new ATOM 780 N GLN A 55 -12.185 9.533 32.038 1.00 10.00 N ATOM 781 CA GLN A 55 -11.961 10.859 32.683 1.00 10.00 C ATOM 782 C GLN A 55 -13.089 11.825 32.312 1.00 10.00 C ATOM 783 O GLN A 55 -13.437 12.708 33.071 1.00 10.00 O ATOM 784 CB GLN A 55 -10.627 11.353 32.121 1.00 10.00 C ATOM 785 CG GLN A 55 -9.572 10.253 32.257 1.00 10.00 C ATOM 786 CD GLN A 55 -9.071 10.205 33.701 1.00 10.00 C ATOM 787 OE1 GLN A 55 -9.525 9.400 34.489 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.145 11.042 34.084 1.00 10.00 N ATOM 0 H GLN A 55 -11.918 9.478 31.055 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.945 10.791 33.771 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.743 11.631 31.074 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.305 12.247 32.655 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.997 9.289 31.976 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.741 10.445 31.578 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.763 11.718 33.422 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.803 11.020 35.045 1.00 10.00 H new ATOM 797 N GLY A 56 -13.662 11.665 31.151 1.00 10.00 N ATOM 798 CA GLY A 56 -14.766 12.575 30.733 1.00 10.00 C ATOM 799 C GLY A 56 -14.380 13.284 29.433 1.00 10.00 C ATOM 800 O GLY A 56 -14.809 14.389 29.167 1.00 10.00 O ATOM 0 H GLY A 56 -13.414 10.944 30.474 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.685 12.007 30.591 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.963 13.308 31.515 1.00 10.00 H new ATOM 804 N TYR A 57 -13.573 12.658 28.620 1.00 10.00 N ATOM 805 CA TYR A 57 -13.161 13.299 27.337 1.00 10.00 C ATOM 806 C TYR A 57 -13.970 12.722 26.173 1.00 10.00 C ATOM 807 O TYR A 57 -13.711 11.631 25.704 1.00 10.00 O ATOM 808 CB TYR A 57 -11.677 12.963 27.186 1.00 10.00 C ATOM 809 CG TYR A 57 -10.930 13.404 28.423 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.431 14.446 29.216 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.738 12.768 28.779 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.735 14.848 30.363 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.043 13.169 29.923 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.541 14.209 30.717 1.00 12.50 C ATOM 815 OH TYR A 57 -8.855 14.605 31.848 1.00 12.50 O ATOM 0 H TYR A 57 -13.181 11.731 28.788 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.335 14.375 27.336 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.550 11.891 27.035 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.269 13.460 26.306 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.353 14.938 28.943 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.353 11.965 28.169 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.120 15.651 30.974 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.121 12.676 30.195 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.629 15.556 31.778 1.00 12.50 H new ATOM 825 N ASP A 58 -14.951 13.445 25.707 1.00 10.00 N ATOM 826 CA ASP A 58 -15.781 12.940 24.575 1.00 10.00 C ATOM 827 C ASP A 58 -15.085 13.219 23.239 1.00 10.00 C ATOM 828 O ASP A 58 -14.256 14.101 23.132 1.00 10.00 O ATOM 829 CB ASP A 58 -17.092 13.722 24.667 1.00 10.00 C ATOM 830 CG ASP A 58 -18.133 13.087 23.743 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.916 13.099 22.543 1.00 10.00 O ATOM 832 OD2 ASP A 58 -19.129 12.601 24.251 1.00 10.00 O ATOM 0 H ASP A 58 -15.214 14.365 26.061 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.941 11.863 24.630 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.455 13.723 25.695 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -16.927 14.762 24.386 1.00 10.00 H new ATOM 837 N TRP A 59 -15.419 12.475 22.220 1.00 10.00 N ATOM 838 CA TRP A 59 -14.781 12.700 20.892 1.00 10.00 C ATOM 839 C TRP A 59 -15.833 12.603 19.784 1.00 10.00 C ATOM 840 O TRP A 59 -16.846 11.952 19.941 1.00 10.00 O ATOM 841 CB TRP A 59 -13.737 11.591 20.759 1.00 10.00 C ATOM 842 CG TRP A 59 -12.765 11.701 21.889 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.015 11.321 23.163 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.404 12.224 21.877 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.898 11.580 23.934 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.878 12.134 23.188 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.584 12.761 20.870 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.586 12.562 23.489 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.280 13.193 21.170 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.783 13.093 22.478 1.00 50.00 C ATOM 0 H TRP A 59 -16.106 11.721 22.250 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.327 13.687 20.808 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.221 10.614 20.772 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.217 11.676 19.805 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.937 10.886 23.519 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.835 11.385 24.933 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.958 12.842 19.860 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.209 12.483 24.498 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.658 13.604 20.389 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.781 13.426 22.703 1.00 50.00 H new ATOM 861 N PRO A 60 -15.556 13.274 18.702 1.00 10.00 N ATOM 862 CA PRO A 60 -16.487 13.290 17.551 1.00 10.00 C ATOM 863 C PRO A 60 -16.343 12.019 16.709 1.00 10.00 C ATOM 864 O PRO A 60 -15.463 11.210 16.929 1.00 10.00 O ATOM 865 CB PRO A 60 -16.049 14.519 16.762 1.00 10.00 C ATOM 866 CG PRO A 60 -14.609 14.738 17.124 1.00 10.00 C ATOM 867 CD PRO A 60 -14.354 14.074 18.455 1.00 10.00 C ATOM 0 HA PRO A 60 -17.534 13.326 17.851 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -16.164 14.358 15.690 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.655 15.387 17.021 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.956 14.319 16.358 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.389 15.804 17.182 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.461 13.449 18.422 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.199 14.811 19.243 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.225 11.620 15.484 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.479 13.089 15.550 1.00 10.00 C ATOM 1013 C ALA A 72 -9.554 13.750 16.574 1.00 10.00 C ATOM 1014 O ALA A 72 -9.936 14.679 17.262 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.938 13.218 15.986 1.00 10.00 C ATOM 0 HA ALA A 72 -10.290 13.580 14.595 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.204 14.273 16.059 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.581 12.731 15.253 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.071 12.743 16.958 1.00 10.00 H new ATOM 1021 N SER A 73 -8.340 13.282 16.678 1.00 10.00 N ATOM 1022 CA SER A 73 -7.390 13.886 17.654 1.00 10.00 C ATOM 1023 C SER A 73 -6.207 14.516 16.912 1.00 10.00 C ATOM 1024 O SER A 73 -5.526 13.864 16.145 1.00 10.00 O ATOM 1025 CB SER A 73 -6.918 12.719 18.523 1.00 50.00 C ATOM 1026 OG SER A 73 -8.042 12.071 19.101 1.00 50.00 O ATOM 0 H SER A 73 -7.965 12.508 16.129 1.00 10.00 H new ATOM 0 HA SER A 73 -7.851 14.674 18.249 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.347 12.012 17.921 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.252 13.081 19.306 1.00 50.00 H new ATOM 0 HG SER A 73 -8.028 12.197 20.073 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.957 15.779 17.134 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.819 16.445 16.439 1.00 10.00 C ATOM 1034 C ILE A 74 -3.552 16.338 17.291 1.00 10.00 C ATOM 1035 O ILE A 74 -3.285 17.171 18.135 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.249 17.904 16.287 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.553 17.969 15.490 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -4.161 18.683 15.547 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.416 17.127 14.220 1.00 10.00 C ATOM 0 H ILE A 74 -6.491 16.377 17.765 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.593 15.988 15.476 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.402 18.342 17.273 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.381 17.601 16.096 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.782 19.003 15.231 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.468 19.723 15.439 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.231 18.636 16.113 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -4.007 18.246 14.560 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.345 17.173 13.651 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.599 17.516 13.612 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -6.207 16.092 14.490 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.775 15.312 17.080 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.527 15.143 17.882 1.00 10.00 C ATOM 1053 C VAL A 75 -0.616 16.364 17.726 1.00 10.00 C ATOM 1054 O VAL A 75 -0.218 16.719 16.633 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.855 13.897 17.305 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.341 14.200 15.896 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.318 13.490 18.199 1.00 50.00 C ATOM 0 H VAL A 75 -2.948 14.583 16.388 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.735 15.043 18.947 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.578 13.082 17.260 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.138 13.312 15.485 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.176 14.490 15.259 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.382 15.015 15.940 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.798 12.602 17.788 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.041 14.305 18.244 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -0.048 13.273 19.203 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.275 17.005 18.813 1.00 10.00 N ATOM 1068 CA LYS A 76 0.618 18.197 18.730 1.00 10.00 C ATOM 1069 C LYS A 76 2.080 17.765 18.889 1.00 10.00 C ATOM 1070 O LYS A 76 2.993 18.529 18.651 1.00 10.00 O ATOM 1071 CB LYS A 76 0.195 19.087 19.898 1.00 25.00 C ATOM 1072 CG LYS A 76 -0.267 20.444 19.364 1.00 25.00 C ATOM 1073 CD LYS A 76 -1.635 20.289 18.696 1.00 50.00 C ATOM 1074 CE LYS A 76 -1.639 21.038 17.363 1.00 50.00 C ATOM 1075 NZ LYS A 76 -2.255 22.359 17.671 1.00 50.00 N ATOM 0 H LYS A 76 -0.577 16.754 19.755 1.00 10.00 H new ATOM 0 HA LYS A 76 0.537 18.713 17.773 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.610 18.612 20.458 1.00 25.00 H new ATOM 0 HB3 LYS A 76 1.028 19.220 20.588 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -0.327 21.166 20.178 1.00 25.00 H new ATOM 0 HG3 LYS A 76 0.458 20.831 18.648 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -1.855 19.234 18.533 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -2.416 20.680 19.348 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -0.628 21.154 16.972 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -2.213 20.500 16.609 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -2.157 22.988 16.849 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -3.264 22.229 17.889 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -1.775 22.783 18.490 1.00 50.00 H new ATOM 1089 N GLU A 77 2.302 16.542 19.289 1.00 10.00 N ATOM 1090 CA GLU A 77 3.700 16.052 19.466 1.00 10.00 C ATOM 1091 C GLU A 77 3.686 14.617 19.998 1.00 10.00 C ATOM 1092 O GLU A 77 2.707 14.162 20.557 1.00 10.00 O ATOM 1093 CB GLU A 77 4.327 16.999 20.492 1.00 10.00 C ATOM 1094 CG GLU A 77 5.605 16.372 21.055 1.00 10.00 C ATOM 1095 CD GLU A 77 6.363 17.413 21.881 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.879 18.348 21.291 1.00 25.00 O ATOM 1097 OE2 GLU A 77 6.415 17.256 23.091 1.00 25.00 O ATOM 0 H GLU A 77 1.574 15.860 19.501 1.00 10.00 H new ATOM 0 HA GLU A 77 4.258 16.042 18.530 1.00 10.00 H new ATOM 0 HB2 GLU A 77 4.555 17.957 20.026 1.00 10.00 H new ATOM 0 HB3 GLU A 77 3.621 17.197 21.299 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.357 15.510 21.675 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.234 16.009 20.242 1.00 10.00 H new ATOM 1104 N GLY A 78 4.763 13.899 19.830 1.00 10.00 N ATOM 1105 CA GLY A 78 4.806 12.494 20.328 1.00 10.00 C ATOM 1106 C GLY A 78 4.199 11.564 19.274 1.00 10.00 C ATOM 1107 O GLY A 78 4.038 11.932 18.128 1.00 10.00 O ATOM 0 H GLY A 78 5.614 14.224 19.370 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.835 12.202 20.538 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.254 12.411 21.264 1.00 10.00 H new ATOM 1111 N GLU A 79 3.862 10.361 19.654 1.00 10.00 N ATOM 1112 CA GLU A 79 3.266 9.411 18.671 1.00 10.00 C ATOM 1113 C GLU A 79 2.543 8.273 19.398 1.00 10.00 C ATOM 1114 O GLU A 79 2.876 7.926 20.513 1.00 10.00 O ATOM 1115 CB GLU A 79 4.453 8.867 17.876 1.00 25.00 C ATOM 1116 CG GLU A 79 3.968 7.784 16.910 1.00 25.00 C ATOM 1117 CD GLU A 79 4.768 7.864 15.609 1.00 50.00 C ATOM 1118 OE1 GLU A 79 4.418 8.681 14.771 1.00 50.00 O ATOM 1119 OE2 GLU A 79 5.716 7.109 15.471 1.00 50.00 O ATOM 0 H GLU A 79 3.973 9.996 20.600 1.00 10.00 H new ATOM 0 HA GLU A 79 2.529 9.894 18.029 1.00 10.00 H new ATOM 0 HB2 GLU A 79 4.934 9.674 17.323 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.201 8.456 18.554 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.087 6.799 17.362 1.00 25.00 H new ATOM 0 HG3 GLU A 79 2.906 7.915 16.704 1.00 25.00 H new ATOM 1126 N ILE A 80 1.558 7.691 18.772 1.00 10.00 N ATOM 1127 CA ILE A 80 0.814 6.572 19.420 1.00 10.00 C ATOM 1128 C ILE A 80 0.970 5.292 18.592 1.00 10.00 C ATOM 1129 O ILE A 80 0.803 5.298 17.388 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.646 7.030 19.442 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.800 8.195 20.422 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.545 5.873 19.885 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -2.205 8.788 20.295 1.00 50.00 C ATOM 0 H ILE A 80 1.235 7.942 17.838 1.00 10.00 H new ATOM 0 HA ILE A 80 1.183 6.349 20.421 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.937 7.351 18.442 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.630 7.851 21.442 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -0.051 8.960 20.215 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.583 6.204 19.899 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.438 5.042 19.188 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.254 5.548 20.884 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.314 9.618 20.993 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.358 9.148 19.277 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.945 8.022 20.524 1.00 50.00 H new ATOM 1145 N ASP A 81 1.292 4.198 19.226 1.00 10.00 N ATOM 1146 CA ASP A 81 1.460 2.921 18.472 1.00 10.00 C ATOM 1147 C ASP A 81 0.099 2.275 18.209 1.00 10.00 C ATOM 1148 O ASP A 81 -0.803 2.349 19.020 1.00 10.00 O ATOM 1149 CB ASP A 81 2.310 2.033 19.382 1.00 10.00 C ATOM 1150 CG ASP A 81 2.465 0.652 18.745 1.00 10.00 C ATOM 1151 OD1 ASP A 81 1.612 -0.188 18.981 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.436 0.455 18.033 1.00 10.00 O ATOM 0 H ASP A 81 1.446 4.132 20.232 1.00 10.00 H new ATOM 0 HA ASP A 81 1.928 3.075 17.500 1.00 10.00 H new ATOM 0 HB2 ASP A 81 3.289 2.485 19.538 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.841 1.943 20.362 1.00 10.00 H new ATOM 1157 N MET A 82 -0.059 1.640 17.079 1.00 12.50 N ATOM 1158 CA MET A 82 -1.361 0.988 16.764 1.00 12.50 C ATOM 1159 C MET A 82 -1.174 -0.525 16.627 1.00 12.50 C ATOM 1160 O MET A 82 -0.128 -1.062 16.934 1.00 12.50 O ATOM 1161 CB MET A 82 -1.797 1.598 15.431 1.00 12.50 C ATOM 1162 CG MET A 82 -3.325 1.614 15.355 1.00 12.50 C ATOM 1163 SD MET A 82 -3.862 0.818 13.820 1.00 12.50 S ATOM 1164 CE MET A 82 -4.129 2.331 12.861 1.00 50.00 C ATOM 0 H MET A 82 0.658 1.545 16.360 1.00 12.50 H new ATOM 0 HA MET A 82 -2.103 1.147 17.546 1.00 12.50 H new ATOM 0 HB2 MET A 82 -1.407 2.611 15.337 1.00 12.50 H new ATOM 0 HB3 MET A 82 -1.387 1.020 14.603 1.00 12.50 H new ATOM 0 HG2 MET A 82 -3.748 1.093 16.214 1.00 12.50 H new ATOM 0 HG3 MET A 82 -3.691 2.640 15.392 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.138 2.091 11.798 1.00 50.00 H new ATOM 0 HE2 MET A 82 -5.084 2.775 13.141 1.00 50.00 H new ATOM 0 HE3 MET A 82 -3.326 3.039 13.067 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.182 -1.217 16.169 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.061 -2.695 16.014 1.00 50.00 C ATOM 1176 C ASP A 83 -1.555 -3.039 14.612 1.00 50.00 C ATOM 1177 O ASP A 83 -1.274 -2.169 13.812 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.478 -3.232 16.220 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.471 -4.272 17.343 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -2.933 -5.345 17.126 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -4.005 -3.977 18.399 1.00 50.00 O ATOM 0 H ASP A 83 -3.083 -0.824 15.896 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.354 -3.128 16.722 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.155 -2.415 16.470 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.846 -3.680 15.297 1.00 50.00 H new ATOM 1275 N SER A 89 -2.507 7.577 6.517 1.00 12.50 N ATOM 1276 CA SER A 89 -1.178 7.828 5.889 1.00 12.50 C ATOM 1277 C SER A 89 -0.356 8.779 6.764 1.00 12.50 C ATOM 1278 O SER A 89 -0.876 9.717 7.335 1.00 12.50 O ATOM 1279 CB SER A 89 -1.493 8.473 4.539 1.00 12.50 C ATOM 1280 OG SER A 89 -0.367 8.353 3.682 1.00 12.50 O ATOM 0 HA SER A 89 -0.593 6.915 5.775 1.00 12.50 H new ATOM 0 HB2 SER A 89 -2.360 7.991 4.087 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.748 9.524 4.677 1.00 12.50 H new ATOM 0 HG SER A 89 -0.570 8.765 2.816 1.00 12.50 H new ATOM 1286 N ASP A 90 0.921 8.541 6.879 1.00 10.00 N ATOM 1287 CA ASP A 90 1.775 9.428 7.720 1.00 10.00 C ATOM 1288 C ASP A 90 1.487 10.900 7.417 1.00 10.00 C ATOM 1289 O ASP A 90 1.552 11.747 8.285 1.00 10.00 O ATOM 1290 CB ASP A 90 3.211 9.074 7.333 1.00 10.00 C ATOM 1291 CG ASP A 90 4.129 9.259 8.544 1.00 10.00 C ATOM 1292 OD1 ASP A 90 3.709 9.910 9.487 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.236 8.748 8.506 1.00 10.00 O ATOM 0 H ASP A 90 1.411 7.770 6.426 1.00 10.00 H new ATOM 0 HA ASP A 90 1.588 9.286 8.784 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.260 8.044 6.981 1.00 10.00 H new ATOM 0 HB3 ASP A 90 3.544 9.708 6.511 1.00 10.00 H new ATOM 1298 N GLU A 91 1.168 11.210 6.192 1.00 12.50 N ATOM 1299 CA GLU A 91 0.881 12.629 5.834 1.00 12.50 C ATOM 1300 C GLU A 91 -0.272 13.164 6.682 1.00 12.50 C ATOM 1301 O GLU A 91 -0.294 14.318 7.063 1.00 12.50 O ATOM 1302 CB GLU A 91 0.489 12.593 4.357 1.00 12.50 C ATOM 1303 CG GLU A 91 -0.130 13.936 3.963 1.00 12.50 C ATOM 1304 CD GLU A 91 0.449 14.389 2.620 1.00 50.00 C ATOM 1305 OE1 GLU A 91 1.539 13.953 2.291 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.211 15.162 1.945 1.00 50.00 O ATOM 0 H GLU A 91 1.093 10.544 5.423 1.00 12.50 H new ATOM 0 HA GLU A 91 1.736 13.281 6.013 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.365 12.389 3.742 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.221 11.786 4.177 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -1.214 13.842 3.891 1.00 12.50 H new ATOM 0 HG3 GLU A 91 0.075 14.683 4.730 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.232 12.334 6.982 1.00 10.00 N ATOM 1314 CA GLU A 92 -2.384 12.796 7.807 1.00 10.00 C ATOM 1315 C GLU A 92 -1.932 13.048 9.248 1.00 10.00 C ATOM 1316 O GLU A 92 -2.432 13.924 9.923 1.00 10.00 O ATOM 1317 CB GLU A 92 -3.396 11.650 7.755 1.00 50.00 C ATOM 1318 CG GLU A 92 -4.813 12.222 7.685 1.00 50.00 C ATOM 1319 CD GLU A 92 -5.314 12.168 6.240 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -5.732 11.102 5.818 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.274 13.195 5.581 1.00 50.00 O ATOM 0 H GLU A 92 -1.269 11.357 6.692 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.808 13.730 7.438 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.204 11.020 6.886 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -3.291 11.018 8.637 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -5.479 11.653 8.334 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -4.820 13.251 8.045 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.988 12.283 9.725 1.00 10.00 N ATOM 1329 CA VAL A 93 -0.507 12.479 11.122 1.00 10.00 C ATOM 1330 C VAL A 93 0.478 13.650 11.185 1.00 10.00 C ATOM 1331 O VAL A 93 0.624 14.299 12.202 1.00 10.00 O ATOM 1332 CB VAL A 93 0.193 11.170 11.484 1.00 10.00 C ATOM 1333 CG1 VAL A 93 0.691 11.239 12.930 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.793 10.008 11.339 1.00 10.00 C ATOM 0 H VAL A 93 -0.530 11.532 9.209 1.00 10.00 H new ATOM 0 HA VAL A 93 -1.320 12.712 11.810 1.00 10.00 H new ATOM 0 HB VAL A 93 1.040 11.014 10.816 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.190 10.305 13.188 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.393 12.066 13.034 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -0.155 11.395 13.599 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -0.295 9.074 11.597 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.640 10.164 12.007 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -1.147 9.958 10.309 1.00 10.00 H new ATOM 1344 N GLU A 94 1.159 13.923 10.105 1.00 12.50 N ATOM 1345 CA GLU A 94 2.138 15.048 10.104 1.00 12.50 C ATOM 1346 C GLU A 94 1.468 16.338 9.619 1.00 12.50 C ATOM 1347 O GLU A 94 1.747 17.414 10.110 1.00 12.50 O ATOM 1348 CB GLU A 94 3.234 14.615 9.131 1.00 12.50 C ATOM 1349 CG GLU A 94 4.406 14.022 9.915 1.00 12.50 C ATOM 1350 CD GLU A 94 5.683 14.125 9.079 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.650 14.798 8.062 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.674 13.531 9.472 1.00 12.50 O ATOM 0 H GLU A 94 1.080 13.416 9.224 1.00 12.50 H new ATOM 0 HA GLU A 94 2.532 15.253 11.100 1.00 12.50 H new ATOM 0 HB2 GLU A 94 2.842 13.879 8.429 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.571 15.468 8.543 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.532 14.553 10.858 1.00 12.50 H new ATOM 0 HG3 GLU A 94 4.203 12.980 10.161 1.00 12.50 H new ATOM 1359 N GLU A 95 0.590 16.240 8.659 1.00 12.50 N ATOM 1360 CA GLU A 95 -0.091 17.463 8.146 1.00 12.50 C ATOM 1361 C GLU A 95 -1.413 17.685 8.887 1.00 12.50 C ATOM 1362 O GLU A 95 -1.715 18.779 9.322 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.348 17.183 6.665 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.132 18.466 5.859 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.340 18.710 4.953 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.453 18.533 5.420 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.131 19.069 3.805 1.00 50.00 O ATOM 0 H GLU A 95 0.315 15.368 8.208 1.00 12.50 H new ATOM 0 HA GLU A 95 0.510 18.361 8.293 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.323 16.400 6.310 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.366 16.819 6.524 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.007 19.312 6.532 1.00 25.00 H new ATOM 0 HG3 GLU A 95 0.775 18.383 5.259 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.204 16.657 9.035 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.504 16.813 9.748 1.00 25.00 C ATOM 1376 C LYS A 96 -3.328 16.525 11.242 1.00 25.00 C ATOM 1377 O LYS A 96 -4.189 16.823 12.046 1.00 25.00 O ATOM 1378 CB LYS A 96 -4.436 15.788 9.101 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.117 16.417 7.884 1.00 25.00 C ATOM 1380 CD LYS A 96 -6.526 16.875 8.267 1.00 25.00 C ATOM 1381 CE LYS A 96 -7.464 16.689 7.073 1.00 25.00 C ATOM 1382 NZ LYS A 96 -7.664 15.215 6.971 1.00 25.00 N ATOM 0 H LYS A 96 -2.006 15.717 8.693 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.901 17.825 9.670 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.871 14.906 8.800 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -5.185 15.457 9.820 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -4.533 17.264 7.525 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.167 15.695 7.069 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -6.887 16.301 9.120 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.510 17.922 8.571 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -8.410 17.207 7.229 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -7.027 17.093 6.160 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -7.242 14.868 6.086 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -7.208 14.746 7.779 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -8.682 15.002 6.976 1.00 25.00 H new ATOM 1396 N ASP A 97 -2.216 15.955 11.619 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.980 15.656 13.063 1.00 10.00 C ATOM 1398 C ASP A 97 -3.067 14.725 13.607 1.00 10.00 C ATOM 1399 O ASP A 97 -3.254 14.610 14.802 1.00 10.00 O ATOM 1400 CB ASP A 97 -2.047 17.014 13.760 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.630 17.496 14.077 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.255 16.659 14.158 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -0.453 18.693 14.233 1.00 50.00 O ATOM 0 H ASP A 97 -1.460 15.683 10.991 1.00 10.00 H new ATOM 0 HA ASP A 97 -1.027 15.153 13.226 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.554 17.737 13.122 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -2.629 16.935 14.678 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.783 14.057 12.746 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.854 13.137 13.230 1.00 10.00 C ATOM 1410 C VAL A 98 -4.232 11.832 13.733 1.00 10.00 C ATOM 1411 O VAL A 98 -3.155 11.452 13.323 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.741 12.886 12.008 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.799 11.832 12.346 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.433 14.190 11.605 1.00 50.00 C ATOM 0 H VAL A 98 -3.675 14.107 11.733 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.423 13.555 14.060 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.125 12.528 11.183 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.429 11.656 11.474 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.308 10.902 12.633 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -7.415 12.187 13.172 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -7.065 14.013 10.735 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -7.046 14.547 12.432 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -5.681 14.940 11.360 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.895 11.145 14.626 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.320 9.873 15.151 1.00 10.00 C ATOM 1426 C ARG A 99 -5.423 8.957 15.691 1.00 10.00 C ATOM 1427 O ARG A 99 -6.526 9.388 15.963 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.388 10.307 16.282 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.491 9.136 16.687 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.516 8.825 15.550 1.00 50.00 C ATOM 1431 NE ARG A 99 -1.474 7.339 15.478 1.00 50.00 N ATOM 1432 CZ ARG A 99 -0.669 6.750 14.638 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -0.497 7.245 13.444 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -0.035 5.666 14.994 1.00 50.00 N ATOM 0 H ARG A 99 -5.802 11.407 15.011 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.801 9.309 14.376 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.778 11.151 15.960 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.972 10.644 17.139 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.941 9.382 17.595 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -3.098 8.259 16.910 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.856 9.257 14.609 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.528 9.239 15.752 1.00 50.00 H new ATOM 0 HE ARG A 99 -2.075 6.782 16.085 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -0.992 8.093 13.167 1.00 50.00 H new ATOM 0 HH12 ARG A 99 0.133 6.784 12.787 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -0.169 5.280 15.929 1.00 50.00 H new ATOM 0 HH22 ARG A 99 0.595 5.205 14.338 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.126 7.695 15.852 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.146 6.745 16.380 1.00 10.00 C ATOM 1450 C LEU A 100 -6.198 6.826 17.907 1.00 10.00 C ATOM 1451 O LEU A 100 -5.192 6.711 18.579 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.665 5.362 15.937 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.781 4.651 15.169 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -7.982 4.439 16.094 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.205 5.506 13.974 1.00 10.00 C ATOM 0 H LEU A 100 -4.218 7.281 15.640 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.148 6.967 16.012 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.781 5.458 15.307 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.375 4.771 16.806 1.00 10.00 H new ATOM 0 HG LEU A 100 -6.419 3.686 14.815 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -8.777 3.932 15.547 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -7.682 3.829 16.946 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -8.343 5.404 16.448 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -8.000 4.999 13.427 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -7.567 6.472 14.328 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -6.351 5.658 13.314 1.00 10.00 H new ATOM 1467 N THR A 101 -7.361 7.025 18.464 1.00 10.00 N ATOM 1468 CA THR A 101 -7.468 7.114 19.948 1.00 10.00 C ATOM 1469 C THR A 101 -8.463 6.075 20.473 1.00 10.00 C ATOM 1470 O THR A 101 -8.460 5.734 21.640 1.00 10.00 O ATOM 1471 CB THR A 101 -7.973 8.531 20.225 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.919 8.898 19.230 1.00 10.00 O ATOM 1473 CG2 THR A 101 -6.796 9.507 20.199 1.00 10.00 C ATOM 0 H THR A 101 -8.240 7.130 17.957 1.00 10.00 H new ATOM 0 HA THR A 101 -6.517 6.917 20.442 1.00 10.00 H new ATOM 0 HB THR A 101 -8.447 8.564 21.206 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.840 9.856 19.041 1.00 10.00 H new ATOM 0 HG21 THR A 101 -7.156 10.517 20.396 1.00 10.00 H new ATOM 0 HG22 THR A 101 -6.072 9.224 20.963 1.00 10.00 H new ATOM 0 HG23 THR A 101 -6.320 9.477 19.219 1.00 10.00 H new ATOM 1481 N CYS A 102 -9.312 5.568 19.623 1.00 10.00 N ATOM 1482 CA CYS A 102 -10.303 4.551 20.079 1.00 10.00 C ATOM 1483 C CYS A 102 -9.588 3.252 20.458 1.00 10.00 C ATOM 1484 O CYS A 102 -9.894 2.633 21.457 1.00 10.00 O ATOM 1485 CB CYS A 102 -11.222 4.326 18.879 1.00 10.00 C ATOM 1486 SG CYS A 102 -12.045 5.878 18.449 1.00 10.00 S ATOM 0 H CYS A 102 -9.363 5.813 18.634 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.856 4.879 20.959 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.645 3.961 18.029 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.963 3.562 19.113 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.825 5.687 17.427 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.638 2.836 19.668 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.904 1.578 19.984 1.00 10.00 C ATOM 1493 C ILE A 103 -6.400 1.774 19.777 1.00 10.00 C ATOM 1494 O ILE A 103 -5.692 0.866 19.389 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.450 0.541 19.002 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -8.373 1.096 17.577 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -9.907 0.229 19.348 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -8.990 0.087 16.607 1.00 50.00 C ATOM 0 H ILE A 103 -8.338 3.312 18.817 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.043 1.270 21.020 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.856 -0.371 19.070 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -8.902 2.047 17.516 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -7.335 1.291 17.306 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -10.297 -0.510 18.648 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -9.964 -0.166 20.362 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -10.500 1.141 19.280 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -8.937 0.479 15.591 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -8.441 -0.853 16.662 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -10.032 -0.085 16.875 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.905 2.954 20.034 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.448 3.205 19.853 1.00 10.00 C ATOM 1512 C GLY A 104 -3.792 3.399 21.221 1.00 10.00 C ATOM 1513 O GLY A 104 -4.462 3.506 22.231 1.00 10.00 O ATOM 0 H GLY A 104 -6.446 3.754 20.361 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.986 2.367 19.331 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.294 4.090 19.235 1.00 10.00 H new ATOM 1517 N SER A 105 -2.490 3.444 21.266 1.00 10.00 N ATOM 1518 CA SER A 105 -1.796 3.630 22.572 1.00 10.00 C ATOM 1519 C SER A 105 -0.579 4.546 22.397 1.00 10.00 C ATOM 1520 O SER A 105 0.107 4.481 21.397 1.00 10.00 O ATOM 1521 CB SER A 105 -1.356 2.227 22.988 1.00 10.00 C ATOM 1522 OG SER A 105 -2.339 1.655 23.836 1.00 10.00 O ATOM 0 H SER A 105 -1.876 3.360 20.456 1.00 10.00 H new ATOM 0 HA SER A 105 -2.438 4.094 23.320 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.213 1.603 22.106 1.00 10.00 H new ATOM 0 HB3 SER A 105 -0.397 2.273 23.504 1.00 10.00 H new ATOM 0 HG SER A 105 -2.727 2.353 24.404 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.355 5.373 23.381 1.00 10.00 N ATOM 1529 CA PRO A 106 0.790 6.314 23.339 1.00 10.00 C ATOM 1530 C PRO A 106 2.107 5.563 23.554 1.00 10.00 C ATOM 1531 O PRO A 106 2.229 4.746 24.445 1.00 10.00 O ATOM 1532 CB PRO A 106 0.512 7.268 24.497 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.347 6.487 25.442 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.139 5.507 24.615 1.00 10.00 C ATOM 0 HA PRO A 106 0.887 6.829 22.383 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.437 7.588 24.976 1.00 10.00 H new ATOM 0 HB3 PRO A 106 0.003 8.169 24.153 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.265 5.964 26.177 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -1.012 7.150 25.995 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.248 4.550 25.125 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.144 5.876 24.412 1.00 10.00 H new ATOM 1542 N ALA A 107 3.095 5.834 22.745 1.00 10.00 N ATOM 1543 CA ALA A 107 4.403 5.134 22.906 1.00 10.00 C ATOM 1544 C ALA A 107 5.451 6.097 23.469 1.00 10.00 C ATOM 1545 O ALA A 107 6.289 5.722 24.264 1.00 10.00 O ATOM 1546 CB ALA A 107 4.788 4.685 21.497 1.00 50.00 C ATOM 0 H ALA A 107 3.054 6.508 21.981 1.00 10.00 H new ATOM 0 HA ALA A 107 4.340 4.294 23.598 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.743 4.160 21.531 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.020 4.017 21.105 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.876 5.557 20.849 1.00 50.00 H new ATOM 1552 N ALA A 108 5.408 7.334 23.062 1.00 10.00 N ATOM 1553 CA ALA A 108 6.401 8.323 23.572 1.00 10.00 C ATOM 1554 C ALA A 108 6.017 8.776 24.983 1.00 10.00 C ATOM 1555 O ALA A 108 4.854 8.925 25.304 1.00 10.00 O ATOM 1556 CB ALA A 108 6.330 9.496 22.593 1.00 50.00 C ATOM 0 H ALA A 108 4.728 7.705 22.398 1.00 10.00 H new ATOM 0 HA ALA A 108 7.406 7.906 23.635 1.00 10.00 H new ATOM 0 HB1 ALA A 108 7.034 10.269 22.900 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.585 9.150 21.591 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.320 9.906 22.589 1.00 50.00 H new ATOM 1562 N ASP A 109 6.986 8.995 25.829 1.00 50.00 N ATOM 1563 CA ASP A 109 6.678 9.437 27.219 1.00 50.00 C ATOM 1564 C ASP A 109 5.697 10.613 27.199 1.00 50.00 C ATOM 1565 O ASP A 109 4.656 10.575 27.824 1.00 50.00 O ATOM 1566 CB ASP A 109 8.023 9.868 27.805 1.00 50.00 C ATOM 1567 CG ASP A 109 8.241 9.173 29.149 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.823 9.725 30.154 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.820 8.099 29.152 1.00 50.00 O ATOM 0 H ASP A 109 7.978 8.887 25.618 1.00 50.00 H new ATOM 0 HA ASP A 109 6.211 8.648 27.808 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.829 9.614 27.117 1.00 50.00 H new ATOM 0 HB3 ASP A 109 8.045 10.950 27.935 1.00 50.00 H new ATOM 1574 N GLU A 110 6.021 11.657 26.486 1.00 10.00 N ATOM 1575 CA GLU A 110 5.105 12.833 26.430 1.00 10.00 C ATOM 1576 C GLU A 110 4.406 12.896 25.069 1.00 10.00 C ATOM 1577 O GLU A 110 5.041 13.010 24.039 1.00 10.00 O ATOM 1578 CB GLU A 110 6.009 14.049 26.630 1.00 10.00 C ATOM 1579 CG GLU A 110 5.622 14.763 27.928 1.00 10.00 C ATOM 1580 CD GLU A 110 4.401 15.649 27.680 1.00 50.00 C ATOM 1581 OE1 GLU A 110 3.842 15.564 26.599 1.00 50.00 O ATOM 1582 OE2 GLU A 110 4.045 16.397 28.575 1.00 50.00 O ATOM 0 H GLU A 110 6.878 11.747 25.941 1.00 10.00 H new ATOM 0 HA GLU A 110 4.320 12.782 27.185 1.00 10.00 H new ATOM 0 HB2 GLU A 110 7.053 13.737 26.671 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.913 14.730 25.785 1.00 10.00 H new ATOM 0 HG2 GLU A 110 5.402 14.032 28.706 1.00 10.00 H new ATOM 0 HG3 GLU A 110 6.456 15.367 28.286 1.00 10.00 H new ATOM 1589 N VAL A 111 3.103 12.825 25.059 1.00 10.00 N ATOM 1590 CA VAL A 111 2.363 12.881 23.766 1.00 10.00 C ATOM 1591 C VAL A 111 1.287 13.970 23.824 1.00 10.00 C ATOM 1592 O VAL A 111 0.349 13.886 24.592 1.00 10.00 O ATOM 1593 CB VAL A 111 1.719 11.501 23.614 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.274 11.302 22.165 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.734 10.418 23.989 1.00 12.50 C ATOM 0 H VAL A 111 2.519 12.731 25.890 1.00 10.00 H new ATOM 0 HA VAL A 111 3.016 13.119 22.926 1.00 10.00 H new ATOM 0 HB VAL A 111 0.854 11.431 24.273 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.815 10.319 22.057 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.550 12.072 21.898 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.139 11.373 21.506 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.275 9.436 23.881 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.600 10.488 23.331 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.051 10.558 25.023 1.00 12.50 H new ATOM 1605 N LYS A 112 1.416 14.991 23.022 1.00 10.00 N ATOM 1606 CA LYS A 112 0.400 16.082 23.037 1.00 10.00 C ATOM 1607 C LYS A 112 -0.560 15.930 21.855 1.00 10.00 C ATOM 1608 O LYS A 112 -0.167 15.556 20.767 1.00 10.00 O ATOM 1609 CB LYS A 112 1.204 17.377 22.914 1.00 25.00 C ATOM 1610 CG LYS A 112 2.212 17.460 24.062 1.00 25.00 C ATOM 1611 CD LYS A 112 1.902 18.682 24.928 1.00 25.00 C ATOM 1612 CE LYS A 112 3.114 19.008 25.803 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.236 19.203 24.843 1.00 25.00 N ATOM 0 H LYS A 112 2.180 15.117 22.358 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.208 16.066 23.942 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.724 17.406 21.956 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.535 18.237 22.940 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.167 16.553 24.665 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.225 17.530 23.666 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.656 19.536 24.296 1.00 25.00 H new ATOM 0 HD3 LYS A 112 1.031 18.486 25.553 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.942 19.905 26.398 1.00 25.00 H new ATOM 0 HE3 LYS A 112 3.327 18.198 26.501 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 4.908 19.896 25.230 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 4.723 18.297 24.690 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.862 19.552 23.938 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.814 16.220 22.059 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.807 16.098 20.953 1.00 10.00 C ATOM 1629 C ILE A 113 -4.053 16.931 21.269 1.00 10.00 C ATOM 1630 O ILE A 113 -4.380 17.165 22.415 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.159 14.612 20.897 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.275 14.391 19.875 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.632 14.149 22.277 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.882 13.262 18.922 1.00 10.00 C ATOM 0 H ILE A 113 -2.197 16.538 22.949 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.413 16.459 20.003 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.279 14.040 20.603 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.205 14.142 20.386 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.455 15.308 19.314 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.884 13.089 22.239 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.837 14.307 23.006 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.513 14.720 22.570 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.679 13.106 18.195 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.962 13.529 18.401 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.725 12.345 19.490 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.757 17.372 20.262 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.985 18.178 20.508 1.00 10.00 C ATOM 1648 C VAL A 114 -7.221 17.310 20.241 1.00 10.00 C ATOM 1649 O VAL A 114 -7.166 16.351 19.497 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.877 19.369 19.532 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.150 19.514 18.686 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -5.662 20.655 20.333 1.00 50.00 C ATOM 0 H VAL A 114 -4.534 17.209 19.280 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.079 18.533 21.534 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.036 19.188 18.862 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.042 20.361 18.009 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.307 18.604 18.107 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -8.005 19.679 19.341 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -5.585 21.501 19.650 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -6.505 20.809 21.007 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.743 20.573 20.914 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.334 17.632 20.842 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.557 16.811 20.612 1.00 10.00 C ATOM 1664 C TYR A 115 -10.654 17.664 19.957 1.00 10.00 C ATOM 1665 O TYR A 115 -10.458 18.832 19.674 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.952 16.288 22.011 1.00 50.00 C ATOM 1667 CG TYR A 115 -11.200 16.968 22.531 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -11.100 18.187 23.210 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.453 16.374 22.339 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -12.252 18.815 23.694 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.607 17.002 22.824 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.506 18.224 23.500 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.642 18.844 23.979 1.00 50.00 O ATOM 0 H TYR A 115 -8.450 18.421 21.477 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.395 15.980 19.926 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -10.117 15.212 21.964 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -9.130 16.454 22.707 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -10.133 18.643 23.360 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.530 15.432 21.817 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -12.174 19.756 24.218 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.574 16.544 22.677 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.388 19.626 24.513 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.797 17.079 19.700 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.909 17.836 19.047 1.00 10.00 C ATOM 1685 C ASN A 116 -12.563 18.119 17.583 1.00 10.00 C ATOM 1686 O ASN A 116 -13.061 19.055 16.989 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.045 19.146 19.832 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.409 19.187 20.523 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.226 18.308 20.332 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -14.692 20.179 21.322 1.00 10.00 N ATOM 0 H ASN A 116 -12.009 16.105 19.915 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.842 17.272 19.055 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.248 19.224 20.572 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.940 19.998 19.160 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -15.599 20.217 21.787 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.006 20.917 21.482 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.714 17.316 16.995 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.333 17.535 15.566 1.00 10.00 C ATOM 1699 C ALA A 117 -12.552 17.945 14.734 1.00 10.00 C ATOM 1700 O ALA A 117 -12.430 18.608 13.724 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.793 16.187 15.091 1.00 50.00 C ATOM 0 H ALA A 117 -11.267 16.516 17.443 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.600 18.335 15.459 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.490 16.264 14.047 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.933 15.905 15.698 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.570 15.429 15.189 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.726 17.552 15.146 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.947 17.918 14.374 1.00 12.50 C ATOM 1709 C LYS A 118 -14.881 19.382 13.928 1.00 12.50 C ATOM 1710 O LYS A 118 -15.487 19.769 12.949 1.00 12.50 O ATOM 1711 CB LYS A 118 -16.112 17.698 15.341 1.00 12.50 C ATOM 1712 CG LYS A 118 -16.090 18.775 16.427 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.347 18.651 17.293 1.00 12.50 C ATOM 1714 CE LYS A 118 -17.612 19.982 18.001 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.983 19.850 18.570 1.00 50.00 N ATOM 0 H LYS A 118 -13.892 16.994 15.983 1.00 12.50 H new ATOM 0 HA LYS A 118 -15.053 17.321 13.468 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -17.058 17.732 14.800 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -16.040 16.709 15.794 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.198 18.667 17.044 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -16.045 19.765 15.972 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -18.202 18.379 16.674 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.219 17.856 18.027 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -16.876 20.166 18.784 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -17.553 20.818 17.304 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.236 20.725 19.072 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.663 19.682 17.801 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.008 19.050 19.235 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.147 20.201 14.633 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.045 21.633 14.241 1.00 50.00 C ATOM 1728 C HIS A 119 -13.371 21.756 12.873 1.00 50.00 C ATOM 1729 O HIS A 119 -13.554 22.725 12.164 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.177 22.271 15.321 1.00 50.00 C ATOM 1731 CG HIS A 119 -11.861 21.546 15.397 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -10.953 21.548 14.350 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -11.279 20.802 16.396 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -9.885 20.828 14.738 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -10.032 20.350 15.976 1.00 50.00 N ATOM 0 H HIS A 119 -13.615 19.939 15.463 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.020 22.113 14.161 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.012 23.324 15.095 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.685 22.227 16.284 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -11.722 20.599 17.360 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -9.014 20.657 14.123 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -9.372 19.777 16.501 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.586 20.781 12.499 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.895 20.843 11.180 1.00 12.50 C ATOM 1745 C LEU A 120 -12.920 20.925 10.044 1.00 12.50 C ATOM 1746 O LEU A 120 -13.764 20.064 9.894 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.096 19.544 11.090 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.642 19.862 10.737 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.760 18.659 11.077 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.536 20.164 9.242 1.00 12.50 C ATOM 0 H LEU A 120 -12.394 19.945 13.050 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.256 21.722 11.091 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.142 19.010 12.039 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.530 18.889 10.334 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.310 20.729 11.308 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.724 18.885 10.826 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -8.836 18.442 12.142 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.091 17.792 10.505 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.500 20.391 8.989 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.867 19.297 8.671 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -10.165 21.020 8.998 1.00 12.50 H new