USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 866 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 84 GLN :FLIP amide:sc= -0.0138 F(o=-11!,f=-1.7) USER MOD Set 1.2: A 86 TYR OH : rot 31:sc= -1.66! USER MOD Set 2.1: A 36 GLN : amide:sc= -10.3! C(o=-11!,f=-13!) USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 2 GLN : amide:sc= 0.754 K(o=0.75,f=-5.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.74! C(o=-2.4!,f=-1.7!) USER MOD Single : A 11 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 78:sc= 0.0856 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.474 F(o=-2!,f=-0.47) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= -0.0662 (180deg=-0.605) USER MOD Single : A 44 ASN :FLIP amide:sc= -3.4! C(o=-7.5!,f=-3.4!) USER MOD Single : A 45 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.9!) USER MOD Single : A 46 ASN : amide:sc= -0.562 K(o=-0.56,f=-2) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.86! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.000317 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00222) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -29:sc= 0.569 USER MOD Single : A 71 ASN : amide:sc= 0.18 X(o=0.18,f=-0.0032) USER MOD Single : A 74 HIS : no HE2:sc= -8.65! C(o=-8.7!,f=-12!) USER MOD Single : A 75 TYR OH : rot 13:sc= -4.98! USER MOD Single : A 76 MET CE :methyl -168:sc= -6.49! (180deg=-6.89!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0813 F(o=-1.3!,f=-0.081) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= -0.0465 (180deg=-0.359) USER MOD Single : A 90 TYR OH : rot 87:sc= -1.91! USER MOD Single : A 93 ASN :FLIP amide:sc= -1.17! C(o=-3.2!,f=-1.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= 1.25 (180deg=0.965) USER MOD Single : A 101 SER OG : rot 48:sc= 0.0831 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.791 F(o=-2.9!,f=-0.79) USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 109 LYS NZ :NH3+ 154:sc= -1.7! (180deg=-3.11!) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N GLN A 2 -2.110 11.692 8.854 1.00 0.00 N ATOM 15 CA GLN A 2 -2.037 10.218 9.066 1.00 0.00 C ATOM 16 C GLN A 2 -3.421 9.574 8.934 1.00 0.00 C ATOM 17 O GLN A 2 -4.420 10.259 8.877 1.00 0.00 O ATOM 18 CB GLN A 2 -1.516 10.063 10.460 1.00 0.00 C ATOM 19 CG GLN A 2 -0.300 9.227 10.420 1.00 0.00 C ATOM 20 CD GLN A 2 -0.654 7.758 10.675 1.00 0.00 C ATOM 21 OE1 GLN A 2 -1.307 7.134 9.863 1.00 0.00 O ATOM 22 NE2 GLN A 2 -0.251 7.171 11.776 1.00 0.00 N ATOM 0 HA GLN A 2 -1.402 9.730 8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.290 11.039 10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.271 9.602 11.097 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.186 9.327 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.411 9.572 11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.298 7.692 12.460 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.486 6.194 11.948 1.00 0.00 H new ATOM 31 N VAL A 3 -3.498 8.265 8.885 1.00 0.00 N ATOM 32 CA VAL A 3 -4.808 7.605 8.761 1.00 0.00 C ATOM 33 C VAL A 3 -4.754 6.293 9.548 1.00 0.00 C ATOM 34 O VAL A 3 -3.716 5.923 10.060 1.00 0.00 O ATOM 35 CB VAL A 3 -4.952 7.306 7.264 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.352 8.442 6.425 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.288 5.961 6.896 1.00 0.00 C ATOM 0 H VAL A 3 -2.698 7.634 8.927 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.636 8.206 9.137 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.016 7.231 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.464 8.210 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.871 9.374 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.294 8.550 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.407 5.777 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.227 6.000 7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.761 5.156 7.458 1.00 0.00 H new ATOM 47 N ASP A 4 -5.825 5.558 9.619 1.00 0.00 N ATOM 48 CA ASP A 4 -5.736 4.274 10.333 1.00 0.00 C ATOM 49 C ASP A 4 -5.125 3.272 9.437 1.00 0.00 C ATOM 50 O ASP A 4 -5.261 3.302 8.231 1.00 0.00 O ATOM 51 CB ASP A 4 -7.133 3.901 10.867 1.00 0.00 C ATOM 52 CG ASP A 4 -7.339 2.383 10.799 1.00 0.00 C ATOM 53 OD1 ASP A 4 -6.433 1.665 11.188 1.00 0.00 O ATOM 54 OD2 ASP A 4 -8.397 1.968 10.356 1.00 0.00 O ATOM 0 H ASP A 4 -6.735 5.789 9.221 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.087 4.331 11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.240 4.244 11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.901 4.406 10.281 1.00 0.00 H new ATOM 59 N VAL A 5 -4.279 2.491 10.021 1.00 0.00 N ATOM 60 CA VAL A 5 -3.468 1.621 9.202 1.00 0.00 C ATOM 61 C VAL A 5 -2.747 0.587 10.084 1.00 0.00 C ATOM 62 O VAL A 5 -2.620 0.778 11.278 1.00 0.00 O ATOM 63 CB VAL A 5 -2.576 2.707 8.650 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.176 2.651 9.270 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.493 2.581 7.128 1.00 0.00 C ATOM 0 H VAL A 5 -4.125 2.428 11.027 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.949 0.993 8.453 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.011 3.672 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.560 3.446 8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.251 2.781 10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.720 1.685 9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.849 3.366 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.081 1.607 6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.490 2.680 6.700 1.00 0.00 H new ATOM 75 N LYS A 6 -2.282 -0.501 9.534 1.00 0.00 N ATOM 76 CA LYS A 6 -1.595 -1.512 10.397 1.00 0.00 C ATOM 77 C LYS A 6 -0.454 -2.192 9.710 1.00 0.00 C ATOM 78 O LYS A 6 -0.486 -2.561 8.562 1.00 0.00 O ATOM 79 CB LYS A 6 -2.640 -2.535 10.757 1.00 0.00 C ATOM 80 CG LYS A 6 -3.901 -1.841 11.277 1.00 0.00 C ATOM 81 CD LYS A 6 -4.675 -2.799 12.184 1.00 0.00 C ATOM 82 CE LYS A 6 -3.847 -3.101 13.436 1.00 0.00 C ATOM 83 NZ LYS A 6 -4.735 -2.746 14.579 1.00 0.00 N ATOM 0 H LYS A 6 -2.344 -0.734 8.543 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.169 -1.012 11.267 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.883 -3.140 9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.250 -3.213 11.516 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.632 -0.940 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.528 -1.529 10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.631 -2.357 12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.896 -3.723 11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.556 -4.151 13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.928 -2.515 13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.237 -2.926 15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.990 -1.739 14.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.598 -3.325 14.541 1.00 0.00 H new ATOM 97 N ASP A 7 0.544 -2.371 10.470 1.00 0.00 N ATOM 98 CA ASP A 7 1.767 -3.051 9.996 1.00 0.00 C ATOM 99 C ASP A 7 1.526 -4.565 9.927 1.00 0.00 C ATOM 100 O ASP A 7 0.781 -5.119 10.712 1.00 0.00 O ATOM 101 CB ASP A 7 2.748 -2.697 11.081 1.00 0.00 C ATOM 102 CG ASP A 7 3.970 -3.615 11.012 1.00 0.00 C ATOM 103 OD1 ASP A 7 4.420 -3.890 9.912 1.00 0.00 O ATOM 104 OD2 ASP A 7 4.435 -4.030 12.062 1.00 0.00 O ATOM 0 H ASP A 7 0.581 -2.068 11.443 1.00 0.00 H new ATOM 0 HA ASP A 7 2.100 -2.760 9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.059 -1.658 10.975 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.270 -2.789 12.057 1.00 0.00 H new ATOM 109 N CYS A 8 2.150 -5.241 9.003 1.00 0.00 N ATOM 110 CA CYS A 8 1.959 -6.713 8.892 1.00 0.00 C ATOM 111 C CYS A 8 3.306 -7.374 8.650 1.00 0.00 C ATOM 112 O CYS A 8 3.389 -8.496 8.192 1.00 0.00 O ATOM 113 CB CYS A 8 1.045 -6.914 7.689 1.00 0.00 C ATOM 114 SG CYS A 8 1.619 -5.947 6.249 1.00 0.00 S ATOM 0 H CYS A 8 2.787 -4.835 8.317 1.00 0.00 H new ATOM 0 HA CYS A 8 1.531 -7.149 9.794 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.011 -7.972 7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.029 -6.616 7.948 1.00 0.00 H new ATOM 119 N ALA A 9 4.372 -6.653 8.901 1.00 0.00 N ATOM 120 CA ALA A 9 5.722 -7.229 8.615 1.00 0.00 C ATOM 121 C ALA A 9 6.580 -7.178 9.857 1.00 0.00 C ATOM 122 O ALA A 9 6.665 -8.134 10.601 1.00 0.00 O ATOM 123 CB ALA A 9 6.295 -6.358 7.479 1.00 0.00 C ATOM 0 H ALA A 9 4.367 -5.708 9.284 1.00 0.00 H new ATOM 0 HA ALA A 9 5.683 -8.278 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.288 -6.718 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.640 -6.417 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.362 -5.323 7.813 1.00 0.00 H new ATOM 129 N ASN A 10 7.174 -6.089 10.116 1.00 0.00 N ATOM 130 CA ASN A 10 7.983 -6.005 11.363 1.00 0.00 C ATOM 131 C ASN A 10 8.133 -4.569 11.844 1.00 0.00 C ATOM 132 O ASN A 10 9.215 -4.025 11.914 1.00 0.00 O ATOM 133 CB ASN A 10 9.308 -6.702 11.094 1.00 0.00 C ATOM 134 CG ASN A 10 10.398 -6.230 12.074 1.00 0.00 C ATOM 135 OD1 ASN A 10 11.257 -5.282 11.738 1.00 0.00 O flip ATOM 136 ND2 ASN A 10 10.477 -6.734 13.177 1.00 0.00 N flip ATOM 0 H ASN A 10 7.151 -5.247 9.540 1.00 0.00 H new ATOM 0 HA ASN A 10 7.480 -6.511 12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.178 -7.781 11.183 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.625 -6.502 10.070 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.822 -7.466 13.451 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.198 -6.425 13.829 1.00 0.00 H new ATOM 143 N HIS A 11 7.022 -3.969 12.193 1.00 0.00 N ATOM 144 CA HIS A 11 7.022 -2.566 12.695 1.00 0.00 C ATOM 145 C HIS A 11 8.135 -1.765 12.041 1.00 0.00 C ATOM 146 O HIS A 11 8.720 -0.879 12.632 1.00 0.00 O ATOM 147 CB HIS A 11 7.231 -2.681 14.187 1.00 0.00 C ATOM 148 CG HIS A 11 6.252 -3.672 14.757 1.00 0.00 C ATOM 149 ND1 HIS A 11 4.883 -3.527 14.597 1.00 0.00 N ATOM 150 CD2 HIS A 11 6.424 -4.820 15.492 1.00 0.00 C ATOM 151 CE1 HIS A 11 4.289 -4.560 15.221 1.00 0.00 C ATOM 152 NE2 HIS A 11 5.184 -5.379 15.784 1.00 0.00 N ATOM 0 H HIS A 11 6.100 -4.403 12.149 1.00 0.00 H new ATOM 0 HA HIS A 11 6.094 -2.044 12.461 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.252 -3.000 14.398 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.097 -1.708 14.660 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.377 -5.227 15.797 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.220 -4.710 15.262 1.00 0.00 H new ATOM 0 HE2 HIS A 11 4.997 -6.231 16.314 1.00 0.00 H new ATOM 160 N GLU A 12 8.430 -2.079 10.818 1.00 0.00 N ATOM 161 CA GLU A 12 9.507 -1.347 10.111 1.00 0.00 C ATOM 162 C GLU A 12 8.950 -0.202 9.272 1.00 0.00 C ATOM 163 O GLU A 12 9.561 0.244 8.322 1.00 0.00 O ATOM 164 CB GLU A 12 10.207 -2.340 9.271 1.00 0.00 C ATOM 165 CG GLU A 12 11.700 -2.165 9.497 1.00 0.00 C ATOM 166 CD GLU A 12 12.246 -1.133 8.509 1.00 0.00 C ATOM 167 OE1 GLU A 12 12.209 -1.401 7.320 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.689 -0.090 8.961 1.00 0.00 O ATOM 0 H GLU A 12 7.972 -2.812 10.276 1.00 0.00 H new ATOM 0 HA GLU A 12 10.192 -0.886 10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.896 -3.351 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.960 -2.194 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.888 -1.840 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.213 -3.118 9.365 1.00 0.00 H new ATOM 175 N ILE A 13 7.780 0.267 9.609 1.00 0.00 N ATOM 176 CA ILE A 13 7.156 1.366 8.836 1.00 0.00 C ATOM 177 C ILE A 13 6.951 2.583 9.732 1.00 0.00 C ATOM 178 O ILE A 13 7.428 2.643 10.847 1.00 0.00 O ATOM 179 CB ILE A 13 5.846 0.709 8.369 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.907 0.479 6.860 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.599 1.555 8.704 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.655 -0.274 6.408 1.00 0.00 C ATOM 0 H ILE A 13 7.227 -0.071 10.397 1.00 0.00 H new ATOM 0 HA ILE A 13 7.742 1.751 8.001 1.00 0.00 H new ATOM 0 HB ILE A 13 5.750 -0.236 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.978 1.433 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.800 -0.092 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.705 1.041 8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.534 1.696 9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.676 2.526 8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.698 -0.438 5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.604 -1.235 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.770 0.314 6.650 1.00 0.00 H new ATOM 194 N LYS A 14 6.244 3.545 9.244 1.00 0.00 N ATOM 195 CA LYS A 14 5.992 4.770 10.048 1.00 0.00 C ATOM 196 C LYS A 14 4.801 5.569 9.498 1.00 0.00 C ATOM 197 O LYS A 14 3.993 6.041 10.273 1.00 0.00 O ATOM 198 CB LYS A 14 7.287 5.588 10.039 1.00 0.00 C ATOM 199 CG LYS A 14 7.610 6.094 8.636 1.00 0.00 C ATOM 200 CD LYS A 14 7.813 7.609 8.680 1.00 0.00 C ATOM 201 CE LYS A 14 9.249 7.943 8.275 1.00 0.00 C ATOM 202 NZ LYS A 14 9.685 9.005 9.227 1.00 0.00 N ATOM 0 H LYS A 14 5.823 3.543 8.315 1.00 0.00 H new ATOM 0 HA LYS A 14 5.721 4.510 11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.191 6.433 10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.110 4.975 10.406 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.509 5.606 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.800 5.844 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.110 8.100 8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.610 7.985 9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.892 7.065 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.296 8.294 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.663 9.285 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.060 9.831 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.637 8.640 10.200 1.00 0.00 H new ATOM 216 N LYS A 15 4.622 5.739 8.191 1.00 0.00 N ATOM 217 CA LYS A 15 3.409 6.518 7.794 1.00 0.00 C ATOM 218 C LYS A 15 2.822 6.071 6.482 1.00 0.00 C ATOM 219 O LYS A 15 3.498 5.796 5.528 1.00 0.00 O ATOM 220 CB LYS A 15 3.808 7.989 7.777 1.00 0.00 C ATOM 221 CG LYS A 15 2.570 8.828 7.512 1.00 0.00 C ATOM 222 CD LYS A 15 2.699 10.147 8.272 1.00 0.00 C ATOM 223 CE LYS A 15 1.564 11.091 7.866 1.00 0.00 C ATOM 224 NZ LYS A 15 2.204 12.104 6.979 1.00 0.00 N ATOM 0 H LYS A 15 5.221 5.396 7.440 1.00 0.00 H new ATOM 0 HA LYS A 15 2.610 6.346 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.257 8.269 8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.558 8.168 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.463 9.017 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.676 8.293 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.665 9.964 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.663 10.609 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.772 10.554 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.110 11.561 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.488 12.787 6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.950 12.604 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.621 11.628 6.154 1.00 0.00 H new ATOM 238 N VAL A 16 1.540 5.998 6.447 1.00 0.00 N ATOM 239 CA VAL A 16 0.855 5.566 5.185 1.00 0.00 C ATOM 240 C VAL A 16 -0.317 6.477 4.883 1.00 0.00 C ATOM 241 O VAL A 16 -1.374 6.410 5.476 1.00 0.00 O ATOM 242 CB VAL A 16 0.384 4.113 5.370 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.959 3.257 4.240 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.855 3.551 6.716 1.00 0.00 C ATOM 0 H VAL A 16 0.921 6.215 7.228 1.00 0.00 H new ATOM 0 HA VAL A 16 1.544 5.627 4.342 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.706 4.093 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.631 2.225 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.609 3.638 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.048 3.297 4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.509 2.523 6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.944 3.574 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.447 4.156 7.526 1.00 0.00 H new ATOM 254 N LEU A 17 -0.099 7.322 3.939 1.00 0.00 N ATOM 255 CA LEU A 17 -1.160 8.293 3.509 1.00 0.00 C ATOM 256 C LEU A 17 -1.877 7.825 2.258 1.00 0.00 C ATOM 257 O LEU A 17 -1.290 7.541 1.237 1.00 0.00 O ATOM 258 CB LEU A 17 -0.467 9.613 3.285 1.00 0.00 C ATOM 259 CG LEU A 17 -0.996 10.642 4.263 1.00 0.00 C ATOM 260 CD1 LEU A 17 -0.479 12.028 3.886 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.523 10.635 4.252 1.00 0.00 C ATOM 0 H LEU A 17 0.780 7.396 3.427 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.932 8.382 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.609 9.496 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.631 9.952 2.262 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.648 10.392 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.863 12.764 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.611 12.030 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.815 12.281 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.895 11.378 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.881 10.875 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.884 9.648 4.540 1.00 0.00 H new ATOM 273 N VAL A 18 -3.167 7.757 2.359 1.00 0.00 N ATOM 274 CA VAL A 18 -3.997 7.312 1.192 1.00 0.00 C ATOM 275 C VAL A 18 -5.296 8.133 1.126 1.00 0.00 C ATOM 276 O VAL A 18 -5.834 8.520 2.145 1.00 0.00 O ATOM 277 CB VAL A 18 -4.301 5.838 1.455 1.00 0.00 C ATOM 278 CG1 VAL A 18 -5.050 5.237 0.263 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.992 5.069 1.659 1.00 0.00 C ATOM 0 H VAL A 18 -3.695 7.990 3.200 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.483 7.453 0.241 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.918 5.761 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.263 4.186 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.986 5.775 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.435 5.322 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.213 4.018 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.375 5.156 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.455 5.485 2.512 1.00 0.00 H new ATOM 289 N PRO A 19 -5.745 8.393 -0.081 1.00 0.00 N ATOM 290 CA PRO A 19 -6.981 9.205 -0.291 1.00 0.00 C ATOM 291 C PRO A 19 -8.236 8.447 0.182 1.00 0.00 C ATOM 292 O PRO A 19 -8.401 7.278 -0.103 1.00 0.00 O ATOM 293 CB PRO A 19 -7.008 9.415 -1.810 1.00 0.00 C ATOM 294 CG PRO A 19 -6.233 8.288 -2.369 1.00 0.00 C ATOM 295 CD PRO A 19 -5.156 7.959 -1.357 1.00 0.00 C ATOM 0 HA PRO A 19 -6.976 10.138 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.030 9.417 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.564 10.372 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.876 7.425 -2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.793 8.559 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.922 6.894 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.227 8.488 -1.572 1.00 0.00 H new ATOM 303 N GLY A 20 -9.125 9.099 0.902 1.00 0.00 N ATOM 304 CA GLY A 20 -10.355 8.401 1.377 1.00 0.00 C ATOM 305 C GLY A 20 -10.277 8.223 2.892 1.00 0.00 C ATOM 306 O GLY A 20 -10.916 8.928 3.650 1.00 0.00 O ATOM 0 H GLY A 20 -9.047 10.078 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.241 8.978 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.449 7.431 0.889 1.00 0.00 H new ATOM 310 N CYS A 21 -9.492 7.285 3.336 1.00 0.00 N ATOM 311 CA CYS A 21 -9.354 7.051 4.818 1.00 0.00 C ATOM 312 C CYS A 21 -8.279 7.992 5.393 1.00 0.00 C ATOM 313 O CYS A 21 -7.210 8.111 4.825 1.00 0.00 O ATOM 314 CB CYS A 21 -8.931 5.589 4.996 1.00 0.00 C ATOM 315 SG CYS A 21 -9.675 4.548 3.700 1.00 0.00 S ATOM 0 H CYS A 21 -8.936 6.665 2.746 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.289 7.250 5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.845 5.511 4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.239 5.232 5.979 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.014 4.697 2.591 1.00 0.00 H new ATOM 320 N HIS A 22 -8.513 8.662 6.509 1.00 0.00 N ATOM 321 CA HIS A 22 -7.440 9.557 7.040 1.00 0.00 C ATOM 322 C HIS A 22 -7.391 9.505 8.547 1.00 0.00 C ATOM 323 O HIS A 22 -6.713 10.284 9.188 1.00 0.00 O ATOM 324 CB HIS A 22 -7.747 10.978 6.527 1.00 0.00 C ATOM 325 CG HIS A 22 -9.150 11.354 6.911 1.00 0.00 C ATOM 326 ND1 HIS A 22 -10.363 10.777 6.630 1.00 0.00 N flip ATOM 327 CD2 HIS A 22 -9.431 12.460 7.697 1.00 0.00 C flip ATOM 328 CE1 HIS A 22 -11.382 11.511 7.229 1.00 0.00 C flip ATOM 329 NE2 HIS A 22 -10.766 12.514 7.860 1.00 0.00 N flip ATOM 0 H HIS A 22 -9.374 8.626 7.054 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.457 9.236 6.695 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.039 11.690 6.950 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.631 11.019 5.444 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.710 13.153 8.105 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.443 11.312 7.192 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.248 13.233 8.399 1.00 0.00 H new ATOM 337 N GLY A 23 -8.055 8.565 9.124 1.00 0.00 N ATOM 338 CA GLY A 23 -7.973 8.448 10.607 1.00 0.00 C ATOM 339 C GLY A 23 -8.812 7.270 11.110 1.00 0.00 C ATOM 340 O GLY A 23 -9.056 6.325 10.387 1.00 0.00 O ATOM 0 H GLY A 23 -8.644 7.878 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.934 8.314 10.908 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.322 9.372 11.068 1.00 0.00 H new ATOM 473 N GLY A 32 -15.652 6.175 -8.735 1.00 0.00 N ATOM 474 CA GLY A 32 -14.410 6.204 -9.512 1.00 0.00 C ATOM 475 C GLY A 32 -13.353 5.554 -8.632 1.00 0.00 C ATOM 476 O GLY A 32 -13.194 5.963 -7.501 1.00 0.00 O ATOM 0 HA2 GLY A 32 -14.524 5.662 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.132 7.227 -9.766 1.00 0.00 H new ATOM 480 N LYS A 33 -12.689 4.493 -9.050 1.00 0.00 N ATOM 481 CA LYS A 33 -11.777 3.871 -8.102 1.00 0.00 C ATOM 482 C LYS A 33 -10.303 3.867 -8.478 1.00 0.00 C ATOM 483 O LYS A 33 -9.825 2.999 -9.194 1.00 0.00 O ATOM 484 CB LYS A 33 -12.308 2.494 -7.939 1.00 0.00 C ATOM 485 CG LYS A 33 -13.720 2.636 -7.427 1.00 0.00 C ATOM 486 CD LYS A 33 -13.706 3.222 -6.024 1.00 0.00 C ATOM 487 CE LYS A 33 -13.901 2.108 -4.992 1.00 0.00 C ATOM 488 NZ LYS A 33 -12.522 1.668 -4.630 1.00 0.00 N ATOM 0 H LYS A 33 -12.752 4.065 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.759 4.457 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.292 1.957 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.697 1.923 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.295 3.279 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.213 1.664 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.761 3.735 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.497 3.966 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.441 2.471 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.482 1.284 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.542 1.187 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.165 1.013 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.897 2.497 -4.574 1.00 0.00 H new ATOM 502 N PRO A 34 -9.631 4.829 -7.947 1.00 0.00 N ATOM 503 CA PRO A 34 -8.176 4.997 -8.102 1.00 0.00 C ATOM 504 C PRO A 34 -7.504 4.632 -6.787 1.00 0.00 C ATOM 505 O PRO A 34 -8.027 4.885 -5.720 1.00 0.00 O ATOM 506 CB PRO A 34 -8.086 6.497 -8.349 1.00 0.00 C ATOM 507 CG PRO A 34 -9.304 7.079 -7.650 1.00 0.00 C ATOM 508 CD PRO A 34 -10.174 5.919 -7.189 1.00 0.00 C ATOM 0 HA PRO A 34 -7.708 4.391 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.162 6.910 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.096 6.724 -9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.001 7.690 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.860 7.728 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.095 5.750 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.228 6.085 -7.409 1.00 0.00 H new ATOM 516 N PHE A 35 -6.345 4.059 -6.846 1.00 0.00 N ATOM 517 CA PHE A 35 -5.656 3.712 -5.572 1.00 0.00 C ATOM 518 C PHE A 35 -4.315 4.430 -5.517 1.00 0.00 C ATOM 519 O PHE A 35 -3.337 3.980 -6.088 1.00 0.00 O ATOM 520 CB PHE A 35 -5.445 2.202 -5.546 1.00 0.00 C ATOM 521 CG PHE A 35 -6.567 1.490 -6.292 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.905 1.885 -6.104 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.276 0.427 -7.163 1.00 0.00 C ATOM 524 CE1 PHE A 35 -8.935 1.221 -6.778 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.310 -0.233 -7.837 1.00 0.00 C ATOM 526 CZ PHE A 35 -8.638 0.163 -7.644 1.00 0.00 C ATOM 0 H PHE A 35 -5.846 3.817 -7.702 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.253 4.018 -4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.485 1.956 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.408 1.852 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.137 2.703 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.252 0.118 -7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.961 1.525 -6.630 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.082 -1.049 -8.507 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.435 -0.348 -8.164 1.00 0.00 H new ATOM 536 N GLN A 36 -4.273 5.549 -4.864 1.00 0.00 N ATOM 537 CA GLN A 36 -2.990 6.320 -4.762 1.00 0.00 C ATOM 538 C GLN A 36 -2.524 6.327 -3.290 1.00 0.00 C ATOM 539 O GLN A 36 -2.789 7.262 -2.561 1.00 0.00 O ATOM 540 CB GLN A 36 -3.316 7.735 -5.228 1.00 0.00 C ATOM 541 CG GLN A 36 -3.546 7.718 -6.681 1.00 0.00 C ATOM 542 CD GLN A 36 -4.865 6.986 -7.018 1.00 0.00 C ATOM 543 OE1 GLN A 36 -5.854 7.187 -6.341 1.00 0.00 O ATOM 544 NE2 GLN A 36 -4.942 6.134 -8.031 1.00 0.00 N ATOM 0 H GLN A 36 -5.070 5.974 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.193 5.885 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.200 8.108 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.496 8.410 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.584 8.739 -7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.712 7.224 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.121 5.954 -8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.822 5.659 -8.232 1.00 0.00 H new ATOM 553 N LEU A 37 -1.840 5.296 -2.839 1.00 0.00 N ATOM 554 CA LEU A 37 -1.381 5.263 -1.423 1.00 0.00 C ATOM 555 C LEU A 37 0.154 5.417 -1.368 1.00 0.00 C ATOM 556 O LEU A 37 0.864 4.954 -2.234 1.00 0.00 O ATOM 557 CB LEU A 37 -1.857 3.880 -0.888 1.00 0.00 C ATOM 558 CG LEU A 37 -1.203 2.725 -1.647 1.00 0.00 C ATOM 559 CD1 LEU A 37 -0.091 2.106 -0.793 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.250 1.639 -1.939 1.00 0.00 C ATOM 0 H LEU A 37 -1.584 4.481 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.784 6.075 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.620 3.799 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.941 3.808 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.789 3.109 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.372 1.284 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.661 2.863 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.514 1.731 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.781 0.817 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.661 1.268 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.052 2.061 -2.544 1.00 0.00 H new ATOM 572 N GLU A 38 0.664 6.091 -0.359 1.00 0.00 N ATOM 573 CA GLU A 38 2.136 6.311 -0.247 1.00 0.00 C ATOM 574 C GLU A 38 2.536 6.173 1.185 1.00 0.00 C ATOM 575 O GLU A 38 1.849 6.571 2.096 1.00 0.00 O ATOM 576 CB GLU A 38 2.362 7.743 -0.762 1.00 0.00 C ATOM 577 CG GLU A 38 1.764 8.745 0.230 1.00 0.00 C ATOM 578 CD GLU A 38 2.757 8.997 1.365 1.00 0.00 C ATOM 579 OE1 GLU A 38 3.899 9.304 1.070 1.00 0.00 O ATOM 580 OE2 GLU A 38 2.357 8.879 2.513 1.00 0.00 O ATOM 0 H GLU A 38 0.113 6.500 0.396 1.00 0.00 H new ATOM 0 HA GLU A 38 2.728 5.595 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.428 7.932 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.900 7.865 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.532 9.681 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.827 8.359 0.632 1.00 0.00 H new ATOM 587 N ALA A 39 3.630 5.545 1.371 1.00 0.00 N ATOM 588 CA ALA A 39 4.094 5.283 2.770 1.00 0.00 C ATOM 589 C ALA A 39 5.608 5.399 2.927 1.00 0.00 C ATOM 590 O ALA A 39 6.390 5.102 2.044 1.00 0.00 O ATOM 591 CB ALA A 39 3.655 3.840 3.038 1.00 0.00 C ATOM 0 H ALA A 39 4.239 5.193 0.632 1.00 0.00 H new ATOM 0 HA ALA A 39 3.676 6.013 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.951 3.551 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.572 3.766 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.129 3.175 2.316 1.00 0.00 H new ATOM 597 N VAL A 40 5.984 5.813 4.101 1.00 0.00 N ATOM 598 CA VAL A 40 7.413 5.966 4.477 1.00 0.00 C ATOM 599 C VAL A 40 7.772 4.891 5.507 1.00 0.00 C ATOM 600 O VAL A 40 6.989 4.561 6.395 1.00 0.00 O ATOM 601 CB VAL A 40 7.604 7.364 5.041 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.152 8.283 3.949 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.279 7.909 5.529 1.00 0.00 C ATOM 0 H VAL A 40 5.332 6.061 4.845 1.00 0.00 H new ATOM 0 HA VAL A 40 8.069 5.841 3.615 1.00 0.00 H new ATOM 0 HB VAL A 40 8.306 7.319 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.289 9.286 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.110 7.899 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.448 8.320 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.424 8.911 5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.574 7.950 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.883 7.258 6.309 1.00 0.00 H new ATOM 613 N PHE A 41 8.965 4.341 5.349 1.00 0.00 N ATOM 614 CA PHE A 41 9.482 3.267 6.215 1.00 0.00 C ATOM 615 C PHE A 41 11.015 3.296 6.118 1.00 0.00 C ATOM 616 O PHE A 41 11.578 3.263 5.038 1.00 0.00 O ATOM 617 CB PHE A 41 8.974 1.947 5.599 1.00 0.00 C ATOM 618 CG PHE A 41 9.068 2.014 4.082 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.292 1.767 3.439 1.00 0.00 C ATOM 620 CD2 PHE A 41 7.930 2.308 3.319 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.377 1.819 2.042 1.00 0.00 C ATOM 622 CE2 PHE A 41 8.017 2.356 1.922 1.00 0.00 C ATOM 623 CZ PHE A 41 9.241 2.114 1.285 1.00 0.00 C ATOM 0 H PHE A 41 9.615 4.622 4.614 1.00 0.00 H new ATOM 0 HA PHE A 41 9.168 3.374 7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.565 1.110 5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.942 1.768 5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.170 1.536 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.986 2.498 3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.320 1.631 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.139 2.580 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.306 2.156 0.208 1.00 0.00 H new ATOM 633 N GLU A 42 11.696 3.361 7.203 1.00 0.00 N ATOM 634 CA GLU A 42 13.189 3.350 7.140 1.00 0.00 C ATOM 635 C GLU A 42 13.649 1.972 6.726 1.00 0.00 C ATOM 636 O GLU A 42 12.986 0.972 6.912 1.00 0.00 O ATOM 637 CB GLU A 42 13.704 3.625 8.532 1.00 0.00 C ATOM 638 CG GLU A 42 15.102 4.224 8.400 1.00 0.00 C ATOM 639 CD GLU A 42 15.533 4.830 9.737 1.00 0.00 C ATOM 640 OE1 GLU A 42 15.997 4.082 10.583 1.00 0.00 O ATOM 641 OE2 GLU A 42 15.394 6.032 9.892 1.00 0.00 O ATOM 0 H GLU A 42 11.298 3.422 8.140 1.00 0.00 H new ATOM 0 HA GLU A 42 13.552 4.093 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.041 4.313 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.736 2.706 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.810 3.454 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.108 4.990 7.624 1.00 0.00 H new ATOM 648 N ALA A 43 14.800 1.945 6.202 1.00 0.00 N ATOM 649 CA ALA A 43 15.435 0.662 5.769 1.00 0.00 C ATOM 650 C ALA A 43 16.207 0.109 6.935 1.00 0.00 C ATOM 651 O ALA A 43 16.911 0.829 7.614 1.00 0.00 O ATOM 652 CB ALA A 43 16.386 1.048 4.631 1.00 0.00 C ATOM 0 H ALA A 43 15.371 2.774 6.038 1.00 0.00 H new ATOM 0 HA ALA A 43 14.716 -0.090 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.891 0.156 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.818 1.507 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.127 1.757 5.001 1.00 0.00 H new ATOM 658 N ASN A 44 16.102 -1.162 7.182 1.00 0.00 N ATOM 659 CA ASN A 44 16.861 -1.696 8.308 1.00 0.00 C ATOM 660 C ASN A 44 17.881 -2.707 7.931 1.00 0.00 C ATOM 661 O ASN A 44 18.089 -3.751 8.519 1.00 0.00 O ATOM 662 CB ASN A 44 15.936 -2.101 9.459 1.00 0.00 C ATOM 663 CG ASN A 44 14.909 -3.183 9.027 1.00 0.00 C ATOM 664 OD1 ASN A 44 14.068 -3.000 8.018 1.00 0.00 O flip ATOM 665 ND2 ASN A 44 14.869 -4.235 9.632 1.00 0.00 N flip ATOM 0 H ASN A 44 15.535 -1.830 6.660 1.00 0.00 H new ATOM 0 HA ASN A 44 17.475 -0.882 8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.534 -2.479 10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.405 -1.222 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.506 -4.399 10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.199 -4.954 9.360 1.00 0.00 H new ATOM 672 N GLN A 45 18.577 -2.248 6.989 1.00 0.00 N ATOM 673 CA GLN A 45 19.745 -2.898 6.439 1.00 0.00 C ATOM 674 C GLN A 45 20.201 -2.284 5.141 1.00 0.00 C ATOM 675 O GLN A 45 19.938 -1.132 4.828 1.00 0.00 O ATOM 676 CB GLN A 45 19.334 -4.293 6.165 1.00 0.00 C ATOM 677 CG GLN A 45 17.980 -4.254 5.489 1.00 0.00 C ATOM 678 CD GLN A 45 17.277 -5.616 5.646 1.00 0.00 C ATOM 679 OE1 GLN A 45 17.698 -6.428 6.447 1.00 0.00 O ATOM 680 NE2 GLN A 45 16.221 -5.910 4.923 1.00 0.00 N ATOM 0 H GLN A 45 18.363 -1.361 6.533 1.00 0.00 H new ATOM 0 HA GLN A 45 20.572 -2.808 7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 45 20.065 -4.788 5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 45 19.282 -4.865 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.367 -3.466 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 45 18.098 -4.015 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.861 -5.235 4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.761 -6.813 5.036 1.00 0.00 H new ATOM 689 N ASN A 46 20.936 -3.035 4.407 1.00 0.00 N ATOM 690 CA ASN A 46 21.476 -2.569 3.127 1.00 0.00 C ATOM 691 C ASN A 46 20.760 -3.279 2.027 1.00 0.00 C ATOM 692 O ASN A 46 20.230 -4.359 2.182 1.00 0.00 O ATOM 693 CB ASN A 46 22.878 -3.016 3.188 1.00 0.00 C ATOM 694 CG ASN A 46 23.678 -2.438 2.019 1.00 0.00 C ATOM 695 OD1 ASN A 46 23.497 -2.840 0.888 1.00 0.00 O ATOM 696 ND2 ASN A 46 24.563 -1.507 2.247 1.00 0.00 N ATOM 0 H ASN A 46 21.195 -3.991 4.651 1.00 0.00 H new ATOM 0 HA ASN A 46 21.375 -1.498 2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.325 -2.703 4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.920 -4.105 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 46 25.103 -1.117 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 46 24.715 -1.169 3.197 1.00 0.00 H new ATOM 703 N THR A 47 20.719 -2.657 0.939 1.00 0.00 N ATOM 704 CA THR A 47 19.983 -3.276 -0.216 1.00 0.00 C ATOM 705 C THR A 47 20.164 -2.503 -1.514 1.00 0.00 C ATOM 706 O THR A 47 20.396 -1.323 -1.497 1.00 0.00 O ATOM 707 CB THR A 47 18.513 -3.204 0.236 1.00 0.00 C ATOM 708 OG1 THR A 47 17.656 -3.200 -0.896 1.00 0.00 O ATOM 709 CG2 THR A 47 18.246 -1.930 1.052 1.00 0.00 C ATOM 0 H THR A 47 21.148 -1.749 0.759 1.00 0.00 H new ATOM 0 HA THR A 47 20.343 -4.282 -0.433 1.00 0.00 H new ATOM 0 HB THR A 47 18.316 -4.077 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.723 -3.156 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.200 -1.906 1.358 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.883 -1.924 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.466 -1.054 0.441 1.00 0.00 H new ATOM 717 N LYS A 48 20.037 -3.144 -2.649 1.00 0.00 N ATOM 718 CA LYS A 48 20.172 -2.373 -3.938 1.00 0.00 C ATOM 719 C LYS A 48 18.836 -2.365 -4.720 1.00 0.00 C ATOM 720 O LYS A 48 18.789 -1.901 -5.837 1.00 0.00 O ATOM 721 CB LYS A 48 21.233 -3.082 -4.761 1.00 0.00 C ATOM 722 CG LYS A 48 22.496 -3.278 -3.924 1.00 0.00 C ATOM 723 CD LYS A 48 23.007 -4.711 -4.090 1.00 0.00 C ATOM 724 CE LYS A 48 24.264 -4.706 -4.965 1.00 0.00 C ATOM 725 NZ LYS A 48 23.763 -4.776 -6.367 1.00 0.00 N ATOM 0 H LYS A 48 19.850 -4.142 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 48 20.442 -1.337 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.858 -4.048 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.464 -2.499 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.264 -2.569 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.283 -3.077 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.231 -5.144 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.236 -5.333 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.854 -3.804 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.908 -5.554 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.569 -4.777 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.211 -5.648 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.159 -3.952 -6.561 1.00 0.00 H new ATOM 739 N THR A 49 17.749 -2.869 -4.152 1.00 0.00 N ATOM 740 CA THR A 49 16.449 -2.873 -4.877 1.00 0.00 C ATOM 741 C THR A 49 15.306 -3.241 -3.951 1.00 0.00 C ATOM 742 O THR A 49 15.456 -3.987 -3.004 1.00 0.00 O ATOM 743 CB THR A 49 16.570 -3.874 -5.987 1.00 0.00 C ATOM 744 OG1 THR A 49 17.469 -4.914 -5.628 1.00 0.00 O ATOM 745 CG2 THR A 49 17.065 -3.126 -7.211 1.00 0.00 C ATOM 0 H THR A 49 17.721 -3.275 -3.217 1.00 0.00 H new ATOM 0 HA THR A 49 16.230 -1.880 -5.268 1.00 0.00 H new ATOM 0 HB THR A 49 15.608 -4.343 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.534 -5.558 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.167 -3.820 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.351 -2.346 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.033 -2.674 -6.994 1.00 0.00 H new ATOM 753 N ALA A 50 14.162 -2.721 -4.240 1.00 0.00 N ATOM 754 CA ALA A 50 12.962 -3.029 -3.399 1.00 0.00 C ATOM 755 C ALA A 50 11.691 -2.963 -4.223 1.00 0.00 C ATOM 756 O ALA A 50 11.220 -1.916 -4.613 1.00 0.00 O ATOM 757 CB ALA A 50 12.937 -1.983 -2.278 1.00 0.00 C ATOM 0 H ALA A 50 13.991 -2.091 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 50 13.020 -4.039 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.077 -2.162 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.853 -2.056 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.863 -0.986 -2.712 1.00 0.00 H new ATOM 763 N LYS A 51 11.138 -4.107 -4.451 1.00 0.00 N ATOM 764 CA LYS A 51 9.855 -4.210 -5.232 1.00 0.00 C ATOM 765 C LYS A 51 8.664 -3.814 -4.355 1.00 0.00 C ATOM 766 O LYS A 51 8.806 -3.400 -3.212 1.00 0.00 O ATOM 767 CB LYS A 51 9.717 -5.682 -5.682 1.00 0.00 C ATOM 768 CG LYS A 51 9.781 -6.600 -4.463 1.00 0.00 C ATOM 769 CD LYS A 51 8.487 -7.422 -4.375 1.00 0.00 C ATOM 770 CE LYS A 51 8.300 -8.231 -5.662 1.00 0.00 C ATOM 771 NZ LYS A 51 7.053 -9.020 -5.445 1.00 0.00 N ATOM 0 H LYS A 51 11.514 -5.000 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 51 9.871 -3.539 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.773 -5.825 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.513 -5.935 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.642 -7.264 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.912 -6.010 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.528 -8.092 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.634 -6.760 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.207 -7.577 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.153 -8.884 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.868 -9.613 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.167 -9.626 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.253 -8.372 -5.297 1.00 0.00 H new ATOM 785 N ILE A 52 7.496 -3.994 -4.886 1.00 0.00 N ATOM 786 CA ILE A 52 6.231 -3.650 -4.144 1.00 0.00 C ATOM 787 C ILE A 52 5.142 -4.693 -4.430 1.00 0.00 C ATOM 788 O ILE A 52 4.993 -5.143 -5.549 1.00 0.00 O ATOM 789 CB ILE A 52 5.743 -2.275 -4.671 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.810 -1.240 -4.469 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.514 -1.842 -3.870 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.234 0.129 -4.877 1.00 0.00 C ATOM 0 H ILE A 52 7.347 -4.372 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 52 6.425 -3.627 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 52 5.507 -2.367 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.131 -1.223 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.688 -1.477 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.164 -0.876 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.723 -2.582 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.778 -1.759 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.993 0.899 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.934 0.100 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.367 0.358 -4.257 1.00 0.00 H new ATOM 804 N GLU A 53 4.369 -5.084 -3.443 1.00 0.00 N ATOM 805 CA GLU A 53 3.310 -6.082 -3.701 1.00 0.00 C ATOM 806 C GLU A 53 2.056 -5.753 -2.938 1.00 0.00 C ATOM 807 O GLU A 53 1.962 -5.856 -1.726 1.00 0.00 O ATOM 808 CB GLU A 53 3.898 -7.409 -3.281 1.00 0.00 C ATOM 809 CG GLU A 53 2.817 -8.495 -3.278 1.00 0.00 C ATOM 810 CD GLU A 53 2.904 -9.303 -4.574 1.00 0.00 C ATOM 811 OE1 GLU A 53 3.990 -9.391 -5.123 1.00 0.00 O ATOM 812 OE2 GLU A 53 1.882 -9.819 -4.997 1.00 0.00 O ATOM 0 H GLU A 53 4.433 -4.752 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 53 3.013 -6.099 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.702 -7.689 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.337 -7.321 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.948 -9.152 -2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.830 -8.041 -3.185 1.00 0.00 H new ATOM 819 N ILE A 54 1.100 -5.366 -3.699 1.00 0.00 N ATOM 820 CA ILE A 54 -0.246 -4.998 -3.170 1.00 0.00 C ATOM 821 C ILE A 54 -1.149 -6.216 -3.162 1.00 0.00 C ATOM 822 O ILE A 54 -1.344 -6.881 -4.160 1.00 0.00 O ATOM 823 CB ILE A 54 -0.787 -4.005 -4.167 1.00 0.00 C ATOM 824 CG1 ILE A 54 -2.179 -3.631 -3.707 1.00 0.00 C ATOM 825 CG2 ILE A 54 -0.850 -4.643 -5.562 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.232 -2.132 -3.432 1.00 0.00 C ATOM 0 H ILE A 54 1.185 -5.281 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.193 -4.605 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.146 -3.125 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.911 -3.899 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.439 -4.187 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.242 -3.919 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.151 -4.949 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.503 -5.515 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.234 -1.858 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.511 -1.879 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.990 -1.586 -4.344 1.00 0.00 H new ATOM 838 N LYS A 55 -1.743 -6.466 -2.055 1.00 0.00 N ATOM 839 CA LYS A 55 -2.713 -7.607 -1.963 1.00 0.00 C ATOM 840 C LYS A 55 -4.028 -7.009 -1.471 1.00 0.00 C ATOM 841 O LYS A 55 -4.151 -6.637 -0.324 1.00 0.00 O ATOM 842 CB LYS A 55 -2.144 -8.643 -0.967 1.00 0.00 C ATOM 843 CG LYS A 55 -2.932 -9.951 -1.100 1.00 0.00 C ATOM 844 CD LYS A 55 -4.259 -9.833 -0.349 1.00 0.00 C ATOM 845 CE LYS A 55 -3.991 -9.412 1.097 1.00 0.00 C ATOM 846 NZ LYS A 55 -5.125 -9.981 1.876 1.00 0.00 N ATOM 0 H LYS A 55 -1.612 -5.938 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.874 -8.114 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.087 -8.818 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.215 -8.263 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.117 -10.170 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.349 -10.780 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.902 -9.102 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.787 -10.786 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.035 -9.798 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.951 -8.327 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.014 -9.735 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.021 -9.590 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.133 -11.016 1.772 1.00 0.00 H new ATOM 860 N ALA A 56 -4.993 -6.835 -2.341 1.00 0.00 N ATOM 861 CA ALA A 56 -6.239 -6.164 -1.898 1.00 0.00 C ATOM 862 C ALA A 56 -7.453 -7.083 -1.914 1.00 0.00 C ATOM 863 O ALA A 56 -7.714 -7.791 -2.867 1.00 0.00 O ATOM 864 CB ALA A 56 -6.390 -5.022 -2.901 1.00 0.00 C ATOM 0 H ALA A 56 -4.968 -7.125 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.179 -5.833 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.289 -4.450 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.519 -4.369 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.470 -5.431 -3.908 1.00 0.00 H new ATOM 870 N SER A 57 -8.219 -7.035 -0.855 1.00 0.00 N ATOM 871 CA SER A 57 -9.459 -7.867 -0.788 1.00 0.00 C ATOM 872 C SER A 57 -10.647 -6.920 -0.964 1.00 0.00 C ATOM 873 O SER A 57 -11.007 -6.216 -0.057 1.00 0.00 O ATOM 874 CB SER A 57 -9.442 -8.518 0.612 1.00 0.00 C ATOM 875 OG SER A 57 -10.256 -7.761 1.496 1.00 0.00 O ATOM 0 H SER A 57 -8.040 -6.457 -0.034 1.00 0.00 H new ATOM 0 HA SER A 57 -9.524 -8.640 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.807 -9.543 0.552 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.421 -8.565 0.991 1.00 0.00 H new ATOM 0 HG SER A 57 -10.261 -6.823 1.213 1.00 0.00 H new ATOM 881 N ILE A 58 -11.219 -6.859 -2.138 1.00 0.00 N ATOM 882 CA ILE A 58 -12.361 -5.888 -2.376 1.00 0.00 C ATOM 883 C ILE A 58 -13.690 -6.643 -2.562 1.00 0.00 C ATOM 884 O ILE A 58 -13.952 -7.284 -3.559 1.00 0.00 O ATOM 885 CB ILE A 58 -11.950 -5.064 -3.645 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.515 -5.719 -4.920 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.427 -4.981 -3.727 1.00 0.00 C ATOM 888 CD1 ILE A 58 -11.751 -5.221 -6.150 1.00 0.00 C ATOM 0 H ILE A 58 -10.958 -7.428 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.527 -5.225 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.363 -4.059 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.435 -6.804 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.575 -5.484 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.141 -4.408 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.041 -4.489 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.011 -5.986 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.158 -5.690 -7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.854 -4.139 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.697 -5.479 -6.053 1.00 0.00 H new ATOM 900 N ASP A 59 -14.522 -6.546 -1.569 1.00 0.00 N ATOM 901 CA ASP A 59 -15.883 -7.220 -1.586 1.00 0.00 C ATOM 902 C ASP A 59 -15.883 -8.550 -2.350 1.00 0.00 C ATOM 903 O ASP A 59 -16.584 -8.717 -3.328 1.00 0.00 O ATOM 904 CB ASP A 59 -16.834 -6.219 -2.277 1.00 0.00 C ATOM 905 CG ASP A 59 -16.108 -5.551 -3.447 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.094 -6.133 -4.519 1.00 0.00 O ATOM 907 OD2 ASP A 59 -15.580 -4.468 -3.251 1.00 0.00 O ATOM 0 H ASP A 59 -14.328 -6.019 -0.718 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.188 -7.465 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.725 -6.735 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.167 -5.465 -1.563 1.00 0.00 H new ATOM 912 N GLY A 60 -15.143 -9.509 -1.876 1.00 0.00 N ATOM 913 CA GLY A 60 -15.131 -10.851 -2.521 1.00 0.00 C ATOM 914 C GLY A 60 -14.281 -10.856 -3.785 1.00 0.00 C ATOM 915 O GLY A 60 -13.962 -11.898 -4.322 1.00 0.00 O ATOM 0 H GLY A 60 -14.538 -9.421 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.745 -11.590 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.151 -11.147 -2.766 1.00 0.00 H new ATOM 919 N LEU A 61 -13.937 -9.715 -4.285 1.00 0.00 N ATOM 920 CA LEU A 61 -13.152 -9.649 -5.509 1.00 0.00 C ATOM 921 C LEU A 61 -11.723 -9.205 -5.223 1.00 0.00 C ATOM 922 O LEU A 61 -11.244 -8.220 -5.749 1.00 0.00 O ATOM 923 CB LEU A 61 -13.875 -8.616 -6.263 1.00 0.00 C ATOM 924 CG LEU A 61 -13.836 -9.001 -7.732 1.00 0.00 C ATOM 925 CD1 LEU A 61 -15.211 -8.777 -8.365 1.00 0.00 C ATOM 926 CD2 LEU A 61 -12.789 -8.160 -8.463 1.00 0.00 C ATOM 0 H LEU A 61 -14.178 -8.811 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 61 -13.058 -10.603 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.905 -8.540 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.414 -7.640 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.570 -10.055 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -15.176 -9.055 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.952 -9.390 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.486 -7.726 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.767 -8.442 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.044 -7.104 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.808 -8.334 -8.020 1.00 0.00 H new ATOM 938 N GLU A 62 -11.037 -9.927 -4.389 1.00 0.00 N ATOM 939 CA GLU A 62 -9.683 -9.609 -4.033 1.00 0.00 C ATOM 940 C GLU A 62 -8.785 -9.578 -5.262 1.00 0.00 C ATOM 941 O GLU A 62 -8.550 -10.576 -5.916 1.00 0.00 O ATOM 942 CB GLU A 62 -9.461 -10.784 -3.094 1.00 0.00 C ATOM 943 CG GLU A 62 -8.382 -11.723 -3.620 1.00 0.00 C ATOM 944 CD GLU A 62 -7.755 -12.496 -2.458 1.00 0.00 C ATOM 945 OE1 GLU A 62 -6.835 -11.974 -1.853 1.00 0.00 O ATOM 946 OE2 GLU A 62 -8.207 -13.599 -2.193 1.00 0.00 O ATOM 0 H GLU A 62 -11.403 -10.762 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.475 -8.633 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.175 -10.415 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.394 -11.333 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.812 -12.418 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.616 -11.153 -4.145 1.00 0.00 H new ATOM 953 N VAL A 63 -8.283 -8.422 -5.566 1.00 0.00 N ATOM 954 CA VAL A 63 -7.393 -8.285 -6.738 1.00 0.00 C ATOM 955 C VAL A 63 -6.031 -8.855 -6.438 1.00 0.00 C ATOM 956 O VAL A 63 -5.545 -8.837 -5.325 1.00 0.00 O ATOM 957 CB VAL A 63 -7.268 -6.812 -7.023 1.00 0.00 C ATOM 958 CG1 VAL A 63 -8.664 -6.209 -7.173 1.00 0.00 C ATOM 959 CG2 VAL A 63 -6.520 -6.137 -5.871 1.00 0.00 C ATOM 0 H VAL A 63 -8.453 -7.560 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.802 -8.825 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.712 -6.656 -7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.579 -5.142 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.185 -6.698 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.225 -6.356 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.427 -5.070 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.072 -6.284 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.527 -6.576 -5.775 1.00 0.00 H new ATOM 969 N ASP A 64 -5.460 -9.425 -7.429 1.00 0.00 N ATOM 970 CA ASP A 64 -4.178 -10.095 -7.287 1.00 0.00 C ATOM 971 C ASP A 64 -3.281 -9.784 -8.468 1.00 0.00 C ATOM 972 O ASP A 64 -2.973 -10.620 -9.295 1.00 0.00 O ATOM 973 CB ASP A 64 -4.690 -11.463 -7.410 1.00 0.00 C ATOM 974 CG ASP A 64 -3.712 -12.485 -6.831 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.518 -12.251 -6.921 1.00 0.00 O ATOM 976 OD2 ASP A 64 -4.172 -13.488 -6.309 1.00 0.00 O ATOM 0 H ASP A 64 -5.849 -9.454 -8.372 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.590 -9.849 -6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.647 -11.542 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.875 -11.690 -8.460 1.00 0.00 H new ATOM 981 N VAL A 65 -2.873 -8.581 -8.527 1.00 0.00 N ATOM 982 CA VAL A 65 -1.979 -8.135 -9.642 1.00 0.00 C ATOM 983 C VAL A 65 -1.321 -6.799 -9.282 1.00 0.00 C ATOM 984 O VAL A 65 -1.881 -6.026 -8.529 1.00 0.00 O ATOM 985 CB VAL A 65 -2.897 -7.983 -10.862 1.00 0.00 C ATOM 986 CG1 VAL A 65 -3.704 -6.687 -10.747 1.00 0.00 C ATOM 987 CG2 VAL A 65 -2.052 -7.939 -12.138 1.00 0.00 C ATOM 0 H VAL A 65 -3.111 -7.856 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.173 -8.843 -9.836 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.579 -8.832 -10.902 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.354 -6.585 -11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.310 -6.715 -9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.023 -5.837 -10.701 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.706 -7.831 -13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.368 -7.092 -12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.480 -8.863 -12.228 1.00 0.00 H new ATOM 997 N PRO A 66 -0.150 -6.559 -9.822 1.00 0.00 N ATOM 998 CA PRO A 66 0.561 -5.305 -9.529 1.00 0.00 C ATOM 999 C PRO A 66 0.084 -4.178 -10.402 1.00 0.00 C ATOM 1000 O PRO A 66 -0.156 -4.296 -11.587 1.00 0.00 O ATOM 1001 CB PRO A 66 2.016 -5.630 -9.804 1.00 0.00 C ATOM 1002 CG PRO A 66 1.998 -6.775 -10.775 1.00 0.00 C ATOM 1003 CD PRO A 66 0.622 -7.410 -10.739 1.00 0.00 C ATOM 0 HA PRO A 66 0.392 -4.968 -8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.537 -4.769 -10.223 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.537 -5.903 -8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.227 -6.423 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.761 -7.508 -10.512 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.171 -7.437 -11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.668 -8.439 -10.382 1.00 0.00 H new ATOM 1011 N GLY A 67 -0.054 -3.089 -9.758 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.532 -1.835 -10.429 1.00 0.00 C ATOM 1013 C GLY A 67 0.469 -0.693 -10.197 1.00 0.00 C ATOM 1014 O GLY A 67 0.090 0.376 -9.766 1.00 0.00 O ATOM 0 H GLY A 67 0.144 -2.986 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.654 -2.010 -11.498 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.510 -1.555 -10.038 1.00 0.00 H new ATOM 1018 N ILE A 68 1.750 -0.901 -10.444 1.00 0.00 N ATOM 1019 CA ILE A 68 2.730 0.179 -10.195 1.00 0.00 C ATOM 1020 C ILE A 68 4.146 -0.291 -10.586 1.00 0.00 C ATOM 1021 O ILE A 68 4.329 -1.411 -11.015 1.00 0.00 O ATOM 1022 CB ILE A 68 2.610 0.347 -8.685 1.00 0.00 C ATOM 1023 CG1 ILE A 68 2.977 1.750 -8.273 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.508 -0.654 -7.966 1.00 0.00 C ATOM 1025 CD1 ILE A 68 1.942 2.731 -8.810 1.00 0.00 C ATOM 0 H ILE A 68 2.142 -1.771 -10.805 1.00 0.00 H new ATOM 0 HA ILE A 68 2.555 1.095 -10.759 1.00 0.00 H new ATOM 0 HB ILE A 68 1.573 0.160 -8.405 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.028 1.819 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.966 2.004 -8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.411 -0.521 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.211 -1.668 -8.235 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.545 -0.489 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.211 3.744 -8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.913 2.670 -9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.961 2.482 -8.407 1.00 0.00 H new ATOM 1037 N ASP A 69 5.151 0.519 -10.357 1.00 0.00 N ATOM 1038 CA ASP A 69 6.556 0.058 -10.621 1.00 0.00 C ATOM 1039 C ASP A 69 7.233 -0.045 -9.279 1.00 0.00 C ATOM 1040 O ASP A 69 7.930 0.840 -8.823 1.00 0.00 O ATOM 1041 CB ASP A 69 7.274 1.031 -11.522 1.00 0.00 C ATOM 1042 CG ASP A 69 8.462 0.324 -12.177 1.00 0.00 C ATOM 1043 OD1 ASP A 69 8.628 -0.860 -11.938 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.188 0.982 -12.905 1.00 0.00 O ATOM 0 H ASP A 69 5.064 1.471 -10.002 1.00 0.00 H new ATOM 0 HA ASP A 69 6.567 -0.905 -11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.594 1.409 -12.285 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.618 1.891 -10.948 1.00 0.00 H new ATOM 1049 N PRO A 70 6.975 -1.173 -8.712 1.00 0.00 N ATOM 1050 CA PRO A 70 7.500 -1.581 -7.384 1.00 0.00 C ATOM 1051 C PRO A 70 8.998 -1.368 -7.166 1.00 0.00 C ATOM 1052 O PRO A 70 9.488 -1.543 -6.073 1.00 0.00 O ATOM 1053 CB PRO A 70 7.194 -3.063 -7.391 1.00 0.00 C ATOM 1054 CG PRO A 70 6.994 -3.365 -8.854 1.00 0.00 C ATOM 1055 CD PRO A 70 6.165 -2.247 -9.267 1.00 0.00 C ATOM 0 HA PRO A 70 7.053 -0.986 -6.588 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.012 -3.645 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.303 -3.293 -6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.937 -3.400 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.499 -4.323 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.053 -2.179 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.161 -2.284 -8.844 1.00 0.00 H new ATOM 1063 N ASN A 71 9.737 -1.013 -8.157 1.00 0.00 N ATOM 1064 CA ASN A 71 11.191 -0.837 -7.932 1.00 0.00 C ATOM 1065 C ASN A 71 11.517 0.648 -7.807 1.00 0.00 C ATOM 1066 O ASN A 71 11.800 1.318 -8.781 1.00 0.00 O ATOM 1067 CB ASN A 71 11.869 -1.449 -9.151 1.00 0.00 C ATOM 1068 CG ASN A 71 11.099 -2.693 -9.620 1.00 0.00 C ATOM 1069 OD1 ASN A 71 11.130 -3.719 -8.969 1.00 0.00 O ATOM 1070 ND2 ASN A 71 10.405 -2.649 -10.729 1.00 0.00 N ATOM 0 H ASN A 71 9.410 -0.837 -9.107 1.00 0.00 H new ATOM 0 HA ASN A 71 11.531 -1.315 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.915 -0.716 -9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.896 -1.719 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.893 -3.473 -11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.376 -1.790 -11.279 1.00 0.00 H new ATOM 1077 N ALA A 72 11.483 1.171 -6.610 1.00 0.00 N ATOM 1078 CA ALA A 72 11.790 2.610 -6.418 1.00 0.00 C ATOM 1079 C ALA A 72 13.298 2.819 -6.470 1.00 0.00 C ATOM 1080 O ALA A 72 13.787 3.900 -6.205 1.00 0.00 O ATOM 1081 CB ALA A 72 11.249 2.965 -5.033 1.00 0.00 C ATOM 0 H ALA A 72 11.255 0.659 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 72 11.343 3.235 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.443 4.017 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.175 2.781 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.743 2.350 -4.281 1.00 0.00 H new ATOM 1087 N CYS A 73 14.051 1.801 -6.804 1.00 0.00 N ATOM 1088 CA CYS A 73 15.500 1.970 -6.857 1.00 0.00 C ATOM 1089 C CYS A 73 15.869 2.659 -8.150 1.00 0.00 C ATOM 1090 O CYS A 73 16.851 3.369 -8.236 1.00 0.00 O ATOM 1091 CB CYS A 73 16.000 0.549 -6.797 1.00 0.00 C ATOM 1092 SG CYS A 73 17.706 0.445 -7.400 1.00 0.00 S ATOM 0 H CYS A 73 13.708 0.869 -7.039 1.00 0.00 H new ATOM 0 HA CYS A 73 15.925 2.584 -6.063 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.948 0.183 -5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.357 -0.094 -7.398 1.00 0.00 H new ATOM 1097 N HIS A 74 15.056 2.499 -9.145 1.00 0.00 N ATOM 1098 CA HIS A 74 15.332 3.193 -10.401 1.00 0.00 C ATOM 1099 C HIS A 74 14.873 4.643 -10.277 1.00 0.00 C ATOM 1100 O HIS A 74 14.928 5.406 -11.222 1.00 0.00 O ATOM 1101 CB HIS A 74 14.617 2.487 -11.549 1.00 0.00 C ATOM 1102 CG HIS A 74 14.387 1.047 -11.229 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.283 0.349 -10.468 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.410 0.154 -11.588 1.00 0.00 C ATOM 1105 CE1 HIS A 74 14.850 -0.922 -10.382 1.00 0.00 C ATOM 1106 NE2 HIS A 74 13.706 -1.096 -11.051 1.00 0.00 N ATOM 0 H HIS A 74 14.218 1.918 -9.135 1.00 0.00 H new ATOM 0 HA HIS A 74 16.401 3.179 -10.611 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.663 2.977 -11.745 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.211 2.571 -12.459 1.00 0.00 H new ATOM 0 HD1 HIS A 74 16.130 0.725 -10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.546 0.385 -12.193 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.362 -1.703 -9.840 1.00 0.00 H new ATOM 1114 N TYR A 75 14.465 5.047 -9.094 1.00 0.00 N ATOM 1115 CA TYR A 75 14.059 6.437 -8.886 1.00 0.00 C ATOM 1116 C TYR A 75 14.697 6.982 -7.605 1.00 0.00 C ATOM 1117 O TYR A 75 14.518 8.137 -7.270 1.00 0.00 O ATOM 1118 CB TYR A 75 12.515 6.561 -8.830 1.00 0.00 C ATOM 1119 CG TYR A 75 11.776 5.308 -9.330 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.087 4.731 -10.576 1.00 0.00 C ATOM 1121 CD2 TYR A 75 10.736 4.746 -8.562 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.377 3.617 -11.038 1.00 0.00 C ATOM 1123 CE2 TYR A 75 10.036 3.626 -9.034 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.358 3.070 -10.267 1.00 0.00 C ATOM 1125 OH TYR A 75 9.672 1.973 -10.723 1.00 0.00 O ATOM 0 H TYR A 75 14.403 4.451 -8.268 1.00 0.00 H new ATOM 0 HA TYR A 75 14.408 7.031 -9.730 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.213 6.765 -7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.206 7.418 -9.429 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.879 5.151 -11.179 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.477 5.179 -7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.621 3.181 -11.996 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.245 3.195 -8.438 1.00 0.00 H new ATOM 0 HH TYR A 75 10.148 1.583 -11.486 1.00 0.00 H new ATOM 1135 N MET A 76 15.470 6.190 -6.890 1.00 0.00 N ATOM 1136 CA MET A 76 16.108 6.727 -5.687 1.00 0.00 C ATOM 1137 C MET A 76 17.435 6.059 -5.375 1.00 0.00 C ATOM 1138 O MET A 76 17.588 4.856 -5.306 1.00 0.00 O ATOM 1139 CB MET A 76 15.122 6.627 -4.545 1.00 0.00 C ATOM 1140 CG MET A 76 15.160 5.256 -4.073 1.00 0.00 C ATOM 1141 SD MET A 76 13.507 4.698 -3.591 1.00 0.00 S ATOM 1142 CE MET A 76 13.967 3.030 -3.068 1.00 0.00 C ATOM 0 H MET A 76 15.671 5.213 -7.101 1.00 0.00 H new ATOM 0 HA MET A 76 16.364 7.773 -5.854 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.387 7.318 -3.745 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.119 6.893 -4.877 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.554 4.608 -4.856 1.00 0.00 H new ATOM 0 HG3 MET A 76 15.838 5.178 -3.223 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.067 2.431 -2.929 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.595 2.570 -3.831 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.517 3.082 -2.128 1.00 0.00 H new ATOM 1152 N LYS A 77 18.381 6.913 -5.232 1.00 0.00 N ATOM 1153 CA LYS A 77 19.784 6.558 -4.961 1.00 0.00 C ATOM 1154 C LYS A 77 19.945 5.177 -4.400 1.00 0.00 C ATOM 1155 O LYS A 77 19.859 4.906 -3.221 1.00 0.00 O ATOM 1156 CB LYS A 77 20.330 7.628 -4.013 1.00 0.00 C ATOM 1157 CG LYS A 77 19.344 7.854 -2.867 1.00 0.00 C ATOM 1158 CD LYS A 77 19.907 7.240 -1.589 1.00 0.00 C ATOM 1159 CE LYS A 77 20.446 8.352 -0.684 1.00 0.00 C ATOM 1160 NZ LYS A 77 21.912 8.387 -0.951 1.00 0.00 N ATOM 0 H LYS A 77 18.227 7.919 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 77 20.347 6.536 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.297 7.318 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.492 8.560 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.171 8.921 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 77 18.381 7.404 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.131 6.678 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.703 6.535 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.979 9.310 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.240 8.142 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.354 9.126 -0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.330 7.464 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.077 8.596 -1.956 1.00 0.00 H new ATOM 1174 N CYS A 78 20.203 4.334 -5.311 1.00 0.00 N ATOM 1175 CA CYS A 78 20.431 2.913 -5.054 1.00 0.00 C ATOM 1176 C CYS A 78 21.945 2.634 -5.070 1.00 0.00 C ATOM 1177 O CYS A 78 22.660 3.246 -5.838 1.00 0.00 O ATOM 1178 CB CYS A 78 19.761 2.311 -6.242 1.00 0.00 C ATOM 1179 SG CYS A 78 18.850 0.822 -5.777 1.00 0.00 S ATOM 0 H CYS A 78 20.271 4.585 -6.297 1.00 0.00 H new ATOM 0 HA CYS A 78 20.064 2.537 -4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 78 19.079 3.036 -6.687 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.505 2.066 -7.000 1.00 0.00 H new ATOM 1184 N PRO A 79 22.407 1.736 -4.235 1.00 0.00 N ATOM 1185 CA PRO A 79 21.539 0.990 -3.302 1.00 0.00 C ATOM 1186 C PRO A 79 21.216 1.796 -2.047 1.00 0.00 C ATOM 1187 O PRO A 79 21.781 2.838 -1.775 1.00 0.00 O ATOM 1188 CB PRO A 79 22.373 -0.231 -2.938 1.00 0.00 C ATOM 1189 CG PRO A 79 23.774 0.126 -3.195 1.00 0.00 C ATOM 1190 CD PRO A 79 23.809 1.342 -4.089 1.00 0.00 C ATOM 0 HA PRO A 79 20.575 0.748 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 79 22.228 -0.502 -1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 79 22.077 -1.094 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.289 0.332 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.295 -0.706 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.401 2.143 -3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 79 24.258 1.111 -5.055 1.00 0.00 H new ATOM 1198 N LEU A 80 20.286 1.295 -1.302 1.00 0.00 N ATOM 1199 CA LEU A 80 19.829 1.945 -0.051 1.00 0.00 C ATOM 1200 C LEU A 80 20.525 1.340 1.177 1.00 0.00 C ATOM 1201 O LEU A 80 20.591 0.128 1.357 1.00 0.00 O ATOM 1202 CB LEU A 80 18.328 1.652 -0.042 1.00 0.00 C ATOM 1203 CG LEU A 80 17.629 2.497 -1.113 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.581 2.896 -2.261 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.479 1.688 -1.699 1.00 0.00 C ATOM 0 H LEU A 80 19.802 0.423 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 80 20.058 3.010 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.154 0.593 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.910 1.874 0.940 1.00 0.00 H new ATOM 0 HG LEU A 80 17.276 3.412 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.038 3.493 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.410 3.479 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.968 1.997 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.972 2.277 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.868 0.773 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.773 1.434 -0.908 1.00 0.00 H new ATOM 1217 N VAL A 81 21.055 2.201 2.008 1.00 0.00 N ATOM 1218 CA VAL A 81 21.757 1.774 3.227 1.00 0.00 C ATOM 1219 C VAL A 81 20.937 2.040 4.477 1.00 0.00 C ATOM 1220 O VAL A 81 20.217 3.003 4.625 1.00 0.00 O ATOM 1221 CB VAL A 81 23.074 2.526 3.263 1.00 0.00 C ATOM 1222 CG1 VAL A 81 24.087 1.720 4.077 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.608 2.726 1.841 1.00 0.00 C ATOM 0 H VAL A 81 21.022 3.212 1.876 1.00 0.00 H new ATOM 0 HA VAL A 81 21.924 0.697 3.207 1.00 0.00 H new ATOM 0 HB VAL A 81 22.918 3.502 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 81 25.037 2.254 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.713 1.585 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.234 0.745 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.554 3.267 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.765 1.755 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.886 3.299 1.259 1.00 0.00 H new ATOM 1233 N LYS A 82 21.019 1.084 5.310 1.00 0.00 N ATOM 1234 CA LYS A 82 20.262 1.001 6.595 1.00 0.00 C ATOM 1235 C LYS A 82 20.180 2.280 7.399 1.00 0.00 C ATOM 1236 O LYS A 82 21.148 2.876 7.831 1.00 0.00 O ATOM 1237 CB LYS A 82 20.940 -0.120 7.363 1.00 0.00 C ATOM 1238 CG LYS A 82 20.091 -0.664 8.506 1.00 0.00 C ATOM 1239 CD LYS A 82 20.759 -0.470 9.760 1.00 0.00 C ATOM 1240 CE LYS A 82 20.522 0.944 10.070 1.00 0.00 C ATOM 1241 NZ LYS A 82 20.981 1.153 11.470 1.00 0.00 N ATOM 0 H LYS A 82 21.627 0.279 5.156 1.00 0.00 H new ATOM 0 HA LYS A 82 19.209 0.810 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.175 -0.932 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.887 0.243 7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.124 -0.162 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.897 -1.725 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.354 -1.122 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.824 -0.689 9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.069 1.589 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.466 1.192 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.833 2.147 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.439 0.537 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.992 0.922 11.542 1.00 0.00 H new ATOM 1255 N GLY A 83 18.959 2.651 7.593 1.00 0.00 N ATOM 1256 CA GLY A 83 18.579 3.844 8.372 1.00 0.00 C ATOM 1257 C GLY A 83 17.983 4.850 7.435 1.00 0.00 C ATOM 1258 O GLY A 83 17.318 5.790 7.824 1.00 0.00 O ATOM 0 H GLY A 83 18.159 2.141 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.862 3.577 9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.451 4.263 8.874 1.00 0.00 H new ATOM 1262 N GLN A 84 18.223 4.644 6.199 1.00 0.00 N ATOM 1263 CA GLN A 84 17.689 5.562 5.201 1.00 0.00 C ATOM 1264 C GLN A 84 16.221 5.384 5.015 1.00 0.00 C ATOM 1265 O GLN A 84 15.706 4.310 4.756 1.00 0.00 O ATOM 1266 CB GLN A 84 18.430 5.397 3.906 1.00 0.00 C ATOM 1267 CG GLN A 84 19.892 5.783 4.109 1.00 0.00 C ATOM 1268 CD GLN A 84 20.605 5.960 2.744 1.00 0.00 C ATOM 1269 OE1 GLN A 84 19.921 6.145 1.621 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 21.818 5.927 2.693 1.00 0.00 N flip ATOM 0 H GLN A 84 18.774 3.869 5.831 1.00 0.00 H new ATOM 0 HA GLN A 84 17.837 6.581 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.359 4.365 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.981 6.022 3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.953 6.709 4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.399 5.015 4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.361 5.786 3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.294 6.040 1.798 1.00 0.00 H new ATOM 1279 N GLN A 85 15.562 6.466 5.148 1.00 0.00 N ATOM 1280 CA GLN A 85 14.080 6.468 4.973 1.00 0.00 C ATOM 1281 C GLN A 85 13.790 6.095 3.535 1.00 0.00 C ATOM 1282 O GLN A 85 14.500 6.461 2.622 1.00 0.00 O ATOM 1283 CB GLN A 85 13.577 7.896 5.312 1.00 0.00 C ATOM 1284 CG GLN A 85 13.470 8.754 4.038 1.00 0.00 C ATOM 1285 CD GLN A 85 13.520 10.260 4.390 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.699 10.675 5.633 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 13.390 11.085 3.508 1.00 0.00 N flip ATOM 0 H GLN A 85 15.973 7.372 5.373 1.00 0.00 H new ATOM 0 HA GLN A 85 13.574 5.755 5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.604 7.838 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.259 8.369 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.285 8.507 3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.540 8.527 3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.251 10.783 2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.420 12.080 3.732 1.00 0.00 H new ATOM 1296 N TYR A 86 12.757 5.364 3.345 1.00 0.00 N ATOM 1297 CA TYR A 86 12.384 4.923 1.998 1.00 0.00 C ATOM 1298 C TYR A 86 10.881 4.928 1.906 1.00 0.00 C ATOM 1299 O TYR A 86 10.181 4.357 2.721 1.00 0.00 O ATOM 1300 CB TYR A 86 12.952 3.515 1.868 1.00 0.00 C ATOM 1301 CG TYR A 86 14.450 3.654 1.782 1.00 0.00 C ATOM 1302 CD1 TYR A 86 14.992 4.631 0.939 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.300 2.849 2.546 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.359 4.804 0.856 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.676 3.023 2.455 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.210 4.000 1.611 1.00 0.00 C ATOM 1307 OH TYR A 86 18.576 4.166 1.527 1.00 0.00 O ATOM 0 H TYR A 86 12.135 5.043 4.087 1.00 0.00 H new ATOM 0 HA TYR A 86 12.766 5.562 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.669 2.904 2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.558 3.020 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.336 5.254 0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.890 2.096 3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.769 5.563 0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.336 2.400 3.040 1.00 0.00 H new ATOM 0 HH TYR A 86 18.780 5.104 1.330 1.00 0.00 H new ATOM 1317 N ASP A 87 10.390 5.600 0.934 1.00 0.00 N ATOM 1318 CA ASP A 87 8.924 5.692 0.777 1.00 0.00 C ATOM 1319 C ASP A 87 8.506 5.056 -0.526 1.00 0.00 C ATOM 1320 O ASP A 87 9.062 5.293 -1.581 1.00 0.00 O ATOM 1321 CB ASP A 87 8.577 7.192 0.791 1.00 0.00 C ATOM 1322 CG ASP A 87 9.623 7.972 -0.010 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.755 8.039 0.439 1.00 0.00 O ATOM 1324 OD2 ASP A 87 9.271 8.494 -1.055 1.00 0.00 O ATOM 0 H ASP A 87 10.937 6.097 0.231 1.00 0.00 H new ATOM 0 HA ASP A 87 8.400 5.168 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.586 7.350 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.544 7.558 1.817 1.00 0.00 H new ATOM 1329 N ILE A 88 7.513 4.246 -0.432 1.00 0.00 N ATOM 1330 CA ILE A 88 6.988 3.546 -1.629 1.00 0.00 C ATOM 1331 C ILE A 88 5.615 4.115 -1.949 1.00 0.00 C ATOM 1332 O ILE A 88 4.990 4.770 -1.139 1.00 0.00 O ATOM 1333 CB ILE A 88 6.923 2.060 -1.251 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.880 1.202 -2.480 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.699 1.780 -0.376 1.00 0.00 C ATOM 1336 CD1 ILE A 88 8.273 0.624 -2.780 1.00 0.00 C ATOM 0 H ILE A 88 7.027 4.029 0.438 1.00 0.00 H new ATOM 0 HA ILE A 88 7.610 3.674 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 88 7.822 1.816 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.165 0.391 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.533 1.790 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.670 0.721 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.760 2.374 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.793 2.045 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.225 0.004 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.978 1.439 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.605 0.019 -1.937 1.00 0.00 H new ATOM 1348 N LYS A 89 5.172 3.917 -3.144 1.00 0.00 N ATOM 1349 CA LYS A 89 3.863 4.499 -3.547 1.00 0.00 C ATOM 1350 C LYS A 89 3.116 3.648 -4.564 1.00 0.00 C ATOM 1351 O LYS A 89 3.680 2.819 -5.248 1.00 0.00 O ATOM 1352 CB LYS A 89 4.243 5.837 -4.164 1.00 0.00 C ATOM 1353 CG LYS A 89 3.795 6.965 -3.240 1.00 0.00 C ATOM 1354 CD LYS A 89 3.658 8.263 -4.039 1.00 0.00 C ATOM 1355 CE LYS A 89 4.355 9.401 -3.289 1.00 0.00 C ATOM 1356 NZ LYS A 89 3.254 10.298 -2.842 1.00 0.00 N ATOM 0 H LYS A 89 5.653 3.379 -3.865 1.00 0.00 H new ATOM 0 HA LYS A 89 3.186 4.574 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.321 5.886 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.775 5.945 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.842 6.711 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.518 7.097 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.099 8.142 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.605 8.502 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.926 9.023 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.056 9.929 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.555 10.821 -1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.024 10.971 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.413 9.729 -2.617 1.00 0.00 H new ATOM 1370 N TYR A 90 1.834 3.881 -4.672 1.00 0.00 N ATOM 1371 CA TYR A 90 1.014 3.118 -5.658 1.00 0.00 C ATOM 1372 C TYR A 90 -0.176 3.956 -6.130 1.00 0.00 C ATOM 1373 O TYR A 90 -1.136 4.133 -5.388 1.00 0.00 O ATOM 1374 CB TYR A 90 0.501 1.888 -4.923 1.00 0.00 C ATOM 1375 CG TYR A 90 -0.402 1.114 -5.874 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -1.739 1.508 -6.080 1.00 0.00 C ATOM 1377 CD2 TYR A 90 0.106 0.019 -6.586 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -2.544 0.803 -6.986 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -0.704 -0.675 -7.490 1.00 0.00 C ATOM 1380 CZ TYR A 90 -2.027 -0.281 -7.689 1.00 0.00 C ATOM 1381 OH TYR A 90 -2.830 -0.966 -8.575 1.00 0.00 O ATOM 0 H TYR A 90 1.320 4.567 -4.120 1.00 0.00 H new ATOM 0 HA TYR A 90 1.607 2.855 -6.534 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.333 1.265 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.049 2.180 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.143 2.352 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.130 -0.291 -6.435 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.570 1.103 -7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.305 -1.517 -8.035 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.791 -0.534 -9.454 1.00 0.00 H new ATOM 1391 N THR A 91 -0.138 4.470 -7.326 1.00 0.00 N ATOM 1392 CA THR A 91 -1.281 5.274 -7.850 1.00 0.00 C ATOM 1393 C THR A 91 -1.744 4.596 -9.126 1.00 0.00 C ATOM 1394 O THR A 91 -1.038 4.534 -10.114 1.00 0.00 O ATOM 1395 CB THR A 91 -0.715 6.678 -8.118 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.613 7.392 -8.957 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.640 6.556 -8.812 1.00 0.00 C ATOM 0 H THR A 91 0.645 4.367 -7.972 1.00 0.00 H new ATOM 0 HA THR A 91 -2.130 5.348 -7.170 1.00 0.00 H new ATOM 0 HB THR A 91 -0.593 7.210 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.257 8.289 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.042 7.551 -9.002 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.328 6.003 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.518 6.027 -9.757 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.907 4.033 -9.081 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.418 3.282 -10.259 1.00 0.00 C ATOM 1407 C TRP A 92 -4.927 3.514 -10.430 1.00 0.00 C ATOM 1408 O TRP A 92 -5.688 3.155 -9.554 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.171 1.850 -9.858 1.00 0.00 C ATOM 1410 CG TRP A 92 -2.801 1.044 -11.061 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.570 1.004 -11.620 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.638 0.159 -11.850 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.611 0.176 -12.732 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -2.865 -0.377 -12.906 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -4.985 -0.220 -11.753 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.415 -1.258 -13.839 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.543 -1.108 -12.685 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -4.759 -1.627 -13.728 1.00 0.00 C ATOM 0 H TRP A 92 -3.534 4.057 -8.277 1.00 0.00 H new ATOM 0 HA TRP A 92 -2.947 3.574 -11.198 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.372 1.803 -9.118 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.064 1.434 -9.391 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.698 1.530 -11.260 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.815 -0.002 -13.344 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.597 0.174 -10.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.807 -1.651 -14.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.581 -1.394 -12.600 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.193 -2.310 -14.443 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.412 4.107 -11.499 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.881 4.306 -11.563 1.00 0.00 C ATOM 1431 C ASN A 93 -7.579 2.961 -11.882 1.00 0.00 C ATOM 1432 O ASN A 93 -6.959 2.025 -12.347 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.095 5.316 -12.697 1.00 0.00 C ATOM 1434 CG ASN A 93 -7.026 4.602 -14.054 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -7.980 3.777 -14.402 1.00 0.00 O flip ATOM 1436 ND2 ASN A 93 -6.092 4.797 -14.807 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.873 4.447 -12.295 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.298 4.665 -10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.063 5.805 -12.582 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.336 6.097 -12.648 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.346 5.439 -14.539 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.054 4.318 -15.707 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.856 2.865 -11.620 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.619 1.610 -11.873 1.00 0.00 C ATOM 1445 C VAL A 94 -11.083 1.988 -12.161 1.00 0.00 C ATOM 1446 O VAL A 94 -11.509 3.128 -11.873 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.450 0.774 -10.579 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -10.782 0.531 -9.838 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -8.847 -0.583 -10.943 1.00 0.00 C ATOM 0 H VAL A 94 -9.415 3.625 -11.231 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.272 1.034 -12.731 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.801 1.342 -9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.597 -0.060 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.222 1.488 -9.558 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.469 -0.007 -10.491 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.723 -1.180 -10.040 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.511 -1.103 -11.634 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.876 -0.435 -11.416 1.00 0.00 H new ATOM 1459 N PRO A 95 -11.837 1.036 -12.689 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.228 1.302 -13.050 1.00 0.00 C ATOM 1461 C PRO A 95 -13.873 2.197 -12.033 1.00 0.00 C ATOM 1462 O PRO A 95 -13.409 2.337 -10.913 1.00 0.00 O ATOM 1463 CB PRO A 95 -13.833 -0.095 -13.181 1.00 0.00 C ATOM 1464 CG PRO A 95 -12.858 -0.958 -12.468 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.552 -0.375 -12.910 1.00 0.00 C ATOM 0 HA PRO A 95 -13.367 1.855 -13.979 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.823 -0.148 -12.729 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.943 -0.389 -14.225 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.983 -0.908 -11.386 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.955 -2.006 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.711 -0.731 -12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.324 -0.599 -13.952 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.862 2.914 -12.431 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.380 3.879 -11.490 1.00 0.00 C ATOM 1475 C LYS A 96 -16.302 3.299 -10.425 1.00 0.00 C ATOM 1476 O LYS A 96 -16.429 3.821 -9.335 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.022 4.893 -12.295 1.00 0.00 C ATOM 1478 CG LYS A 96 -14.854 5.702 -12.788 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.045 4.885 -13.780 1.00 0.00 C ATOM 1480 CE LYS A 96 -13.381 5.807 -14.805 1.00 0.00 C ATOM 1481 NZ LYS A 96 -12.377 4.952 -15.498 1.00 0.00 N ATOM 0 H LYS A 96 -15.317 2.870 -13.343 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.567 4.288 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.591 4.459 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.716 5.497 -11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.208 6.618 -13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.225 5.999 -11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.285 4.308 -13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.693 4.171 -14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.112 6.207 -15.508 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.906 6.660 -14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.879 5.515 -16.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.691 4.591 -14.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.859 4.153 -15.956 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.962 2.236 -10.752 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.909 1.610 -9.795 1.00 0.00 C ATOM 1497 C ILE A 97 -17.905 0.071 -9.881 1.00 0.00 C ATOM 1498 O ILE A 97 -18.938 -0.568 -9.843 1.00 0.00 O ATOM 1499 CB ILE A 97 -19.237 2.202 -10.147 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.858 2.490 -8.846 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -20.105 1.309 -11.049 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -21.387 2.428 -8.889 1.00 0.00 C ATOM 0 H ILE A 97 -16.888 1.764 -11.653 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.635 1.810 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 97 -19.123 3.097 -10.759 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.491 1.777 -8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.549 3.481 -8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -21.050 1.811 -11.257 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.581 1.119 -11.986 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -20.300 0.363 -10.544 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.788 2.649 -7.900 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.761 3.160 -9.604 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.702 1.430 -9.193 1.00 0.00 H new ATOM 1514 N ALA A 98 -16.749 -0.537 -9.979 1.00 0.00 N ATOM 1515 CA ALA A 98 -16.693 -2.023 -10.055 1.00 0.00 C ATOM 1516 C ALA A 98 -16.925 -2.624 -8.669 1.00 0.00 C ATOM 1517 O ALA A 98 -17.909 -3.299 -8.444 1.00 0.00 O ATOM 1518 CB ALA A 98 -15.292 -2.369 -10.572 1.00 0.00 C ATOM 0 H ALA A 98 -15.845 -0.066 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 98 -17.462 -2.425 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -15.190 -3.451 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -15.145 -1.919 -11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.543 -1.982 -9.881 1.00 0.00 H new ATOM 1524 N PRO A 99 -16.009 -2.347 -7.776 1.00 0.00 N ATOM 1525 CA PRO A 99 -16.116 -2.859 -6.390 1.00 0.00 C ATOM 1526 C PRO A 99 -17.266 -2.253 -5.719 1.00 0.00 C ATOM 1527 O PRO A 99 -17.906 -1.334 -6.190 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.767 -2.523 -5.759 1.00 0.00 C ATOM 1529 CG PRO A 99 -14.269 -1.361 -6.561 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.799 -1.539 -7.962 1.00 0.00 C ATOM 0 HA PRO A 99 -16.302 -3.931 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.873 -2.264 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.080 -3.368 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.615 -0.420 -6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.179 -1.330 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -15.025 -0.581 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -14.076 -2.043 -8.603 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.654 -2.929 -4.707 1.00 0.00 N ATOM 1539 CA LYS A 100 -18.897 -2.585 -4.091 1.00 0.00 C ATOM 1540 C LYS A 100 -18.643 -1.936 -2.746 1.00 0.00 C ATOM 1541 O LYS A 100 -18.286 -2.614 -1.809 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.628 -3.932 -3.960 1.00 0.00 C ATOM 1543 CG LYS A 100 -19.084 -4.964 -4.945 1.00 0.00 C ATOM 1544 CD LYS A 100 -18.991 -4.305 -6.316 1.00 0.00 C ATOM 1545 CE LYS A 100 -20.169 -4.797 -7.112 1.00 0.00 C ATOM 1546 NZ LYS A 100 -19.622 -5.245 -8.423 1.00 0.00 N ATOM 0 H LYS A 100 -17.150 -3.709 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.486 -1.864 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.521 -4.307 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.694 -3.787 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.104 -5.316 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.738 -5.835 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.011 -3.219 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.054 -4.567 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.672 -5.617 -6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.906 -4.006 -7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.384 -5.259 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.876 -4.589 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.224 -6.201 -8.325 1.00 0.00 H new ATOM 1560 N SER A 101 -18.802 -0.640 -2.625 1.00 0.00 N ATOM 1561 CA SER A 101 -18.533 -0.022 -1.279 1.00 0.00 C ATOM 1562 C SER A 101 -19.205 -0.864 -0.234 1.00 0.00 C ATOM 1563 O SER A 101 -20.389 -0.799 0.014 1.00 0.00 O ATOM 1564 CB SER A 101 -19.057 1.412 -1.284 1.00 0.00 C ATOM 1565 OG SER A 101 -20.336 1.453 -1.904 1.00 0.00 O ATOM 0 H SER A 101 -19.094 -0.001 -3.364 1.00 0.00 H new ATOM 0 HA SER A 101 -17.466 0.014 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.125 1.788 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.363 2.061 -1.817 1.00 0.00 H new ATOM 0 HG SER A 101 -20.903 0.745 -1.532 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.406 -1.682 0.346 1.00 0.00 N ATOM 1572 CA GLU A 102 -18.896 -2.619 1.403 1.00 0.00 C ATOM 1573 C GLU A 102 -17.808 -3.179 2.178 1.00 0.00 C ATOM 1574 O GLU A 102 -17.909 -3.456 3.358 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.370 -3.942 0.764 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.538 -3.694 -0.194 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.837 -4.969 -0.985 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -19.924 -5.758 -1.164 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -21.973 -5.136 -1.396 1.00 0.00 O ATOM 0 H GLU A 102 -17.410 -1.755 0.140 1.00 0.00 H new ATOM 0 HA GLU A 102 -19.628 -2.034 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.544 -4.407 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.675 -4.639 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.421 -3.387 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.294 -2.880 -0.877 1.00 0.00 H new ATOM 1586 N ASN A 103 -16.907 -3.686 1.414 1.00 0.00 N ATOM 1587 CA ASN A 103 -16.017 -4.594 2.051 1.00 0.00 C ATOM 1588 C ASN A 103 -14.715 -4.797 1.314 1.00 0.00 C ATOM 1589 O ASN A 103 -14.496 -5.796 0.668 1.00 0.00 O ATOM 1590 CB ASN A 103 -16.983 -5.748 1.900 1.00 0.00 C ATOM 1591 CG ASN A 103 -16.340 -7.057 2.359 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -15.180 -7.040 2.975 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.899 -8.116 2.159 1.00 0.00 N flip ATOM 0 H ASN A 103 -16.767 -3.508 0.419 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.633 -4.347 3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.882 -5.554 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.293 -5.835 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.800 -8.135 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.468 -8.987 2.469 1.00 0.00 H new ATOM 1600 N VAL A 104 -13.842 -3.872 1.448 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.513 -4.007 0.787 1.00 0.00 C ATOM 1602 C VAL A 104 -11.393 -3.450 1.687 1.00 0.00 C ATOM 1603 O VAL A 104 -11.534 -2.408 2.297 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.576 -3.225 -0.514 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.302 -3.442 -1.328 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -13.835 -3.542 -1.354 1.00 0.00 C ATOM 0 H VAL A 104 -13.976 -3.016 1.987 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.289 -5.057 0.601 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.651 -2.171 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.363 -2.875 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.440 -3.104 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.192 -4.502 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.820 -2.951 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.847 -4.602 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.728 -3.296 -0.779 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.279 -4.141 1.763 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.137 -3.681 2.596 1.00 0.00 C ATOM 1618 C VAL A 105 -7.846 -4.118 1.913 1.00 0.00 C ATOM 1619 O VAL A 105 -7.713 -5.232 1.452 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.322 -4.378 3.945 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -8.308 -3.834 4.947 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -10.735 -4.106 4.467 1.00 0.00 C ATOM 0 H VAL A 105 -10.117 -5.020 1.271 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.093 -2.600 2.726 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.173 -5.450 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.442 -4.332 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.298 -4.019 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.458 -2.761 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.869 -4.602 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.877 -3.032 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.466 -4.490 3.755 1.00 0.00 H new ATOM 1632 N VAL A 106 -6.912 -3.225 1.824 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.630 -3.558 1.135 1.00 0.00 C ATOM 1634 C VAL A 106 -4.477 -3.737 2.089 1.00 0.00 C ATOM 1635 O VAL A 106 -4.356 -3.085 3.100 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.383 -2.417 0.154 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -4.485 -1.333 0.771 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -4.714 -3.010 -1.084 1.00 0.00 C ATOM 0 H VAL A 106 -6.973 -2.277 2.196 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.707 -4.519 0.626 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.330 -1.942 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.328 -0.534 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.965 -0.926 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.524 -1.769 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.523 -2.218 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.771 -3.477 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.370 -3.758 -1.529 1.00 0.00 H new ATOM 1648 N THR A 107 -3.615 -4.613 1.717 1.00 0.00 N ATOM 1649 CA THR A 107 -2.395 -4.899 2.514 1.00 0.00 C ATOM 1650 C THR A 107 -1.235 -4.907 1.535 1.00 0.00 C ATOM 1651 O THR A 107 -1.150 -5.785 0.691 1.00 0.00 O ATOM 1652 CB THR A 107 -2.610 -6.261 3.091 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.001 -6.506 3.249 1.00 0.00 O ATOM 1654 CG2 THR A 107 -1.901 -6.325 4.444 1.00 0.00 C ATOM 0 H THR A 107 -3.700 -5.167 0.865 1.00 0.00 H new ATOM 0 HA THR A 107 -2.195 -4.178 3.306 1.00 0.00 H new ATOM 0 HB THR A 107 -2.205 -7.022 2.425 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.135 -7.401 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.045 -7.312 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.836 -6.141 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.316 -5.567 5.109 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.363 -3.945 1.560 1.00 0.00 N ATOM 1663 CA VAL A 108 0.727 -3.968 0.546 1.00 0.00 C ATOM 1664 C VAL A 108 2.070 -3.854 1.257 1.00 0.00 C ATOM 1665 O VAL A 108 2.213 -3.215 2.273 1.00 0.00 O ATOM 1666 CB VAL A 108 0.432 -2.786 -0.417 1.00 0.00 C ATOM 1667 CG1 VAL A 108 1.214 -2.893 -1.726 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.083 -2.671 -0.713 1.00 0.00 C ATOM 0 H VAL A 108 -0.352 -3.164 2.216 1.00 0.00 H new ATOM 0 HA VAL A 108 0.771 -4.894 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 108 0.763 -1.882 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.973 -2.043 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.283 -2.894 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.945 -3.818 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.259 -1.835 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.434 -3.593 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.624 -2.504 0.218 1.00 0.00 H new ATOM 1678 N LYS A 109 3.042 -4.526 0.718 1.00 0.00 N ATOM 1679 CA LYS A 109 4.398 -4.535 1.341 1.00 0.00 C ATOM 1680 C LYS A 109 5.493 -4.371 0.299 1.00 0.00 C ATOM 1681 O LYS A 109 5.436 -4.909 -0.788 1.00 0.00 O ATOM 1682 CB LYS A 109 4.515 -5.874 2.017 1.00 0.00 C ATOM 1683 CG LYS A 109 5.926 -6.176 2.322 1.00 0.00 C ATOM 1684 CD LYS A 109 6.600 -6.843 1.122 1.00 0.00 C ATOM 1685 CE LYS A 109 7.695 -7.787 1.615 1.00 0.00 C ATOM 1686 NZ LYS A 109 7.563 -9.007 0.770 1.00 0.00 N ATOM 0 H LYS A 109 2.959 -5.077 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 109 4.516 -3.706 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.929 -5.876 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.101 -6.650 1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.454 -5.258 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.985 -6.832 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.864 -7.396 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.026 -6.086 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.682 -7.337 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.566 -8.023 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 8.481 -9.493 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.857 -9.645 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.259 -8.735 -0.187 1.00 0.00 H new ATOM 1700 N VAL A 110 6.502 -3.666 0.661 1.00 0.00 N ATOM 1701 CA VAL A 110 7.661 -3.462 -0.220 1.00 0.00 C ATOM 1702 C VAL A 110 8.720 -4.510 0.188 1.00 0.00 C ATOM 1703 O VAL A 110 9.006 -4.667 1.372 1.00 0.00 O ATOM 1704 CB VAL A 110 8.131 -2.044 0.078 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.562 -1.834 -0.438 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.183 -1.046 -0.596 1.00 0.00 C ATOM 0 H VAL A 110 6.576 -3.203 1.567 1.00 0.00 H new ATOM 0 HA VAL A 110 7.454 -3.576 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 110 8.126 -1.885 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.883 -0.816 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.233 -2.540 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.588 -1.997 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.515 -0.029 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.185 -1.213 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.173 -1.185 -0.209 1.00 0.00 H new ATOM 1716 N MET A 111 9.274 -5.232 -0.779 1.00 0.00 N ATOM 1717 CA MET A 111 10.298 -6.303 -0.493 1.00 0.00 C ATOM 1718 C MET A 111 11.640 -5.828 -1.017 1.00 0.00 C ATOM 1719 O MET A 111 11.787 -5.493 -2.174 1.00 0.00 O ATOM 1720 CB MET A 111 9.764 -7.511 -1.256 1.00 0.00 C ATOM 1721 CG MET A 111 10.845 -8.576 -1.469 1.00 0.00 C ATOM 1722 SD MET A 111 10.696 -9.277 -3.130 1.00 0.00 S ATOM 1723 CE MET A 111 10.389 -10.986 -2.627 1.00 0.00 C ATOM 0 H MET A 111 9.053 -5.118 -1.768 1.00 0.00 H new ATOM 0 HA MET A 111 10.445 -6.538 0.561 1.00 0.00 H new ATOM 0 HB2 MET A 111 8.929 -7.946 -0.708 1.00 0.00 H new ATOM 0 HB3 MET A 111 9.377 -7.188 -2.223 1.00 0.00 H new ATOM 0 HG2 MET A 111 11.833 -8.135 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 111 10.745 -9.363 -0.722 1.00 0.00 H new ATOM 0 HE1 MET A 111 10.264 -11.609 -3.513 1.00 0.00 H new ATOM 0 HE2 MET A 111 11.234 -11.351 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 111 9.484 -11.030 -2.022 1.00 0.00 H new ATOM 1733 N GLY A 112 12.592 -5.704 -0.154 1.00 0.00 N ATOM 1734 CA GLY A 112 13.909 -5.130 -0.586 1.00 0.00 C ATOM 1735 C GLY A 112 14.866 -6.127 -1.278 1.00 0.00 C ATOM 1736 O GLY A 112 14.487 -6.922 -2.115 1.00 0.00 O ATOM 0 H GLY A 112 12.530 -5.969 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.720 -4.300 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.411 -4.716 0.288 1.00 0.00 H new ATOM 1740 N ASP A 113 16.133 -5.997 -0.950 1.00 0.00 N ATOM 1741 CA ASP A 113 17.232 -6.811 -1.569 1.00 0.00 C ATOM 1742 C ASP A 113 17.379 -8.170 -0.934 1.00 0.00 C ATOM 1743 O ASP A 113 18.135 -9.012 -1.373 1.00 0.00 O ATOM 1744 CB ASP A 113 18.486 -5.982 -1.308 1.00 0.00 C ATOM 1745 CG ASP A 113 18.944 -6.169 0.142 1.00 0.00 C ATOM 1746 OD1 ASP A 113 18.093 -6.165 1.017 1.00 0.00 O ATOM 1747 OD2 ASP A 113 20.137 -6.315 0.352 1.00 0.00 O ATOM 0 H ASP A 113 16.462 -5.332 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 113 17.035 -7.004 -2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 113 19.280 -6.284 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.283 -4.929 -1.501 1.00 0.00 H new ATOM 1752 N ASP A 114 16.663 -8.374 0.085 1.00 0.00 N ATOM 1753 CA ASP A 114 16.723 -9.647 0.778 1.00 0.00 C ATOM 1754 C ASP A 114 15.325 -10.210 0.968 1.00 0.00 C ATOM 1755 O ASP A 114 15.140 -11.326 1.412 1.00 0.00 O ATOM 1756 CB ASP A 114 17.427 -9.393 2.101 1.00 0.00 C ATOM 1757 CG ASP A 114 16.873 -8.124 2.750 1.00 0.00 C ATOM 1758 OD1 ASP A 114 15.664 -7.956 2.743 1.00 0.00 O ATOM 1759 OD2 ASP A 114 17.667 -7.339 3.242 1.00 0.00 O ATOM 0 H ASP A 114 16.016 -7.694 0.485 1.00 0.00 H new ATOM 0 HA ASP A 114 17.274 -10.393 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.286 -10.244 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.500 -9.290 1.938 1.00 0.00 H new ATOM 1764 N GLY A 115 14.341 -9.453 0.599 1.00 0.00 N ATOM 1765 CA GLY A 115 12.967 -9.907 0.701 1.00 0.00 C ATOM 1766 C GLY A 115 12.360 -9.461 1.965 1.00 0.00 C ATOM 1767 O GLY A 115 12.257 -10.148 2.960 1.00 0.00 O ATOM 0 H GLY A 115 14.451 -8.512 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.389 -9.523 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.934 -10.995 0.641 1.00 0.00 H new ATOM 1771 N VAL A 116 11.913 -8.304 1.802 1.00 0.00 N ATOM 1772 CA VAL A 116 11.151 -7.521 2.841 1.00 0.00 C ATOM 1773 C VAL A 116 11.596 -6.057 2.913 1.00 0.00 C ATOM 1774 O VAL A 116 12.718 -5.714 2.598 1.00 0.00 O ATOM 1775 CB VAL A 116 11.371 -8.178 4.190 1.00 0.00 C ATOM 1776 CG1 VAL A 116 12.867 -8.191 4.497 1.00 0.00 C ATOM 1777 CG2 VAL A 116 10.622 -7.368 5.246 1.00 0.00 C ATOM 0 H VAL A 116 12.035 -7.791 0.929 1.00 0.00 H new ATOM 0 HA VAL A 116 10.097 -7.525 2.564 1.00 0.00 H new ATOM 0 HB VAL A 116 11.002 -9.203 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 116 13.036 -8.662 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 116 13.392 -8.753 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.243 -7.168 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 116 10.767 -7.824 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 116 11.005 -6.347 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.559 -7.353 5.007 1.00 0.00 H new ATOM 1787 N LEU A 117 10.707 -5.198 3.346 1.00 0.00 N ATOM 1788 CA LEU A 117 11.038 -3.751 3.469 1.00 0.00 C ATOM 1789 C LEU A 117 10.051 -3.062 4.405 1.00 0.00 C ATOM 1790 O LEU A 117 10.424 -2.516 5.424 1.00 0.00 O ATOM 1791 CB LEU A 117 10.966 -3.200 2.059 1.00 0.00 C ATOM 1792 CG LEU A 117 11.977 -2.062 1.895 1.00 0.00 C ATOM 1793 CD1 LEU A 117 11.764 -1.013 2.989 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.399 -2.620 1.998 1.00 0.00 C ATOM 0 H LEU A 117 9.756 -5.444 3.622 1.00 0.00 H new ATOM 0 HA LEU A 117 12.026 -3.583 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.175 -3.991 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 117 9.959 -2.837 1.851 1.00 0.00 H new ATOM 0 HG LEU A 117 11.835 -1.598 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.487 -0.207 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.754 -0.610 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.899 -1.475 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.118 -1.809 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.536 -3.089 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.557 -3.360 1.214 1.00 0.00 H new ATOM 1806 N ALA A 118 8.795 -3.090 4.078 1.00 0.00 N ATOM 1807 CA ALA A 118 7.780 -2.433 4.979 1.00 0.00 C ATOM 1808 C ALA A 118 6.395 -2.793 4.506 1.00 0.00 C ATOM 1809 O ALA A 118 6.084 -2.681 3.352 1.00 0.00 O ATOM 1810 CB ALA A 118 8.036 -0.931 4.848 1.00 0.00 C ATOM 0 H ALA A 118 8.417 -3.530 3.239 1.00 0.00 H new ATOM 0 HA ALA A 118 7.862 -2.753 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.333 -0.386 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.055 -0.707 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.903 -0.628 3.809 1.00 0.00 H new ATOM 1816 N CYS A 119 5.555 -3.237 5.363 1.00 0.00 N ATOM 1817 CA CYS A 119 4.195 -3.631 4.869 1.00 0.00 C ATOM 1818 C CYS A 119 3.086 -3.074 5.725 1.00 0.00 C ATOM 1819 O CYS A 119 3.099 -3.144 6.938 1.00 0.00 O ATOM 1820 CB CYS A 119 4.177 -5.154 4.823 1.00 0.00 C ATOM 1821 SG CYS A 119 3.640 -5.853 6.379 1.00 0.00 S ATOM 0 H CYS A 119 5.723 -3.351 6.363 1.00 0.00 H new ATOM 0 HA CYS A 119 4.013 -3.212 3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.513 -5.487 4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 119 5.174 -5.523 4.582 1.00 0.00 H new ATOM 1826 N ALA A 120 2.130 -2.495 5.070 1.00 0.00 N ATOM 1827 CA ALA A 120 0.996 -1.887 5.809 1.00 0.00 C ATOM 1828 C ALA A 120 -0.327 -2.075 5.074 1.00 0.00 C ATOM 1829 O ALA A 120 -0.435 -1.985 3.857 1.00 0.00 O ATOM 1830 CB ALA A 120 1.345 -0.397 5.928 1.00 0.00 C ATOM 0 H ALA A 120 2.082 -2.415 4.054 1.00 0.00 H new ATOM 0 HA ALA A 120 0.862 -2.359 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.550 0.121 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.283 -0.285 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.450 0.033 4.932 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.316 -2.386 5.847 1.00 0.00 N ATOM 1837 CA ILE A 121 -2.679 -2.638 5.341 1.00 0.00 C ATOM 1838 C ILE A 121 -3.660 -1.528 5.772 1.00 0.00 C ATOM 1839 O ILE A 121 -3.706 -1.150 6.926 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.011 -3.933 5.996 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.139 -4.559 5.380 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.244 -3.773 7.481 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.410 -3.747 5.613 1.00 0.00 C ATOM 0 H ILE A 121 -1.228 -2.480 6.859 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.745 -2.659 4.253 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.144 -4.580 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.962 -4.664 4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.266 -5.564 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.483 -4.742 7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.344 -3.376 7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.073 -3.085 7.647 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.253 -4.245 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.598 -3.664 6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.288 -2.751 5.188 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.450 -1.010 4.860 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.426 0.058 5.214 1.00 0.00 C ATOM 1857 C ALA A 122 -6.820 -0.317 4.635 1.00 0.00 C ATOM 1858 O ALA A 122 -6.973 -1.365 4.027 1.00 0.00 O ATOM 1859 CB ALA A 122 -4.875 1.307 4.525 1.00 0.00 C ATOM 0 H ALA A 122 -4.456 -1.287 3.878 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.547 0.201 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.530 2.154 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.876 1.522 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -4.825 1.137 3.449 1.00 0.00 H new