USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 68 THR OG1 : rot 180:sc=-0.00926 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 1 MET CE :methyl -143:sc= -0.358 (180deg=-1.97!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -66:sc= 0.238 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 104:sc= 1.16 USER MOD Single : A 16 CYS SG : rot 94:sc= -1 USER MOD Single : A 22 SER OG : rot 180:sc= -0.54 USER MOD Single : A 39 TYR OH : rot 171:sc= -0.5 USER MOD Single : A 41 SER OG : rot 43:sc= 1.2 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.594 F(o=-1.8,f=-0.59) USER MOD Single : A 47 THR OG1 : rot 85:sc= 1.04 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.19) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 98:sc= 1.17 USER MOD Single : A 78 ASN : amide:sc= -9.86! C(o=-9.9!,f=-11!) USER MOD Single : A 80 SER OG : rot 100:sc= -3.05! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -1.08 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 63.340 14.995 6.168 1.00 0.00 N ATOM 2 CA MET A 1 62.885 13.828 5.362 1.00 0.00 C ATOM 3 C MET A 1 63.576 13.848 4.002 1.00 0.00 C ATOM 4 O MET A 1 63.397 14.775 3.213 1.00 0.00 O ATOM 5 CB MET A 1 61.369 13.901 5.165 1.00 0.00 C ATOM 6 CG MET A 1 60.803 12.488 5.023 1.00 0.00 C ATOM 7 SD MET A 1 59.104 12.452 5.649 1.00 0.00 S ATOM 8 CE MET A 1 59.490 12.826 7.376 1.00 0.00 C ATOM 0 H1 MET A 1 62.869 14.981 7.095 1.00 0.00 H new ATOM 0 H2 MET A 1 64.370 14.944 6.302 1.00 0.00 H new ATOM 0 H3 MET A 1 63.099 15.876 5.670 1.00 0.00 H new ATOM 0 HA MET A 1 63.138 12.906 5.885 1.00 0.00 H new ATOM 0 HB2 MET A 1 60.906 14.406 6.013 1.00 0.00 H new ATOM 0 HB3 MET A 1 61.135 14.489 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 1 60.823 12.180 3.978 1.00 0.00 H new ATOM 0 HG3 MET A 1 61.421 11.780 5.576 1.00 0.00 H new ATOM 0 HE1 MET A 1 58.826 12.259 8.028 1.00 0.00 H new ATOM 0 HE2 MET A 1 60.524 12.553 7.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 59.353 13.892 7.557 1.00 0.00 H new ATOM 20 N THR A 2 64.369 12.813 3.739 1.00 0.00 N ATOM 21 CA THR A 2 65.087 12.719 2.471 1.00 0.00 C ATOM 22 C THR A 2 64.913 11.332 1.861 1.00 0.00 C ATOM 23 O THR A 2 64.333 10.436 2.475 1.00 0.00 O ATOM 24 CB THR A 2 66.579 12.988 2.678 1.00 0.00 C ATOM 25 OG1 THR A 2 67.015 12.339 3.863 1.00 0.00 O ATOM 26 CG2 THR A 2 66.815 14.495 2.803 1.00 0.00 C ATOM 0 H THR A 2 64.530 12.035 4.379 1.00 0.00 H new ATOM 0 HA THR A 2 64.674 13.468 1.795 1.00 0.00 H new ATOM 0 HB THR A 2 67.140 12.604 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 2 67.971 12.509 3.996 1.00 0.00 H new ATOM 0 HG21 THR A 2 67.878 14.686 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 2 66.480 14.992 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 2 66.255 14.881 3.655 1.00 0.00 H new ATOM 34 N LEU A 3 65.426 11.164 0.646 1.00 0.00 N ATOM 35 CA LEU A 3 65.325 9.882 -0.044 1.00 0.00 C ATOM 36 C LEU A 3 66.644 9.114 0.075 1.00 0.00 C ATOM 37 O LEU A 3 67.489 9.442 0.908 1.00 0.00 O ATOM 38 CB LEU A 3 64.970 10.097 -1.517 1.00 0.00 C ATOM 39 CG LEU A 3 66.071 10.718 -2.381 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.863 10.309 -3.841 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.006 12.243 -2.265 1.00 0.00 C ATOM 0 H LEU A 3 65.912 11.892 0.122 1.00 0.00 H new ATOM 0 HA LEU A 3 64.533 9.296 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.693 9.135 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.088 10.736 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 3 67.045 10.367 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.646 10.750 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.905 9.223 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.890 10.662 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.789 12.688 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.032 12.593 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.150 12.535 -1.225 1.00 0.00 H new ATOM 53 N LEU A 4 66.814 8.082 -0.754 1.00 0.00 N ATOM 54 CA LEU A 4 68.038 7.281 -0.706 1.00 0.00 C ATOM 55 C LEU A 4 68.736 7.278 -2.064 1.00 0.00 C ATOM 56 O LEU A 4 68.147 7.639 -3.083 1.00 0.00 O ATOM 57 CB LEU A 4 67.715 5.837 -0.300 1.00 0.00 C ATOM 58 CG LEU A 4 68.656 5.228 0.742 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.123 5.525 2.144 1.00 0.00 C ATOM 60 CD2 LEU A 4 68.732 3.713 0.537 1.00 0.00 C ATOM 0 H LEU A 4 66.134 7.785 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 4 68.702 7.727 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.698 5.805 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.734 5.212 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 4 69.650 5.661 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.792 5.092 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.067 6.604 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.129 5.092 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 4 69.402 3.279 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 4 67.738 3.280 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.110 3.500 -0.463 1.00 0.00 H new ATOM 72 N THR A 5 69.999 6.859 -2.064 1.00 0.00 N ATOM 73 CA THR A 5 70.770 6.803 -3.303 1.00 0.00 C ATOM 74 C THR A 5 71.573 5.510 -3.383 1.00 0.00 C ATOM 75 O THR A 5 71.651 4.744 -2.421 1.00 0.00 O ATOM 76 CB THR A 5 71.730 7.990 -3.395 1.00 0.00 C ATOM 77 OG1 THR A 5 72.320 8.223 -2.125 1.00 0.00 O ATOM 78 CG2 THR A 5 70.959 9.231 -3.838 1.00 0.00 C ATOM 0 H THR A 5 70.505 6.557 -1.232 1.00 0.00 H new ATOM 0 HA THR A 5 70.064 6.841 -4.132 1.00 0.00 H new ATOM 0 HB THR A 5 72.513 7.771 -4.121 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.631 8.516 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.641 10.079 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.509 9.050 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.176 9.451 -3.112 1.00 0.00 H new ATOM 86 N LEU A 6 72.176 5.283 -4.547 1.00 0.00 N ATOM 87 CA LEU A 6 72.984 4.084 -4.763 1.00 0.00 C ATOM 88 C LEU A 6 74.155 4.053 -3.786 1.00 0.00 C ATOM 89 O LEU A 6 74.422 3.041 -3.139 1.00 0.00 O ATOM 90 CB LEU A 6 73.520 4.060 -6.199 1.00 0.00 C ATOM 91 CG LEU A 6 74.519 2.932 -6.510 1.00 0.00 C ATOM 92 CD1 LEU A 6 74.162 2.267 -7.842 1.00 0.00 C ATOM 93 CD2 LEU A 6 75.938 3.506 -6.597 1.00 0.00 C ATOM 0 H LEU A 6 72.122 5.908 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 6 72.354 3.210 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.676 3.974 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.001 5.016 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 6 74.472 2.191 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 6 74.875 1.470 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.157 1.849 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 6 74.199 3.008 -8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 6 76.642 2.704 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 6 75.980 4.254 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 6 76.202 3.969 -5.646 1.00 0.00 H new ATOM 105 N SER A 7 74.847 5.181 -3.693 1.00 0.00 N ATOM 106 CA SER A 7 75.997 5.295 -2.799 1.00 0.00 C ATOM 107 C SER A 7 75.588 5.021 -1.353 1.00 0.00 C ATOM 108 O SER A 7 76.340 4.424 -0.584 1.00 0.00 O ATOM 109 CB SER A 7 76.604 6.696 -2.891 1.00 0.00 C ATOM 110 OG SER A 7 78.022 6.598 -2.853 1.00 0.00 O ATOM 0 H SER A 7 74.635 6.027 -4.222 1.00 0.00 H new ATOM 0 HA SER A 7 76.736 4.555 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 7 76.286 7.182 -3.813 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.249 7.314 -2.066 1.00 0.00 H new ATOM 0 HG SER A 7 78.414 7.494 -2.914 1.00 0.00 H new ATOM 116 N ASP A 8 74.386 5.464 -0.993 1.00 0.00 N ATOM 117 CA ASP A 8 73.883 5.265 0.364 1.00 0.00 C ATOM 118 C ASP A 8 73.819 3.781 0.706 1.00 0.00 C ATOM 119 O ASP A 8 74.351 3.340 1.721 1.00 0.00 O ATOM 120 CB ASP A 8 72.479 5.856 0.502 1.00 0.00 C ATOM 121 CG ASP A 8 72.549 7.380 0.570 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.582 7.896 0.970 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.563 8.010 0.224 1.00 0.00 O ATOM 0 H ASP A 8 73.747 5.959 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 8 74.568 5.767 1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.864 5.551 -0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.000 5.467 1.400 1.00 0.00 H new ATOM 128 N LEU A 9 73.160 3.017 -0.157 1.00 0.00 N ATOM 129 CA LEU A 9 73.017 1.578 0.053 1.00 0.00 C ATOM 130 C LEU A 9 74.388 0.913 0.125 1.00 0.00 C ATOM 131 O LEU A 9 74.760 0.314 1.135 1.00 0.00 O ATOM 132 CB LEU A 9 72.231 0.969 -1.113 1.00 0.00 C ATOM 133 CG LEU A 9 71.558 -0.389 -0.862 1.00 0.00 C ATOM 134 CD1 LEU A 9 72.498 -1.341 -0.114 1.00 0.00 C ATOM 135 CD2 LEU A 9 70.284 -0.180 -0.040 1.00 0.00 C ATOM 0 H LEU A 9 72.717 3.367 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 9 72.488 1.412 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.460 1.680 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.909 0.861 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 9 71.313 -0.836 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 9 71.995 -2.294 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 9 73.399 -1.503 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 9 72.769 -0.904 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 9 69.805 -1.142 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.538 0.282 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 9 69.600 0.469 -0.587 1.00 0.00 H new ATOM 147 N LEU A 10 75.117 1.014 -0.977 1.00 0.00 N ATOM 148 CA LEU A 10 76.451 0.413 -1.091 1.00 0.00 C ATOM 149 C LEU A 10 77.333 0.689 0.136 1.00 0.00 C ATOM 150 O LEU A 10 77.966 -0.220 0.669 1.00 0.00 O ATOM 151 CB LEU A 10 77.150 0.942 -2.345 1.00 0.00 C ATOM 152 CG LEU A 10 76.848 0.165 -3.630 1.00 0.00 C ATOM 153 CD1 LEU A 10 77.396 -1.257 -3.508 1.00 0.00 C ATOM 154 CD2 LEU A 10 75.334 0.109 -3.851 1.00 0.00 C ATOM 0 H LEU A 10 74.810 1.509 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 10 76.310 -0.666 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.862 1.983 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.227 0.930 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 10 77.321 0.666 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 10 77.181 -1.810 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 10 78.474 -1.219 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 10 76.924 -1.757 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.120 -0.444 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 10 74.861 -0.391 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 74.941 1.122 -3.939 1.00 0.00 H new ATOM 166 N THR A 11 77.380 1.946 0.568 1.00 0.00 N ATOM 167 CA THR A 11 78.191 2.326 1.712 1.00 0.00 C ATOM 168 C THR A 11 77.787 1.544 2.962 1.00 0.00 C ATOM 169 O THR A 11 78.627 0.961 3.646 1.00 0.00 O ATOM 170 CB THR A 11 78.029 3.826 1.958 1.00 0.00 C ATOM 171 OG1 THR A 11 78.402 4.537 0.786 1.00 0.00 O ATOM 172 CG2 THR A 11 78.914 4.257 3.109 1.00 0.00 C ATOM 0 H THR A 11 76.865 2.716 0.141 1.00 0.00 H new ATOM 0 HA THR A 11 79.234 2.092 1.497 1.00 0.00 H new ATOM 0 HB THR A 11 76.989 4.040 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.597 4.846 0.321 1.00 0.00 H new ATOM 0 HG21 THR A 11 78.794 5.327 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.631 3.712 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 11 79.955 4.043 2.868 1.00 0.00 H new ATOM 180 N LEU A 12 76.499 1.533 3.259 1.00 0.00 N ATOM 181 CA LEU A 12 76.023 0.800 4.426 1.00 0.00 C ATOM 182 C LEU A 12 76.245 -0.690 4.210 1.00 0.00 C ATOM 183 O LEU A 12 76.547 -1.435 5.142 1.00 0.00 O ATOM 184 CB LEU A 12 74.538 1.056 4.663 1.00 0.00 C ATOM 185 CG LEU A 12 74.159 2.528 4.777 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.641 2.661 4.912 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.840 3.129 6.005 1.00 0.00 C ATOM 0 H LEU A 12 75.775 2.011 2.723 1.00 0.00 H new ATOM 0 HA LEU A 12 76.579 1.142 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.971 0.610 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.236 0.545 5.577 1.00 0.00 H new ATOM 0 HG LEU A 12 74.485 3.059 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.374 3.715 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.159 2.231 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.307 2.132 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.572 4.182 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 12 74.513 2.597 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.921 3.037 5.903 1.00 0.00 H new ATOM 199 N LEU A 13 76.085 -1.109 2.959 1.00 0.00 N ATOM 200 CA LEU A 13 76.261 -2.513 2.607 1.00 0.00 C ATOM 201 C LEU A 13 77.715 -2.946 2.782 1.00 0.00 C ATOM 202 O LEU A 13 77.994 -3.939 3.456 1.00 0.00 O ATOM 203 CB LEU A 13 75.810 -2.775 1.162 1.00 0.00 C ATOM 204 CG LEU A 13 74.672 -3.795 1.015 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.462 -4.121 -0.467 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.023 -5.083 1.778 1.00 0.00 C ATOM 0 H LEU A 13 75.836 -0.502 2.178 1.00 0.00 H new ATOM 0 HA LEU A 13 75.640 -3.101 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.492 -1.831 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.668 -3.124 0.587 1.00 0.00 H new ATOM 0 HG LEU A 13 73.757 -3.371 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.654 -4.845 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.203 -3.210 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.379 -4.540 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.212 -5.803 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.941 -5.508 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.166 -4.853 2.834 1.00 0.00 H new ATOM 218 N ARG A 14 78.642 -2.201 2.180 1.00 0.00 N ATOM 219 CA ARG A 14 80.054 -2.552 2.306 1.00 0.00 C ATOM 220 C ARG A 14 80.497 -2.408 3.761 1.00 0.00 C ATOM 221 O ARG A 14 81.385 -3.122 4.227 1.00 0.00 O ATOM 222 CB ARG A 14 80.940 -1.683 1.404 1.00 0.00 C ATOM 223 CG ARG A 14 80.753 -0.209 1.750 1.00 0.00 C ATOM 224 CD ARG A 14 81.793 0.220 2.791 1.00 0.00 C ATOM 225 NE ARG A 14 81.195 1.111 3.788 1.00 0.00 N ATOM 226 CZ ARG A 14 81.938 1.901 4.576 1.00 0.00 C ATOM 227 NH1 ARG A 14 83.247 1.908 4.494 1.00 0.00 N ATOM 228 NH2 ARG A 14 81.347 2.677 5.443 1.00 0.00 N ATOM 0 H ARG A 14 78.448 -1.374 1.616 1.00 0.00 H new ATOM 0 HA ARG A 14 80.168 -3.588 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.986 -1.964 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.686 -1.854 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.853 0.400 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.748 -0.042 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 14 82.205 -0.660 3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.622 0.725 2.296 1.00 0.00 H new ATOM 0 HE ARG A 14 80.180 1.131 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.719 1.304 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 14 83.793 2.517 5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 14 80.330 2.678 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 14 81.902 3.282 6.048 1.00 0.00 H new ATOM 242 N GLU A 15 79.850 -1.487 4.482 1.00 0.00 N ATOM 243 CA GLU A 15 80.170 -1.276 5.891 1.00 0.00 C ATOM 244 C GLU A 15 79.875 -2.548 6.675 1.00 0.00 C ATOM 245 O GLU A 15 80.733 -3.081 7.379 1.00 0.00 O ATOM 246 CB GLU A 15 79.338 -0.125 6.464 1.00 0.00 C ATOM 247 CG GLU A 15 79.786 0.175 7.899 1.00 0.00 C ATOM 248 CD GLU A 15 80.708 1.390 7.908 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.198 2.496 7.834 1.00 0.00 O ATOM 250 OE2 GLU A 15 81.910 1.196 7.988 1.00 0.00 O ATOM 0 H GLU A 15 79.112 -0.885 4.117 1.00 0.00 H new ATOM 0 HA GLU A 15 81.227 -1.024 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.454 0.764 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.280 -0.387 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.917 0.362 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.303 -0.689 8.317 1.00 0.00 H new ATOM 257 N CYS A 16 78.648 -3.039 6.521 1.00 0.00 N ATOM 258 CA CYS A 16 78.233 -4.266 7.193 1.00 0.00 C ATOM 259 C CYS A 16 79.080 -5.429 6.701 1.00 0.00 C ATOM 260 O CYS A 16 79.478 -6.304 7.470 1.00 0.00 O ATOM 261 CB CYS A 16 76.769 -4.562 6.888 1.00 0.00 C ATOM 262 SG CYS A 16 76.074 -5.586 8.208 1.00 0.00 S ATOM 0 H CYS A 16 77.928 -2.609 5.940 1.00 0.00 H new ATOM 0 HA CYS A 16 78.363 -4.137 8.268 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.209 -3.631 6.802 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.682 -5.076 5.931 1.00 0.00 H new ATOM 0 HG CYS A 16 75.503 -4.824 9.093 1.00 0.00 H new ATOM 268 N ALA A 17 79.351 -5.419 5.399 1.00 0.00 N ATOM 269 CA ALA A 17 80.158 -6.471 4.785 1.00 0.00 C ATOM 270 C ALA A 17 81.547 -6.515 5.415 1.00 0.00 C ATOM 271 O ALA A 17 82.155 -7.578 5.543 1.00 0.00 O ATOM 272 CB ALA A 17 80.303 -6.224 3.282 1.00 0.00 C ATOM 0 H ALA A 17 79.027 -4.700 4.752 1.00 0.00 H new ATOM 0 HA ALA A 17 79.653 -7.422 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.907 -7.016 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.317 -6.217 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.789 -5.262 3.117 1.00 0.00 H new ATOM 278 N GLY A 18 82.040 -5.344 5.813 1.00 0.00 N ATOM 279 CA GLY A 18 83.358 -5.255 6.435 1.00 0.00 C ATOM 280 C GLY A 18 84.393 -4.716 5.451 1.00 0.00 C ATOM 281 O GLY A 18 85.572 -5.060 5.520 1.00 0.00 O ATOM 0 H GLY A 18 81.553 -4.453 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 18 83.308 -4.605 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 18 83.665 -6.240 6.788 1.00 0.00 H new ATOM 285 N GLU A 19 83.936 -3.867 4.535 1.00 0.00 N ATOM 286 CA GLU A 19 84.827 -3.284 3.542 1.00 0.00 C ATOM 287 C GLU A 19 85.093 -1.816 3.863 1.00 0.00 C ATOM 288 O GLU A 19 84.280 -1.147 4.500 1.00 0.00 O ATOM 289 CB GLU A 19 84.213 -3.393 2.143 1.00 0.00 C ATOM 290 CG GLU A 19 84.713 -4.669 1.461 1.00 0.00 C ATOM 291 CD GLU A 19 84.178 -5.888 2.206 1.00 0.00 C ATOM 292 OE1 GLU A 19 84.772 -6.254 3.206 1.00 0.00 O ATOM 293 OE2 GLU A 19 83.182 -6.438 1.765 1.00 0.00 O ATOM 0 H GLU A 19 82.963 -3.571 4.461 1.00 0.00 H new ATOM 0 HA GLU A 19 85.768 -3.834 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 19 83.125 -3.408 2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 19 84.483 -2.521 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 19 84.384 -4.691 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 19 85.803 -4.685 1.451 1.00 0.00 H new ATOM 300 N GLU A 20 86.245 -1.325 3.415 1.00 0.00 N ATOM 301 CA GLU A 20 86.618 0.066 3.658 1.00 0.00 C ATOM 302 C GLU A 20 86.496 0.886 2.372 1.00 0.00 C ATOM 303 O GLU A 20 87.461 1.496 1.905 1.00 0.00 O ATOM 304 CB GLU A 20 88.055 0.149 4.183 1.00 0.00 C ATOM 305 CG GLU A 20 88.356 1.583 4.624 1.00 0.00 C ATOM 306 CD GLU A 20 88.087 1.723 6.118 1.00 0.00 C ATOM 307 OE1 GLU A 20 88.970 1.397 6.893 1.00 0.00 O ATOM 308 OE2 GLU A 20 87.000 2.156 6.466 1.00 0.00 O ATOM 0 H GLU A 20 86.931 -1.864 2.886 1.00 0.00 H new ATOM 0 HA GLU A 20 85.939 0.474 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.187 -0.536 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 20 88.755 -0.158 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 20 89.395 1.831 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 20 87.737 2.284 4.065 1.00 0.00 H new ATOM 315 N GLU A 21 85.293 0.893 1.806 1.00 0.00 N ATOM 316 CA GLU A 21 85.040 1.638 0.572 1.00 0.00 C ATOM 317 C GLU A 21 83.588 1.465 0.138 1.00 0.00 C ATOM 318 O GLU A 21 83.055 0.355 0.130 1.00 0.00 O ATOM 319 CB GLU A 21 85.962 1.161 -0.559 1.00 0.00 C ATOM 320 CG GLU A 21 85.984 -0.372 -0.613 1.00 0.00 C ATOM 321 CD GLU A 21 87.309 -0.892 -0.060 1.00 0.00 C ATOM 322 OE1 GLU A 21 88.317 -0.704 -0.720 1.00 0.00 O ATOM 323 OE2 GLU A 21 87.293 -1.469 1.014 1.00 0.00 O ATOM 0 H GLU A 21 84.483 0.396 2.176 1.00 0.00 H new ATOM 0 HA GLU A 21 85.241 2.690 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 21 85.617 1.561 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 21 86.971 1.541 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 21 85.154 -0.777 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 21 85.851 -0.710 -1.641 1.00 0.00 H new ATOM 330 N SER A 22 82.951 2.580 -0.214 1.00 0.00 N ATOM 331 CA SER A 22 81.550 2.561 -0.643 1.00 0.00 C ATOM 332 C SER A 22 81.333 1.579 -1.791 1.00 0.00 C ATOM 333 O SER A 22 80.384 0.798 -1.786 1.00 0.00 O ATOM 334 CB SER A 22 81.118 3.954 -1.102 1.00 0.00 C ATOM 335 OG SER A 22 81.867 4.322 -2.253 1.00 0.00 O ATOM 0 H SER A 22 83.379 3.506 -0.211 1.00 0.00 H new ATOM 0 HA SER A 22 80.952 2.245 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 22 80.052 3.960 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 22 81.277 4.678 -0.303 1.00 0.00 H new ATOM 0 HG SER A 22 81.591 5.214 -2.551 1.00 0.00 H new ATOM 341 N ILE A 23 82.220 1.628 -2.777 1.00 0.00 N ATOM 342 CA ILE A 23 82.107 0.746 -3.931 1.00 0.00 C ATOM 343 C ILE A 23 83.346 -0.132 -4.065 1.00 0.00 C ATOM 344 O ILE A 23 84.222 0.115 -4.894 1.00 0.00 O ATOM 345 CB ILE A 23 81.926 1.563 -5.213 1.00 0.00 C ATOM 346 CG1 ILE A 23 80.793 2.589 -5.031 1.00 0.00 C ATOM 347 CG2 ILE A 23 81.586 0.622 -6.366 1.00 0.00 C ATOM 348 CD1 ILE A 23 79.480 1.880 -4.672 1.00 0.00 C ATOM 0 H ILE A 23 83.018 2.263 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 23 81.235 0.110 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 23 82.851 2.095 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 23 81.058 3.297 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 23 80.664 3.164 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 23 81.456 1.200 -7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 23 82.396 -0.095 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 23 80.663 0.088 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 23 78.689 2.620 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 23 79.208 1.190 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 23 79.608 1.325 -3.742 1.00 0.00 H new ATOM 360 N ASP A 24 83.400 -1.166 -3.236 1.00 0.00 N ATOM 361 CA ASP A 24 84.527 -2.095 -3.256 1.00 0.00 C ATOM 362 C ASP A 24 84.375 -3.088 -4.405 1.00 0.00 C ATOM 363 O ASP A 24 85.355 -3.490 -5.032 1.00 0.00 O ATOM 364 CB ASP A 24 84.605 -2.872 -1.941 1.00 0.00 C ATOM 365 CG ASP A 24 86.011 -3.436 -1.765 1.00 0.00 C ATOM 366 OD1 ASP A 24 86.592 -3.847 -2.756 1.00 0.00 O ATOM 367 OD2 ASP A 24 86.486 -3.448 -0.641 1.00 0.00 O ATOM 0 H ASP A 24 82.682 -1.384 -2.545 1.00 0.00 H new ATOM 0 HA ASP A 24 85.439 -1.514 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 24 84.357 -2.218 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 24 83.875 -3.681 -1.941 1.00 0.00 H new ATOM 372 N LEU A 25 83.133 -3.480 -4.669 1.00 0.00 N ATOM 373 CA LEU A 25 82.851 -4.431 -5.742 1.00 0.00 C ATOM 374 C LEU A 25 83.309 -3.876 -7.089 1.00 0.00 C ATOM 375 O LEU A 25 83.702 -4.626 -7.983 1.00 0.00 O ATOM 376 CB LEU A 25 81.353 -4.732 -5.813 1.00 0.00 C ATOM 377 CG LEU A 25 80.706 -5.122 -4.481 1.00 0.00 C ATOM 378 CD1 LEU A 25 79.216 -5.388 -4.697 1.00 0.00 C ATOM 379 CD2 LEU A 25 81.377 -6.388 -3.942 1.00 0.00 C ATOM 0 H LEU A 25 82.310 -3.158 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 25 83.397 -5.349 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.840 -3.854 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.194 -5.540 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 25 80.830 -4.310 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.755 -5.666 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.738 -4.488 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.091 -6.200 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 25 80.918 -6.668 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 25 81.252 -7.200 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 82.440 -6.200 -3.789 1.00 0.00 H new ATOM 391 N GLY A 26 83.253 -2.555 -7.224 1.00 0.00 N ATOM 392 CA GLY A 26 83.663 -1.909 -8.467 1.00 0.00 C ATOM 393 C GLY A 26 82.671 -0.822 -8.862 1.00 0.00 C ATOM 394 O GLY A 26 83.050 0.313 -9.150 1.00 0.00 O ATOM 0 H GLY A 26 82.931 -1.916 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 26 84.656 -1.476 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 26 83.733 -2.651 -9.262 1.00 0.00 H new ATOM 398 N GLY A 27 81.390 -1.183 -8.872 1.00 0.00 N ATOM 399 CA GLY A 27 80.346 -0.234 -9.231 1.00 0.00 C ATOM 400 C GLY A 27 79.304 -0.883 -10.137 1.00 0.00 C ATOM 401 O GLY A 27 78.130 -0.516 -10.118 1.00 0.00 O ATOM 0 H GLY A 27 81.055 -2.117 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 27 79.865 0.141 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 27 80.788 0.624 -9.736 1.00 0.00 H new ATOM 405 N ASP A 28 79.749 -1.850 -10.935 1.00 0.00 N ATOM 406 CA ASP A 28 78.852 -2.544 -11.850 1.00 0.00 C ATOM 407 C ASP A 28 78.127 -3.684 -11.133 1.00 0.00 C ATOM 408 O ASP A 28 78.228 -4.851 -11.515 1.00 0.00 O ATOM 409 CB ASP A 28 79.634 -3.105 -13.042 1.00 0.00 C ATOM 410 CG ASP A 28 78.714 -3.207 -14.253 1.00 0.00 C ATOM 411 OD1 ASP A 28 77.583 -3.630 -14.079 1.00 0.00 O ATOM 412 OD2 ASP A 28 79.154 -2.859 -15.337 1.00 0.00 O ATOM 0 H ASP A 28 80.718 -2.168 -10.966 1.00 0.00 H new ATOM 0 HA ASP A 28 78.115 -1.826 -12.210 1.00 0.00 H new ATOM 0 HB2 ASP A 28 80.482 -2.459 -13.270 1.00 0.00 H new ATOM 0 HB3 ASP A 28 80.038 -4.087 -12.796 1.00 0.00 H new ATOM 417 N VAL A 29 77.391 -3.329 -10.084 1.00 0.00 N ATOM 418 CA VAL A 29 76.646 -4.329 -9.314 1.00 0.00 C ATOM 419 C VAL A 29 75.336 -3.733 -8.795 1.00 0.00 C ATOM 420 O VAL A 29 74.796 -4.181 -7.784 1.00 0.00 O ATOM 421 CB VAL A 29 77.466 -4.833 -8.112 1.00 0.00 C ATOM 422 CG1 VAL A 29 76.928 -6.186 -7.652 1.00 0.00 C ATOM 423 CG2 VAL A 29 78.944 -4.990 -8.496 1.00 0.00 C ATOM 0 H VAL A 29 77.293 -2.371 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 29 76.439 -5.165 -9.982 1.00 0.00 H new ATOM 0 HB VAL A 29 77.380 -4.103 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 29 77.511 -6.539 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 29 75.884 -6.081 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 29 77.005 -6.905 -8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 29 79.508 -5.347 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 29 79.034 -5.708 -9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 79.341 -4.027 -8.816 1.00 0.00 H new ATOM 433 N GLU A 30 74.829 -2.719 -9.498 1.00 0.00 N ATOM 434 CA GLU A 30 73.586 -2.075 -9.098 1.00 0.00 C ATOM 435 C GLU A 30 72.379 -2.904 -9.545 1.00 0.00 C ATOM 436 O GLU A 30 71.313 -2.862 -8.926 1.00 0.00 O ATOM 437 CB GLU A 30 73.501 -0.675 -9.711 1.00 0.00 C ATOM 438 CG GLU A 30 73.492 -0.765 -11.242 1.00 0.00 C ATOM 439 CD GLU A 30 74.333 0.363 -11.831 1.00 0.00 C ATOM 440 OE1 GLU A 30 75.455 0.533 -11.384 1.00 0.00 O ATOM 441 OE2 GLU A 30 73.841 1.040 -12.718 1.00 0.00 O ATOM 0 H GLU A 30 75.258 -2.332 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 30 73.575 -1.997 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.598 -0.173 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.348 -0.073 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.886 -1.730 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.469 -0.700 -11.613 1.00 0.00 H new ATOM 448 N ASP A 31 72.567 -3.660 -10.625 1.00 0.00 N ATOM 449 CA ASP A 31 71.503 -4.504 -11.155 1.00 0.00 C ATOM 450 C ASP A 31 71.870 -5.979 -10.997 1.00 0.00 C ATOM 451 O ASP A 31 71.437 -6.831 -11.772 1.00 0.00 O ATOM 452 CB ASP A 31 71.265 -4.199 -12.635 1.00 0.00 C ATOM 453 CG ASP A 31 70.408 -2.945 -12.765 1.00 0.00 C ATOM 454 OD1 ASP A 31 69.434 -2.839 -12.038 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.737 -2.108 -13.589 1.00 0.00 O ATOM 0 H ASP A 31 73.442 -3.704 -11.147 1.00 0.00 H new ATOM 0 HA ASP A 31 70.592 -4.295 -10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.217 -4.056 -13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.769 -5.042 -13.116 1.00 0.00 H new ATOM 460 N VAL A 32 72.668 -6.267 -9.969 1.00 0.00 N ATOM 461 CA VAL A 32 73.088 -7.632 -9.689 1.00 0.00 C ATOM 462 C VAL A 32 72.530 -8.061 -8.334 1.00 0.00 C ATOM 463 O VAL A 32 72.645 -7.336 -7.346 1.00 0.00 O ATOM 464 CB VAL A 32 74.618 -7.718 -9.664 1.00 0.00 C ATOM 465 CG1 VAL A 32 75.058 -9.166 -9.425 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.172 -7.238 -11.006 1.00 0.00 C ATOM 0 H VAL A 32 73.034 -5.571 -9.319 1.00 0.00 H new ATOM 0 HA VAL A 32 72.710 -8.292 -10.470 1.00 0.00 H new ATOM 0 HB VAL A 32 74.999 -7.090 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.147 -9.218 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.664 -9.513 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.677 -9.799 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.260 -7.297 -10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.784 -7.868 -11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.867 -6.206 -11.177 1.00 0.00 H new ATOM 476 N ALA A 33 71.912 -9.240 -8.298 1.00 0.00 N ATOM 477 CA ALA A 33 71.327 -9.744 -7.054 1.00 0.00 C ATOM 478 C ALA A 33 72.371 -9.800 -5.942 1.00 0.00 C ATOM 479 O ALA A 33 73.565 -9.959 -6.196 1.00 0.00 O ATOM 480 CB ALA A 33 70.746 -11.144 -7.254 1.00 0.00 C ATOM 0 H ALA A 33 71.803 -9.858 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 33 70.531 -9.056 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.317 -11.497 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.969 -11.110 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.537 -11.824 -7.570 1.00 0.00 H new ATOM 486 N PHE A 34 71.903 -9.663 -4.703 1.00 0.00 N ATOM 487 CA PHE A 34 72.800 -9.696 -3.544 1.00 0.00 C ATOM 488 C PHE A 34 73.609 -10.992 -3.525 1.00 0.00 C ATOM 489 O PHE A 34 74.820 -10.984 -3.307 1.00 0.00 O ATOM 490 CB PHE A 34 71.997 -9.589 -2.247 1.00 0.00 C ATOM 491 CG PHE A 34 71.316 -8.242 -2.185 1.00 0.00 C ATOM 492 CD1 PHE A 34 72.082 -7.070 -2.186 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.920 -8.164 -2.126 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.454 -5.821 -2.127 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.291 -6.914 -2.067 1.00 0.00 C ATOM 496 CZ PHE A 34 70.058 -5.743 -2.067 1.00 0.00 C ATOM 0 H PHE A 34 70.918 -9.529 -4.474 1.00 0.00 H new ATOM 0 HA PHE A 34 73.481 -8.849 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.255 -10.386 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.656 -9.715 -1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.159 -7.130 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.328 -9.067 -2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 34 72.046 -4.918 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.214 -6.854 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.572 -4.779 -2.021 1.00 0.00 H new ATOM 506 N ASP A 35 72.927 -12.104 -3.766 1.00 0.00 N ATOM 507 CA ASP A 35 73.589 -13.401 -3.784 1.00 0.00 C ATOM 508 C ASP A 35 74.513 -13.528 -4.998 1.00 0.00 C ATOM 509 O ASP A 35 75.422 -14.358 -5.013 1.00 0.00 O ATOM 510 CB ASP A 35 72.551 -14.521 -3.829 1.00 0.00 C ATOM 511 CG ASP A 35 71.606 -14.297 -5.005 1.00 0.00 C ATOM 512 OD1 ASP A 35 72.053 -14.430 -6.132 1.00 0.00 O ATOM 513 OD2 ASP A 35 70.449 -13.995 -4.761 1.00 0.00 O ATOM 0 H ASP A 35 71.924 -12.134 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 35 74.184 -13.485 -2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 35 73.047 -15.486 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 35 71.987 -14.546 -2.896 1.00 0.00 H new ATOM 518 N ALA A 36 74.267 -12.709 -6.023 1.00 0.00 N ATOM 519 CA ALA A 36 75.076 -12.755 -7.234 1.00 0.00 C ATOM 520 C ALA A 36 76.409 -12.036 -7.042 1.00 0.00 C ATOM 521 O ALA A 36 77.422 -12.423 -7.625 1.00 0.00 O ATOM 522 CB ALA A 36 74.328 -12.105 -8.399 1.00 0.00 C ATOM 0 H ALA A 36 73.521 -12.014 -6.036 1.00 0.00 H new ATOM 0 HA ALA A 36 75.270 -13.805 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 36 74.945 -12.147 -9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 36 73.394 -12.639 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.111 -11.065 -8.157 1.00 0.00 H new ATOM 528 N LEU A 37 76.407 -10.980 -6.230 1.00 0.00 N ATOM 529 CA LEU A 37 77.636 -10.222 -5.996 1.00 0.00 C ATOM 530 C LEU A 37 78.460 -10.841 -4.866 1.00 0.00 C ATOM 531 O LEU A 37 79.675 -10.654 -4.801 1.00 0.00 O ATOM 532 CB LEU A 37 77.323 -8.757 -5.671 1.00 0.00 C ATOM 533 CG LEU A 37 76.736 -8.490 -4.281 1.00 0.00 C ATOM 534 CD1 LEU A 37 77.873 -8.228 -3.288 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.815 -7.265 -4.342 1.00 0.00 C ATOM 0 H LEU A 37 75.587 -10.635 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 37 78.223 -10.260 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 37 78.241 -8.178 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.624 -8.381 -6.418 1.00 0.00 H new ATOM 0 HG LEU A 37 76.163 -9.358 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 37 77.456 -8.038 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 37 78.526 -9.099 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 37 78.447 -7.360 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.397 -7.074 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.387 -6.396 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 37 75.006 -7.453 -5.048 1.00 0.00 H new ATOM 547 N GLY A 38 77.801 -11.592 -3.982 1.00 0.00 N ATOM 548 CA GLY A 38 78.514 -12.235 -2.879 1.00 0.00 C ATOM 549 C GLY A 38 77.823 -12.034 -1.526 1.00 0.00 C ATOM 550 O GLY A 38 78.322 -12.500 -0.501 1.00 0.00 O ATOM 0 H GLY A 38 76.796 -11.767 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.601 -13.302 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.527 -11.837 -2.827 1.00 0.00 H new ATOM 554 N TYR A 39 76.679 -11.345 -1.511 1.00 0.00 N ATOM 555 CA TYR A 39 75.970 -11.120 -0.255 1.00 0.00 C ATOM 556 C TYR A 39 75.153 -12.352 0.116 1.00 0.00 C ATOM 557 O TYR A 39 74.822 -13.173 -0.740 1.00 0.00 O ATOM 558 CB TYR A 39 75.031 -9.922 -0.380 1.00 0.00 C ATOM 559 CG TYR A 39 75.803 -8.636 -0.204 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.637 -8.459 0.906 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.678 -7.618 -1.155 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.347 -7.263 1.064 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.387 -6.423 -0.998 1.00 0.00 C ATOM 564 CZ TYR A 39 77.222 -6.244 0.111 1.00 0.00 C ATOM 565 OH TYR A 39 77.921 -5.065 0.266 1.00 0.00 O ATOM 0 H TYR A 39 76.234 -10.942 -2.336 1.00 0.00 H new ATOM 0 HA TYR A 39 76.709 -10.922 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.544 -9.932 -1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.243 -9.988 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.733 -9.245 1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 39 75.034 -7.755 -2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 39 77.991 -7.126 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.290 -5.638 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 39 77.837 -4.525 -0.548 1.00 0.00 H new ATOM 575 N ASP A 40 74.823 -12.472 1.399 1.00 0.00 N ATOM 576 CA ASP A 40 74.037 -13.608 1.863 1.00 0.00 C ATOM 577 C ASP A 40 72.612 -13.164 2.160 1.00 0.00 C ATOM 578 O ASP A 40 71.671 -13.511 1.447 1.00 0.00 O ATOM 579 CB ASP A 40 74.652 -14.208 3.129 1.00 0.00 C ATOM 580 CG ASP A 40 75.695 -15.252 2.744 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.761 -14.859 2.300 1.00 0.00 O ATOM 582 OD2 ASP A 40 75.411 -16.428 2.897 1.00 0.00 O ATOM 0 H ASP A 40 75.084 -11.806 2.126 1.00 0.00 H new ATOM 0 HA ASP A 40 74.031 -14.365 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.112 -13.423 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.875 -14.664 3.742 1.00 0.00 H new ATOM 587 N SER A 41 72.476 -12.385 3.226 1.00 0.00 N ATOM 588 CA SER A 41 71.175 -11.867 3.649 1.00 0.00 C ATOM 589 C SER A 41 71.313 -11.238 5.020 1.00 0.00 C ATOM 590 O SER A 41 70.803 -10.148 5.270 1.00 0.00 O ATOM 591 CB SER A 41 70.120 -12.980 3.717 1.00 0.00 C ATOM 592 OG SER A 41 69.445 -13.063 2.468 1.00 0.00 O ATOM 0 H SER A 41 73.254 -12.095 3.818 1.00 0.00 H new ATOM 0 HA SER A 41 70.849 -11.129 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.594 -13.933 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.408 -12.774 4.516 1.00 0.00 H new ATOM 0 HG SER A 41 70.096 -12.993 1.739 1.00 0.00 H new ATOM 598 N LEU A 42 72.030 -11.937 5.900 1.00 0.00 N ATOM 599 CA LEU A 42 72.259 -11.456 7.265 1.00 0.00 C ATOM 600 C LEU A 42 72.793 -10.026 7.256 1.00 0.00 C ATOM 601 O LEU A 42 72.345 -9.172 8.024 1.00 0.00 O ATOM 602 CB LEU A 42 73.267 -12.354 7.985 1.00 0.00 C ATOM 603 CG LEU A 42 74.618 -12.509 7.280 1.00 0.00 C ATOM 604 CD1 LEU A 42 75.591 -11.442 7.790 1.00 0.00 C ATOM 605 CD2 LEU A 42 75.190 -13.900 7.573 1.00 0.00 C ATOM 0 H LEU A 42 72.462 -12.837 5.694 1.00 0.00 H new ATOM 0 HA LEU A 42 71.303 -11.480 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.440 -11.952 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 42 72.825 -13.342 8.111 1.00 0.00 H new ATOM 0 HG LEU A 42 74.480 -12.389 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.551 -11.555 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.186 -10.451 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 42 75.729 -11.559 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.151 -14.011 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.326 -14.019 8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 42 74.500 -14.661 7.208 1.00 0.00 H new ATOM 617 N ALA A 43 73.748 -9.776 6.367 1.00 0.00 N ATOM 618 CA ALA A 43 74.335 -8.445 6.257 1.00 0.00 C ATOM 619 C ALA A 43 73.281 -7.443 5.815 1.00 0.00 C ATOM 620 O ALA A 43 73.187 -6.341 6.351 1.00 0.00 O ATOM 621 CB ALA A 43 75.481 -8.447 5.243 1.00 0.00 C ATOM 0 H ALA A 43 74.128 -10.467 5.720 1.00 0.00 H new ATOM 0 HA ALA A 43 74.722 -8.161 7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.907 -7.446 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.251 -9.148 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.102 -8.748 4.266 1.00 0.00 H new ATOM 627 N LEU A 44 72.490 -7.841 4.828 1.00 0.00 N ATOM 628 CA LEU A 44 71.442 -6.972 4.306 1.00 0.00 C ATOM 629 C LEU A 44 70.430 -6.618 5.390 1.00 0.00 C ATOM 630 O LEU A 44 70.012 -5.468 5.506 1.00 0.00 O ATOM 631 CB LEU A 44 70.729 -7.644 3.134 1.00 0.00 C ATOM 632 CG LEU A 44 71.648 -8.076 1.986 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.807 -8.564 0.810 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.499 -6.887 1.531 1.00 0.00 C ATOM 0 H LEU A 44 72.552 -8.753 4.375 1.00 0.00 H new ATOM 0 HA LEU A 44 71.913 -6.052 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.197 -8.520 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.978 -6.958 2.742 1.00 0.00 H new ATOM 0 HG LEU A 44 72.296 -8.881 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.463 -8.870 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.199 -9.412 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.157 -7.758 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.151 -7.198 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.847 -6.083 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.105 -6.533 2.365 1.00 0.00 H new ATOM 646 N LEU A 45 70.039 -7.610 6.196 1.00 0.00 N ATOM 647 CA LEU A 45 69.068 -7.351 7.275 1.00 0.00 C ATOM 648 C LEU A 45 69.573 -6.228 8.179 1.00 0.00 C ATOM 649 O LEU A 45 68.844 -5.290 8.501 1.00 0.00 O ATOM 650 CB LEU A 45 68.813 -8.590 8.150 1.00 0.00 C ATOM 651 CG LEU A 45 68.986 -9.950 7.473 1.00 0.00 C ATOM 652 CD1 LEU A 45 68.454 -11.047 8.397 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.209 -9.980 6.153 1.00 0.00 C ATOM 0 H LEU A 45 70.366 -8.574 6.130 1.00 0.00 H new ATOM 0 HA LEU A 45 68.134 -7.072 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.486 -8.547 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 45 67.797 -8.529 8.539 1.00 0.00 H new ATOM 0 HG LEU A 45 70.044 -10.117 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 45 68.576 -12.018 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 45 69.009 -11.034 9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.397 -10.872 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.338 -10.952 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.151 -9.809 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.585 -9.200 5.491 1.00 0.00 H new ATOM 665 N ASN A 46 70.836 -6.341 8.579 1.00 0.00 N ATOM 666 CA ASN A 46 71.445 -5.336 9.445 1.00 0.00 C ATOM 667 C ASN A 46 71.478 -3.984 8.741 1.00 0.00 C ATOM 668 O ASN A 46 70.994 -2.980 9.265 1.00 0.00 O ATOM 669 CB ASN A 46 72.878 -5.726 9.812 1.00 0.00 C ATOM 670 CG ASN A 46 72.917 -7.172 10.297 1.00 0.00 C ATOM 671 OD1 ASN A 46 73.807 -7.985 9.799 1.00 0.00 O flip ATOM 672 ND2 ASN A 46 72.122 -7.572 11.148 1.00 0.00 N flip ATOM 0 H ASN A 46 71.453 -7.111 8.320 1.00 0.00 H new ATOM 0 HA ASN A 46 70.843 -5.273 10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.529 -5.606 8.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.256 -5.063 10.590 1.00 0.00 H new ATOM 0 HD21 ASN A 46 71.427 -6.934 11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 46 72.159 -8.541 11.465 1.00 0.00 H new ATOM 679 N THR A 47 72.064 -3.971 7.544 1.00 0.00 N ATOM 680 CA THR A 47 72.170 -2.737 6.764 1.00 0.00 C ATOM 681 C THR A 47 70.796 -2.120 6.521 1.00 0.00 C ATOM 682 O THR A 47 70.562 -0.950 6.823 1.00 0.00 O ATOM 683 CB THR A 47 72.832 -3.014 5.412 1.00 0.00 C ATOM 684 OG1 THR A 47 73.756 -4.083 5.546 1.00 0.00 O ATOM 685 CG2 THR A 47 73.568 -1.763 4.941 1.00 0.00 C ATOM 0 H THR A 47 72.469 -4.793 7.096 1.00 0.00 H new ATOM 0 HA THR A 47 72.779 -2.039 7.338 1.00 0.00 H new ATOM 0 HB THR A 47 72.068 -3.284 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.283 -4.937 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.040 -1.959 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.859 -0.941 4.837 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.331 -1.493 5.671 1.00 0.00 H new ATOM 693 N VAL A 48 69.894 -2.921 5.969 1.00 0.00 N ATOM 694 CA VAL A 48 68.541 -2.449 5.681 1.00 0.00 C ATOM 695 C VAL A 48 67.842 -2.018 6.969 1.00 0.00 C ATOM 696 O VAL A 48 67.021 -1.102 6.968 1.00 0.00 O ATOM 697 CB VAL A 48 67.719 -3.553 5.002 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.349 -3.003 4.594 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.457 -4.045 3.753 1.00 0.00 C ATOM 0 H VAL A 48 70.070 -3.893 5.713 1.00 0.00 H new ATOM 0 HA VAL A 48 68.617 -1.594 5.009 1.00 0.00 H new ATOM 0 HB VAL A 48 67.585 -4.380 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.769 -3.791 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.819 -2.652 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.482 -2.174 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.873 -4.829 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.592 -3.215 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.431 -4.442 4.039 1.00 0.00 H new ATOM 709 N GLY A 49 68.179 -2.690 8.067 1.00 0.00 N ATOM 710 CA GLY A 49 67.579 -2.370 9.360 1.00 0.00 C ATOM 711 C GLY A 49 67.968 -0.963 9.807 1.00 0.00 C ATOM 712 O GLY A 49 67.158 -0.224 10.370 1.00 0.00 O ATOM 0 H GLY A 49 68.857 -3.452 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.494 -2.447 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.903 -3.096 10.106 1.00 0.00 H new ATOM 716 N ARG A 50 69.222 -0.602 9.555 1.00 0.00 N ATOM 717 CA ARG A 50 69.714 0.715 9.939 1.00 0.00 C ATOM 718 C ARG A 50 69.063 1.802 9.091 1.00 0.00 C ATOM 719 O ARG A 50 68.793 2.901 9.572 1.00 0.00 O ATOM 720 CB ARG A 50 71.232 0.792 9.771 1.00 0.00 C ATOM 721 CG ARG A 50 71.781 1.951 10.606 1.00 0.00 C ATOM 722 CD ARG A 50 73.164 1.581 11.146 1.00 0.00 C ATOM 723 NE ARG A 50 74.216 2.061 10.246 1.00 0.00 N ATOM 724 CZ ARG A 50 75.518 1.880 10.511 1.00 0.00 C ATOM 725 NH1 ARG A 50 75.912 1.260 11.598 1.00 0.00 N ATOM 726 NH2 ARG A 50 76.410 2.330 9.671 1.00 0.00 N ATOM 0 H ARG A 50 69.909 -1.196 9.091 1.00 0.00 H new ATOM 0 HA ARG A 50 69.457 0.873 10.986 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.691 -0.145 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.485 0.935 8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.846 2.853 9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.104 2.171 11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.301 2.014 12.137 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.239 0.499 11.257 1.00 0.00 H new ATOM 0 HE ARG A 50 73.949 2.548 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.223 0.905 12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 50 76.908 1.133 11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 50 76.114 2.814 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 50 77.403 2.198 9.862 1.00 0.00 H new ATOM 740 N ILE A 51 68.813 1.487 7.823 1.00 0.00 N ATOM 741 CA ILE A 51 68.193 2.455 6.923 1.00 0.00 C ATOM 742 C ILE A 51 66.735 2.681 7.312 1.00 0.00 C ATOM 743 O ILE A 51 66.278 3.816 7.404 1.00 0.00 O ATOM 744 CB ILE A 51 68.260 1.972 5.470 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.715 1.670 5.099 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.718 3.062 4.538 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.769 0.508 4.101 1.00 0.00 C ATOM 0 H ILE A 51 69.026 0.584 7.400 1.00 0.00 H new ATOM 0 HA ILE A 51 68.743 3.392 7.010 1.00 0.00 H new ATOM 0 HB ILE A 51 67.658 1.069 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 51 70.180 2.555 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 51 70.283 1.418 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.767 2.715 3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.683 3.281 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 51 68.319 3.965 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.807 0.299 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.322 -0.379 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.217 0.776 3.200 1.00 0.00 H new ATOM 759 N GLU A 52 66.008 1.592 7.538 1.00 0.00 N ATOM 760 CA GLU A 52 64.600 1.705 7.911 1.00 0.00 C ATOM 761 C GLU A 52 64.448 2.485 9.216 1.00 0.00 C ATOM 762 O GLU A 52 63.430 3.137 9.447 1.00 0.00 O ATOM 763 CB GLU A 52 63.962 0.321 8.071 1.00 0.00 C ATOM 764 CG GLU A 52 64.736 -0.488 9.111 1.00 0.00 C ATOM 765 CD GLU A 52 64.004 -1.796 9.388 1.00 0.00 C ATOM 766 OE1 GLU A 52 64.068 -2.677 8.546 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.391 -1.898 10.437 1.00 0.00 O ATOM 0 H GLU A 52 66.360 0.637 7.472 1.00 0.00 H new ATOM 0 HA GLU A 52 64.090 2.240 7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.921 0.423 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.963 -0.203 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.744 -0.693 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.837 0.086 10.032 1.00 0.00 H new ATOM 774 N ARG A 53 65.468 2.412 10.069 1.00 0.00 N ATOM 775 CA ARG A 53 65.422 3.121 11.346 1.00 0.00 C ATOM 776 C ARG A 53 65.990 4.530 11.202 1.00 0.00 C ATOM 777 O ARG A 53 65.441 5.493 11.738 1.00 0.00 O ATOM 778 CB ARG A 53 66.223 2.367 12.409 1.00 0.00 C ATOM 779 CG ARG A 53 65.656 2.680 13.794 1.00 0.00 C ATOM 780 CD ARG A 53 65.791 1.450 14.692 1.00 0.00 C ATOM 781 NE ARG A 53 65.593 1.813 16.098 1.00 0.00 N ATOM 782 CZ ARG A 53 66.503 2.515 16.788 1.00 0.00 C ATOM 783 NH1 ARG A 53 67.622 2.911 16.231 1.00 0.00 N ATOM 784 NH2 ARG A 53 66.270 2.810 18.038 1.00 0.00 N ATOM 0 H ARG A 53 66.322 1.879 9.904 1.00 0.00 H new ATOM 0 HA ARG A 53 64.378 3.183 11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.178 1.294 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.273 2.656 12.361 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.187 3.524 14.234 1.00 0.00 H new ATOM 0 HG3 ARG A 53 64.609 2.970 13.712 1.00 0.00 H new ATOM 0 HD2 ARG A 53 65.059 0.697 14.399 1.00 0.00 H new ATOM 0 HD3 ARG A 53 66.777 1.004 14.561 1.00 0.00 H new ATOM 0 HE ARG A 53 64.735 1.522 16.567 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.813 2.686 15.255 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.301 3.444 16.774 1.00 0.00 H new ATOM 0 HH21 ARG A 53 65.402 2.507 18.480 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.956 3.344 18.572 1.00 0.00 H new ATOM 798 N ASP A 54 67.097 4.638 10.476 1.00 0.00 N ATOM 799 CA ASP A 54 67.740 5.930 10.269 1.00 0.00 C ATOM 800 C ASP A 54 66.886 6.819 9.370 1.00 0.00 C ATOM 801 O ASP A 54 66.719 8.012 9.629 1.00 0.00 O ATOM 802 CB ASP A 54 69.112 5.741 9.622 1.00 0.00 C ATOM 803 CG ASP A 54 70.112 5.274 10.675 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.727 4.486 11.522 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.249 5.712 10.618 1.00 0.00 O ATOM 0 H ASP A 54 67.565 3.853 10.024 1.00 0.00 H new ATOM 0 HA ASP A 54 67.855 6.407 11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.048 5.010 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.448 6.677 9.176 1.00 0.00 H new ATOM 810 N TYR A 55 66.350 6.226 8.308 1.00 0.00 N ATOM 811 CA TYR A 55 65.515 6.972 7.370 1.00 0.00 C ATOM 812 C TYR A 55 64.043 6.896 7.777 1.00 0.00 C ATOM 813 O TYR A 55 63.253 7.783 7.452 1.00 0.00 O ATOM 814 CB TYR A 55 65.677 6.420 5.950 1.00 0.00 C ATOM 815 CG TYR A 55 67.052 6.768 5.430 1.00 0.00 C ATOM 816 CD1 TYR A 55 68.189 6.221 6.037 1.00 0.00 C ATOM 817 CD2 TYR A 55 67.191 7.638 4.341 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.464 6.544 5.556 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.466 7.960 3.860 1.00 0.00 C ATOM 820 CZ TYR A 55 69.602 7.414 4.468 1.00 0.00 C ATOM 821 OH TYR A 55 70.859 7.731 3.993 1.00 0.00 O ATOM 0 H TYR A 55 66.476 5.241 8.076 1.00 0.00 H new ATOM 0 HA TYR A 55 65.838 8.013 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.539 5.339 5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.912 6.839 5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 55 68.083 5.550 6.876 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.315 8.061 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 55 70.341 6.122 6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.573 8.630 3.020 1.00 0.00 H new ATOM 0 HH TYR A 55 70.777 8.346 3.234 1.00 0.00 H new ATOM 831 N GLY A 56 63.680 5.831 8.492 1.00 0.00 N ATOM 832 CA GLY A 56 62.298 5.664 8.935 1.00 0.00 C ATOM 833 C GLY A 56 61.449 5.033 7.837 1.00 0.00 C ATOM 834 O GLY A 56 60.278 5.372 7.664 1.00 0.00 O ATOM 0 H GLY A 56 64.313 5.082 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.271 5.038 9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.881 6.632 9.212 1.00 0.00 H new ATOM 838 N VAL A 57 62.053 4.110 7.097 1.00 0.00 N ATOM 839 CA VAL A 57 61.347 3.431 6.013 1.00 0.00 C ATOM 840 C VAL A 57 60.332 2.441 6.577 1.00 0.00 C ATOM 841 O VAL A 57 60.585 1.772 7.578 1.00 0.00 O ATOM 842 CB VAL A 57 62.336 2.675 5.118 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.604 2.132 3.888 1.00 0.00 C ATOM 844 CG2 VAL A 57 63.447 3.626 4.666 1.00 0.00 C ATOM 0 H VAL A 57 63.021 3.816 7.225 1.00 0.00 H new ATOM 0 HA VAL A 57 60.830 4.188 5.423 1.00 0.00 H new ATOM 0 HB VAL A 57 62.769 1.847 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.309 1.595 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.812 1.454 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 57 61.169 2.960 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 57 64.150 3.088 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 57 63.012 4.454 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.972 4.014 5.539 1.00 0.00 H new ATOM 854 N GLN A 58 59.179 2.356 5.920 1.00 0.00 N ATOM 855 CA GLN A 58 58.126 1.442 6.359 1.00 0.00 C ATOM 856 C GLN A 58 56.975 1.437 5.355 1.00 0.00 C ATOM 857 O GLN A 58 55.934 2.056 5.574 1.00 0.00 O ATOM 858 CB GLN A 58 57.595 1.855 7.733 1.00 0.00 C ATOM 859 CG GLN A 58 56.861 0.673 8.371 1.00 0.00 C ATOM 860 CD GLN A 58 57.822 -0.097 9.271 1.00 0.00 C ATOM 861 OE1 GLN A 58 58.432 0.477 10.174 1.00 0.00 O ATOM 862 NE2 GLN A 58 57.995 -1.376 9.078 1.00 0.00 N ATOM 0 H GLN A 58 58.950 2.902 5.090 1.00 0.00 H new ATOM 0 HA GLN A 58 58.553 0.441 6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 58 58.418 2.174 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 58 56.920 2.705 7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.010 1.030 8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 58 56.466 0.016 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 58 57.490 -1.852 8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 58 58.635 -1.900 9.675 1.00 0.00 H new ATOM 871 N LEU A 59 57.180 0.731 4.248 1.00 0.00 N ATOM 872 CA LEU A 59 56.157 0.648 3.206 1.00 0.00 C ATOM 873 C LEU A 59 55.696 -0.796 3.005 1.00 0.00 C ATOM 874 O LEU A 59 54.522 -1.053 2.735 1.00 0.00 O ATOM 875 CB LEU A 59 56.694 1.200 1.879 1.00 0.00 C ATOM 876 CG LEU A 59 57.754 0.340 1.180 1.00 0.00 C ATOM 877 CD1 LEU A 59 57.902 0.796 -0.274 1.00 0.00 C ATOM 878 CD2 LEU A 59 59.099 0.489 1.903 1.00 0.00 C ATOM 0 H LEU A 59 58.035 0.212 4.048 1.00 0.00 H new ATOM 0 HA LEU A 59 55.306 1.248 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 59 55.855 1.335 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.117 2.188 2.062 1.00 0.00 H new ATOM 0 HG LEU A 59 57.446 -0.705 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.655 0.185 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.948 0.686 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.209 1.842 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.850 -0.123 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.410 1.534 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.994 0.163 2.938 1.00 0.00 H new ATOM 890 N GLY A 60 56.630 -1.736 3.137 1.00 0.00 N ATOM 891 CA GLY A 60 56.305 -3.146 2.967 1.00 0.00 C ATOM 892 C GLY A 60 57.348 -4.028 3.645 1.00 0.00 C ATOM 893 O GLY A 60 58.539 -3.956 3.339 1.00 0.00 O ATOM 0 H GLY A 60 57.608 -1.547 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.321 -3.350 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.254 -3.387 1.905 1.00 0.00 H new ATOM 897 N ASP A 61 56.886 -4.858 4.574 1.00 0.00 N ATOM 898 CA ASP A 61 57.782 -5.753 5.301 1.00 0.00 C ATOM 899 C ASP A 61 58.458 -6.734 4.347 1.00 0.00 C ATOM 900 O ASP A 61 59.627 -7.079 4.514 1.00 0.00 O ATOM 901 CB ASP A 61 57.008 -6.541 6.360 1.00 0.00 C ATOM 902 CG ASP A 61 56.363 -5.571 7.344 1.00 0.00 C ATOM 903 OD1 ASP A 61 55.244 -5.155 7.088 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.996 -5.259 8.339 1.00 0.00 O ATOM 0 H ASP A 61 55.904 -4.931 4.841 1.00 0.00 H new ATOM 0 HA ASP A 61 58.543 -5.141 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.244 -7.156 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 61 57.679 -7.218 6.888 1.00 0.00 H new ATOM 909 N ASP A 62 57.709 -7.179 3.343 1.00 0.00 N ATOM 910 CA ASP A 62 58.248 -8.124 2.371 1.00 0.00 C ATOM 911 C ASP A 62 59.130 -7.432 1.328 1.00 0.00 C ATOM 912 O ASP A 62 59.675 -8.085 0.439 1.00 0.00 O ATOM 913 CB ASP A 62 57.118 -8.861 1.651 1.00 0.00 C ATOM 914 CG ASP A 62 56.147 -7.849 1.054 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.410 -7.379 -0.041 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.153 -7.560 1.699 1.00 0.00 O ATOM 0 H ASP A 62 56.740 -6.905 3.182 1.00 0.00 H new ATOM 0 HA ASP A 62 58.859 -8.833 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.527 -9.495 0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.594 -9.515 2.348 1.00 0.00 H new ATOM 921 N ALA A 63 59.286 -6.110 1.445 1.00 0.00 N ATOM 922 CA ALA A 63 60.125 -5.368 0.508 1.00 0.00 C ATOM 923 C ALA A 63 61.545 -5.918 0.531 1.00 0.00 C ATOM 924 O ALA A 63 62.243 -5.930 -0.483 1.00 0.00 O ATOM 925 CB ALA A 63 60.164 -3.891 0.890 1.00 0.00 C ATOM 0 H ALA A 63 58.848 -5.541 2.169 1.00 0.00 H new ATOM 0 HA ALA A 63 59.703 -5.477 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 63 60.793 -3.349 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.154 -3.482 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.573 -3.786 1.895 1.00 0.00 H new ATOM 931 N VAL A 64 61.958 -6.385 1.706 1.00 0.00 N ATOM 932 CA VAL A 64 63.295 -6.949 1.857 1.00 0.00 C ATOM 933 C VAL A 64 63.396 -8.280 1.113 1.00 0.00 C ATOM 934 O VAL A 64 64.476 -8.679 0.676 1.00 0.00 O ATOM 935 CB VAL A 64 63.630 -7.175 3.334 1.00 0.00 C ATOM 936 CG1 VAL A 64 63.778 -5.823 4.035 1.00 0.00 C ATOM 937 CG2 VAL A 64 62.509 -7.978 4.003 1.00 0.00 C ATOM 0 H VAL A 64 61.395 -6.385 2.556 1.00 0.00 H new ATOM 0 HA VAL A 64 64.006 -6.238 1.436 1.00 0.00 H new ATOM 0 HB VAL A 64 64.565 -7.731 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.016 -5.983 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.579 -5.254 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 64 62.844 -5.268 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.752 -8.136 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 64 61.571 -7.427 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.405 -8.942 3.505 1.00 0.00 H new ATOM 947 N GLU A 65 62.259 -8.962 0.968 1.00 0.00 N ATOM 948 CA GLU A 65 62.239 -10.242 0.271 1.00 0.00 C ATOM 949 C GLU A 65 62.477 -10.036 -1.222 1.00 0.00 C ATOM 950 O GLU A 65 63.399 -10.608 -1.804 1.00 0.00 O ATOM 951 CB GLU A 65 60.892 -10.940 0.469 1.00 0.00 C ATOM 952 CG GLU A 65 61.049 -12.438 0.205 1.00 0.00 C ATOM 953 CD GLU A 65 61.698 -13.103 1.414 1.00 0.00 C ATOM 954 OE1 GLU A 65 61.013 -13.273 2.409 1.00 0.00 O ATOM 955 OE2 GLU A 65 62.869 -13.434 1.326 1.00 0.00 O ATOM 0 H GLU A 65 61.353 -8.652 1.320 1.00 0.00 H new ATOM 0 HA GLU A 65 63.033 -10.864 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.531 -10.775 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.149 -10.517 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.076 -12.887 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.660 -12.599 -0.683 1.00 0.00 H new ATOM 962 N LYS A 66 61.633 -9.210 -1.834 1.00 0.00 N ATOM 963 CA LYS A 66 61.755 -8.928 -3.260 1.00 0.00 C ATOM 964 C LYS A 66 63.082 -8.235 -3.558 1.00 0.00 C ATOM 965 O LYS A 66 63.659 -8.404 -4.632 1.00 0.00 O ATOM 966 CB LYS A 66 60.608 -8.030 -3.729 1.00 0.00 C ATOM 967 CG LYS A 66 59.279 -8.767 -3.556 1.00 0.00 C ATOM 968 CD LYS A 66 58.267 -8.240 -4.575 1.00 0.00 C ATOM 969 CE LYS A 66 58.677 -8.685 -5.979 1.00 0.00 C ATOM 970 NZ LYS A 66 57.520 -8.530 -6.908 1.00 0.00 N ATOM 0 H LYS A 66 60.864 -8.728 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 66 61.714 -9.878 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.599 -7.103 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.751 -7.756 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.425 -9.839 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.900 -8.624 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.270 -8.614 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.219 -7.152 -4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 66 59.520 -8.090 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 66 59.006 -9.724 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 57.799 -8.833 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 56.728 -9.116 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 57.226 -7.533 -6.933 1.00 0.00 H new ATOM 984 N ALA A 67 63.557 -7.449 -2.594 1.00 0.00 N ATOM 985 CA ALA A 67 64.820 -6.726 -2.760 1.00 0.00 C ATOM 986 C ALA A 67 65.970 -7.690 -3.051 1.00 0.00 C ATOM 987 O ALA A 67 66.537 -8.296 -2.144 1.00 0.00 O ATOM 988 CB ALA A 67 65.154 -5.935 -1.495 1.00 0.00 C ATOM 0 H ALA A 67 63.094 -7.296 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 67 64.698 -6.045 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.095 -5.404 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.359 -5.217 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.246 -6.619 -0.652 1.00 0.00 H new ATOM 994 N THR A 68 66.308 -7.814 -4.332 1.00 0.00 N ATOM 995 CA THR A 68 67.395 -8.686 -4.749 1.00 0.00 C ATOM 996 C THR A 68 68.621 -7.856 -5.084 1.00 0.00 C ATOM 997 O THR A 68 69.754 -8.258 -4.837 1.00 0.00 O ATOM 998 CB THR A 68 66.989 -9.474 -5.987 1.00 0.00 C ATOM 999 OG1 THR A 68 66.621 -8.573 -7.025 1.00 0.00 O ATOM 1000 CG2 THR A 68 65.811 -10.375 -5.643 1.00 0.00 C ATOM 0 H THR A 68 65.844 -7.322 -5.095 1.00 0.00 H new ATOM 0 HA THR A 68 67.620 -9.373 -3.933 1.00 0.00 H new ATOM 0 HB THR A 68 67.826 -10.085 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 68 66.361 -9.081 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.516 -10.942 -6.526 1.00 0.00 H new ATOM 0 HG22 THR A 68 66.100 -11.064 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 68 64.973 -9.765 -5.307 1.00 0.00 H new ATOM 1008 N THR A 69 68.373 -6.684 -5.651 1.00 0.00 N ATOM 1009 CA THR A 69 69.455 -5.782 -6.024 1.00 0.00 C ATOM 1010 C THR A 69 69.453 -4.569 -5.091 1.00 0.00 C ATOM 1011 O THR A 69 68.491 -4.354 -4.354 1.00 0.00 O ATOM 1012 CB THR A 69 69.277 -5.291 -7.473 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.951 -5.558 -7.909 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.265 -6.007 -8.393 1.00 0.00 C ATOM 0 H THR A 69 67.438 -6.336 -5.862 1.00 0.00 H new ATOM 0 HA THR A 69 70.398 -6.322 -5.942 1.00 0.00 H new ATOM 0 HB THR A 69 69.465 -4.218 -7.508 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.840 -5.243 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 69 70.132 -5.654 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.284 -5.798 -8.066 1.00 0.00 H new ATOM 0 HG23 THR A 69 70.085 -7.081 -8.354 1.00 0.00 H new ATOM 1022 N PRO A 70 70.508 -3.741 -5.124 1.00 0.00 N ATOM 1023 CA PRO A 70 70.562 -2.542 -4.273 1.00 0.00 C ATOM 1024 C PRO A 70 69.538 -1.513 -4.726 1.00 0.00 C ATOM 1025 O PRO A 70 68.941 -0.809 -3.914 1.00 0.00 O ATOM 1026 CB PRO A 70 71.990 -2.050 -4.470 1.00 0.00 C ATOM 1027 CG PRO A 70 72.460 -2.619 -5.797 1.00 0.00 C ATOM 1028 CD PRO A 70 71.687 -3.923 -6.005 1.00 0.00 C ATOM 0 HA PRO A 70 70.325 -2.734 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.028 -0.961 -4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.632 -2.384 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.267 -1.919 -6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.534 -2.802 -5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.398 -4.062 -7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.276 -4.794 -5.719 1.00 0.00 H new ATOM 1036 N ARG A 71 69.318 -1.462 -6.039 1.00 0.00 N ATOM 1037 CA ARG A 71 68.334 -0.542 -6.597 1.00 0.00 C ATOM 1038 C ARG A 71 66.942 -0.862 -6.045 1.00 0.00 C ATOM 1039 O ARG A 71 66.084 0.016 -5.946 1.00 0.00 O ATOM 1040 CB ARG A 71 68.303 -0.648 -8.121 1.00 0.00 C ATOM 1041 CG ARG A 71 69.685 -0.316 -8.684 1.00 0.00 C ATOM 1042 CD ARG A 71 69.836 1.201 -8.803 1.00 0.00 C ATOM 1043 NE ARG A 71 70.730 1.545 -9.911 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.913 2.810 -10.314 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.294 3.807 -9.728 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.722 3.054 -11.308 1.00 0.00 N ATOM 0 H ARG A 71 69.802 -2.040 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 71 68.618 0.472 -6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 71 68.009 -1.654 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.559 0.036 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.461 -0.719 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.813 -0.783 -9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.859 1.658 -8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.230 1.607 -7.871 1.00 0.00 H new ATOM 0 HE ARG A 71 71.230 0.797 -10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.659 3.627 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.447 4.763 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.208 2.286 -11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.868 4.013 -11.623 1.00 0.00 H new ATOM 1060 N ALA A 72 66.732 -2.130 -5.676 1.00 0.00 N ATOM 1061 CA ALA A 72 65.445 -2.547 -5.127 1.00 0.00 C ATOM 1062 C ALA A 72 65.219 -1.883 -3.776 1.00 0.00 C ATOM 1063 O ALA A 72 64.224 -1.192 -3.562 1.00 0.00 O ATOM 1064 CB ALA A 72 65.400 -4.065 -4.952 1.00 0.00 C ATOM 0 H ALA A 72 67.427 -2.873 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 72 64.662 -2.245 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.433 -4.355 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.544 -4.547 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.191 -4.376 -4.270 1.00 0.00 H new ATOM 1070 N LEU A 73 66.169 -2.093 -2.868 1.00 0.00 N ATOM 1071 CA LEU A 73 66.089 -1.503 -1.527 1.00 0.00 C ATOM 1072 C LEU A 73 65.918 0.009 -1.629 1.00 0.00 C ATOM 1073 O LEU A 73 65.116 0.612 -0.916 1.00 0.00 O ATOM 1074 CB LEU A 73 67.359 -1.797 -0.730 1.00 0.00 C ATOM 1075 CG LEU A 73 67.737 -3.272 -0.634 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.122 -3.404 0.003 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.709 -4.004 0.230 1.00 0.00 C ATOM 0 H LEU A 73 66.999 -2.663 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 73 65.231 -1.943 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.188 -1.254 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.235 -1.403 0.279 1.00 0.00 H new ATOM 0 HG LEU A 73 67.753 -3.709 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.392 -4.458 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.856 -2.881 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.106 -2.968 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.977 -5.058 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.695 -3.566 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.721 -3.910 -0.221 1.00 0.00 H new ATOM 1089 N ILE A 74 66.678 0.610 -2.538 1.00 0.00 N ATOM 1090 CA ILE A 74 66.596 2.052 -2.745 1.00 0.00 C ATOM 1091 C ILE A 74 65.203 2.416 -3.256 1.00 0.00 C ATOM 1092 O ILE A 74 64.643 3.448 -2.895 1.00 0.00 O ATOM 1093 CB ILE A 74 67.654 2.515 -3.760 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.048 2.177 -3.230 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.558 4.031 -3.972 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.074 2.353 -4.352 1.00 0.00 C ATOM 0 H ILE A 74 67.350 0.129 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 74 66.783 2.552 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 74 67.478 2.006 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.297 2.825 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.070 1.152 -2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.312 4.346 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.567 4.284 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.726 4.542 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.069 2.113 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.827 1.687 -5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.058 3.385 -4.701 1.00 0.00 H new ATOM 1108 N GLU A 75 64.649 1.549 -4.099 1.00 0.00 N ATOM 1109 CA GLU A 75 63.320 1.792 -4.651 1.00 0.00 C ATOM 1110 C GLU A 75 62.278 1.818 -3.539 1.00 0.00 C ATOM 1111 O GLU A 75 61.476 2.746 -3.439 1.00 0.00 O ATOM 1112 CB GLU A 75 62.949 0.704 -5.665 1.00 0.00 C ATOM 1113 CG GLU A 75 63.351 1.158 -7.070 1.00 0.00 C ATOM 1114 CD GLU A 75 62.478 0.452 -8.102 1.00 0.00 C ATOM 1115 OE1 GLU A 75 62.828 -0.650 -8.491 1.00 0.00 O ATOM 1116 OE2 GLU A 75 61.473 1.025 -8.489 1.00 0.00 O ATOM 0 H GLU A 75 65.092 0.685 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 75 63.337 2.759 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.454 -0.229 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 75 61.878 0.507 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 75 63.238 2.238 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 75 64.402 0.931 -7.250 1.00 0.00 H new ATOM 1123 N MET A 76 62.302 0.786 -2.702 1.00 0.00 N ATOM 1124 CA MET A 76 61.357 0.692 -1.596 1.00 0.00 C ATOM 1125 C MET A 76 61.625 1.789 -0.567 1.00 0.00 C ATOM 1126 O MET A 76 60.701 2.311 0.058 1.00 0.00 O ATOM 1127 CB MET A 76 61.462 -0.678 -0.921 1.00 0.00 C ATOM 1128 CG MET A 76 62.893 -0.913 -0.433 1.00 0.00 C ATOM 1129 SD MET A 76 62.976 -2.478 0.470 1.00 0.00 S ATOM 1130 CE MET A 76 62.824 -1.787 2.136 1.00 0.00 C ATOM 0 H MET A 76 62.960 0.009 -2.767 1.00 0.00 H new ATOM 0 HA MET A 76 60.351 0.819 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 76 60.769 -0.733 -0.081 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.175 -1.461 -1.623 1.00 0.00 H new ATOM 0 HG2 MET A 76 63.578 -0.934 -1.280 1.00 0.00 H new ATOM 0 HG3 MET A 76 63.208 -0.092 0.212 1.00 0.00 H new ATOM 0 HE1 MET A 76 62.852 -2.594 2.868 1.00 0.00 H new ATOM 0 HE2 MET A 76 63.649 -1.100 2.322 1.00 0.00 H new ATOM 0 HE3 MET A 76 61.879 -1.251 2.223 1.00 0.00 H new ATOM 1140 N THR A 77 62.900 2.133 -0.396 1.00 0.00 N ATOM 1141 CA THR A 77 63.276 3.168 0.563 1.00 0.00 C ATOM 1142 C THR A 77 62.930 4.550 0.015 1.00 0.00 C ATOM 1143 O THR A 77 62.577 5.458 0.763 1.00 0.00 O ATOM 1144 CB THR A 77 64.779 3.105 0.862 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.120 1.790 1.271 1.00 0.00 O ATOM 1146 CG2 THR A 77 65.134 4.094 1.978 1.00 0.00 C ATOM 0 H THR A 77 63.681 1.716 -0.902 1.00 0.00 H new ATOM 0 HA THR A 77 62.720 2.993 1.484 1.00 0.00 H new ATOM 0 HB THR A 77 65.335 3.368 -0.038 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.477 1.292 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.203 4.042 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.873 5.105 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.578 3.839 2.880 1.00 0.00 H new ATOM 1154 N ASN A 78 63.036 4.700 -1.299 1.00 0.00 N ATOM 1155 CA ASN A 78 62.730 5.979 -1.935 1.00 0.00 C ATOM 1156 C ASN A 78 61.224 6.145 -2.101 1.00 0.00 C ATOM 1157 O ASN A 78 60.701 7.254 -2.042 1.00 0.00 O ATOM 1158 CB ASN A 78 63.384 6.062 -3.314 1.00 0.00 C ATOM 1159 CG ASN A 78 64.819 6.556 -3.171 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.138 7.681 -3.550 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.712 5.774 -2.641 1.00 0.00 N ATOM 0 H ASN A 78 63.328 3.963 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 78 63.120 6.771 -1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.372 5.083 -3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.818 6.738 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.675 6.094 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.450 4.840 -2.326 1.00 0.00 H new ATOM 1168 N ALA A 79 60.544 5.025 -2.319 1.00 0.00 N ATOM 1169 CA ALA A 79 59.097 5.035 -2.512 1.00 0.00 C ATOM 1170 C ALA A 79 58.375 5.403 -1.221 1.00 0.00 C ATOM 1171 O ALA A 79 57.357 6.095 -1.235 1.00 0.00 O ATOM 1172 CB ALA A 79 58.618 3.656 -2.967 1.00 0.00 C ATOM 0 H ALA A 79 60.970 4.099 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 79 58.869 5.781 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.537 3.674 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.102 3.395 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 79 58.872 2.914 -2.210 1.00 0.00 H new ATOM 1178 N SER A 80 58.910 4.928 -0.105 1.00 0.00 N ATOM 1179 CA SER A 80 58.309 5.205 1.188 1.00 0.00 C ATOM 1180 C SER A 80 58.630 6.631 1.620 1.00 0.00 C ATOM 1181 O SER A 80 57.768 7.353 2.123 1.00 0.00 O ATOM 1182 CB SER A 80 58.816 4.206 2.233 1.00 0.00 C ATOM 1183 OG SER A 80 60.072 4.630 2.744 1.00 0.00 O ATOM 0 H SER A 80 59.752 4.354 -0.070 1.00 0.00 H new ATOM 0 HA SER A 80 57.227 5.100 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.094 4.120 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 80 58.912 3.217 1.785 1.00 0.00 H new ATOM 0 HG SER A 80 59.941 5.069 3.610 1.00 0.00 H new ATOM 1189 N LEU A 81 59.879 7.033 1.407 1.00 0.00 N ATOM 1190 CA LEU A 81 60.305 8.377 1.763 1.00 0.00 C ATOM 1191 C LEU A 81 59.571 9.413 0.918 1.00 0.00 C ATOM 1192 O LEU A 81 59.023 10.383 1.441 1.00 0.00 O ATOM 1193 CB LEU A 81 61.813 8.521 1.543 1.00 0.00 C ATOM 1194 CG LEU A 81 62.728 7.975 2.662 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.066 6.813 3.420 1.00 0.00 C ATOM 1196 CD2 LEU A 81 64.043 7.489 2.046 1.00 0.00 C ATOM 0 H LEU A 81 60.607 6.451 0.993 1.00 0.00 H new ATOM 0 HA LEU A 81 60.070 8.545 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.072 8.015 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.038 9.578 1.404 1.00 0.00 H new ATOM 0 HG LEU A 81 62.912 8.782 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 81 62.740 6.456 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 61.137 7.157 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.851 6.001 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 81 64.692 7.103 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 81 63.837 6.698 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 81 64.538 8.319 1.542 1.00 0.00 H new ATOM 1208 N THR A 82 59.566 9.198 -0.395 1.00 0.00 N ATOM 1209 CA THR A 82 58.890 10.129 -1.299 1.00 0.00 C ATOM 1210 C THR A 82 57.392 10.184 -0.993 1.00 0.00 C ATOM 1211 O THR A 82 56.745 11.217 -1.168 1.00 0.00 O ATOM 1212 CB THR A 82 59.103 9.726 -2.769 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.536 10.718 -3.612 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.440 8.375 -3.058 1.00 0.00 C ATOM 0 H THR A 82 60.013 8.403 -0.852 1.00 0.00 H new ATOM 0 HA THR A 82 59.324 11.117 -1.142 1.00 0.00 H new ATOM 0 HB THR A 82 60.173 9.639 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.671 10.466 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.601 8.107 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 82 58.877 7.611 -2.415 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.370 8.446 -2.863 1.00 0.00 H new ATOM 1222 N GLY A 83 56.852 9.055 -0.536 1.00 0.00 N ATOM 1223 CA GLY A 83 55.427 8.973 -0.208 1.00 0.00 C ATOM 1224 C GLY A 83 55.019 10.046 0.802 1.00 0.00 C ATOM 1225 O GLY A 83 53.852 10.432 0.875 1.00 0.00 O ATOM 0 H GLY A 83 57.373 8.191 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.837 9.085 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.203 7.987 0.198 1.00 0.00 H new ATOM 1229 N ALA A 84 55.988 10.522 1.584 1.00 0.00 N ATOM 1230 CA ALA A 84 55.711 11.550 2.588 1.00 0.00 C ATOM 1231 C ALA A 84 55.122 12.800 1.936 1.00 0.00 C ATOM 1232 O ALA A 84 54.326 13.517 2.543 1.00 0.00 O ATOM 1233 CB ALA A 84 56.993 11.932 3.328 1.00 0.00 C ATOM 0 H ALA A 84 56.960 10.217 1.543 1.00 0.00 H new ATOM 0 HA ALA A 84 54.989 11.139 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 84 56.770 12.698 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 84 57.402 11.052 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 84 57.722 12.319 2.616 1.00 0.00 H new ATOM 1239 N SER A 85 55.524 13.052 0.694 1.00 0.00 N ATOM 1240 CA SER A 85 55.029 14.218 -0.033 1.00 0.00 C ATOM 1241 C SER A 85 54.560 13.813 -1.437 1.00 0.00 C ATOM 1242 O SER A 85 55.108 12.884 -2.030 1.00 0.00 O ATOM 1243 CB SER A 85 56.128 15.273 -0.162 1.00 0.00 C ATOM 1244 OG SER A 85 55.695 16.300 -1.044 1.00 0.00 O ATOM 0 H SER A 85 56.183 12.473 0.174 1.00 0.00 H new ATOM 0 HA SER A 85 54.190 14.633 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 85 56.361 15.693 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 85 57.043 14.817 -0.539 1.00 0.00 H new ATOM 0 HG SER A 85 56.398 16.978 -1.127 1.00 0.00 H new ATOM 1250 N PRO A 86 53.542 14.497 -1.989 1.00 0.00 N ATOM 1251 CA PRO A 86 53.027 14.173 -3.332 1.00 0.00 C ATOM 1252 C PRO A 86 53.858 14.803 -4.448 1.00 0.00 C ATOM 1253 O PRO A 86 54.388 14.109 -5.315 1.00 0.00 O ATOM 1254 CB PRO A 86 51.627 14.774 -3.297 1.00 0.00 C ATOM 1255 CG PRO A 86 51.637 15.875 -2.241 1.00 0.00 C ATOM 1256 CD PRO A 86 52.841 15.622 -1.326 1.00 0.00 C ATOM 0 HA PRO A 86 53.053 13.104 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 86 51.357 15.179 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 86 50.887 14.012 -3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 86 51.711 16.856 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 86 50.710 15.865 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 86 53.478 16.503 -1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 86 52.530 15.362 -0.314 1.00 0.00 H new ATOM 1264 N SER A 87 53.967 16.129 -4.412 1.00 0.00 N ATOM 1265 CA SER A 87 54.736 16.848 -5.423 1.00 0.00 C ATOM 1266 C SER A 87 55.233 18.177 -4.866 1.00 0.00 C ATOM 1267 O SER A 87 54.447 19.072 -4.558 1.00 0.00 O ATOM 1268 CB SER A 87 53.876 17.117 -6.659 1.00 0.00 C ATOM 1269 OG SER A 87 54.715 17.514 -7.736 1.00 0.00 O ATOM 0 H SER A 87 53.537 16.722 -3.702 1.00 0.00 H new ATOM 0 HA SER A 87 55.588 16.228 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 87 53.317 16.221 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 87 53.145 17.897 -6.445 1.00 0.00 H new ATOM 0 HG SER A 87 54.168 17.686 -8.531 1.00 0.00 H new ATOM 1275 N ALA A 88 56.554 18.295 -4.739 1.00 0.00 N ATOM 1276 CA ALA A 88 57.157 19.519 -4.214 1.00 0.00 C ATOM 1277 C ALA A 88 56.675 19.784 -2.791 1.00 0.00 C ATOM 1278 O ALA A 88 55.580 20.303 -2.577 1.00 0.00 O ATOM 1279 CB ALA A 88 56.794 20.718 -5.094 1.00 0.00 C ATOM 0 H ALA A 88 57.222 17.566 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 88 58.239 19.385 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.252 21.620 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.160 20.550 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 88 55.711 20.839 -5.115 1.00 0.00 H new ATOM 1285 N GLY A 89 57.508 19.420 -1.821 1.00 0.00 N ATOM 1286 CA GLY A 89 57.161 19.621 -0.417 1.00 0.00 C ATOM 1287 C GLY A 89 58.391 19.468 0.470 1.00 0.00 C ATOM 1288 O GLY A 89 58.419 18.641 1.381 1.00 0.00 O ATOM 0 H GLY A 89 58.419 18.989 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 89 56.731 20.613 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 89 56.400 18.900 -0.119 1.00 0.00 H new ATOM 1292 N GLY A 90 59.409 20.278 0.194 1.00 0.00 N ATOM 1293 CA GLY A 90 60.643 20.227 0.974 1.00 0.00 C ATOM 1294 C GLY A 90 61.861 20.186 0.057 1.00 0.00 C ATOM 1295 O GLY A 90 61.935 20.912 -0.934 1.00 0.00 O ATOM 0 H GLY A 90 59.406 20.970 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 90 60.702 21.098 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 90 60.636 19.347 1.617 1.00 0.00 H new ATOM 1299 N ALA A 91 62.817 19.326 0.402 1.00 0.00 N ATOM 1300 CA ALA A 91 64.036 19.192 -0.394 1.00 0.00 C ATOM 1301 C ALA A 91 64.793 20.517 -0.439 1.00 0.00 C ATOM 1302 O ALA A 91 65.443 20.846 -1.431 1.00 0.00 O ATOM 1303 CB ALA A 91 63.701 18.759 -1.823 1.00 0.00 C ATOM 0 H ALA A 91 62.773 18.717 1.219 1.00 0.00 H new ATOM 0 HA ALA A 91 64.661 18.433 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 91 64.621 18.665 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 91 63.187 17.798 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 91 63.056 19.505 -2.288 1.00 0.00 H new ATOM 1309 N ALA A 92 64.699 21.274 0.650 1.00 0.00 N ATOM 1310 CA ALA A 92 65.376 22.564 0.732 1.00 0.00 C ATOM 1311 C ALA A 92 65.349 23.090 2.163 1.00 0.00 C ATOM 1312 O ALA A 92 64.427 23.802 2.562 1.00 0.00 O ATOM 1313 CB ALA A 92 64.698 23.584 -0.185 1.00 0.00 C ATOM 0 H ALA A 92 64.165 21.020 1.481 1.00 0.00 H new ATOM 0 HA ALA A 92 66.409 22.421 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 92 65.216 24.540 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 92 64.736 23.229 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 92 63.658 23.710 0.117 1.00 0.00 H new ATOM 1319 N ARG A 93 66.372 22.728 2.933 1.00 0.00 N ATOM 1320 CA ARG A 93 66.459 23.166 4.323 1.00 0.00 C ATOM 1321 C ARG A 93 67.890 23.565 4.667 1.00 0.00 C ATOM 1322 O ARG A 93 68.732 22.718 4.968 1.00 0.00 O ATOM 1323 CB ARG A 93 66.013 22.046 5.265 1.00 0.00 C ATOM 1324 CG ARG A 93 64.533 21.741 5.032 1.00 0.00 C ATOM 1325 CD ARG A 93 64.089 20.595 5.946 1.00 0.00 C ATOM 1326 NE ARG A 93 64.767 19.346 5.583 1.00 0.00 N ATOM 1327 CZ ARG A 93 65.946 18.985 6.114 1.00 0.00 C ATOM 1328 NH1 ARG A 93 66.569 19.739 6.987 1.00 0.00 N ATOM 1329 NH2 ARG A 93 66.488 17.855 5.747 1.00 0.00 N ATOM 0 H ARG A 93 67.145 22.139 2.622 1.00 0.00 H new ATOM 0 HA ARG A 93 65.802 24.027 4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 93 66.611 21.151 5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 93 66.175 22.342 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 93 63.934 22.630 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 93 64.368 21.471 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 93 64.310 20.845 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 93 63.010 20.463 5.872 1.00 0.00 H new ATOM 0 HE ARG A 93 64.326 18.728 4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 93 66.159 20.626 7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 93 67.464 19.439 7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 93 66.016 17.260 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 93 67.383 17.567 6.141 1.00 0.00 H new ATOM 1343 N ASP A 94 68.156 24.867 4.620 1.00 0.00 N ATOM 1344 CA ASP A 94 69.490 25.373 4.930 1.00 0.00 C ATOM 1345 C ASP A 94 69.848 25.077 6.382 1.00 0.00 C ATOM 1346 O ASP A 94 70.883 24.477 6.672 1.00 0.00 O ATOM 1347 CB ASP A 94 69.557 26.885 4.698 1.00 0.00 C ATOM 1348 CG ASP A 94 71.015 27.329 4.661 1.00 0.00 C ATOM 1349 OD1 ASP A 94 71.710 26.939 3.738 1.00 0.00 O ATOM 1350 OD2 ASP A 94 71.416 28.054 5.557 1.00 0.00 O ATOM 0 H ASP A 94 67.474 25.584 4.373 1.00 0.00 H new ATOM 0 HA ASP A 94 70.200 24.873 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 94 69.063 27.142 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 94 69.026 27.410 5.492 1.00 0.00 H new ATOM 1355 N LYS A 95 68.978 25.507 7.293 1.00 0.00 N ATOM 1356 CA LYS A 95 69.205 25.286 8.720 1.00 0.00 C ATOM 1357 C LYS A 95 70.496 25.964 9.167 1.00 0.00 C ATOM 1358 O LYS A 95 70.880 25.768 10.309 1.00 0.00 O ATOM 1359 CB LYS A 95 69.296 23.789 9.025 1.00 0.00 C ATOM 1360 CG LYS A 95 67.900 23.244 9.332 1.00 0.00 C ATOM 1361 CD LYS A 95 67.567 23.491 10.805 1.00 0.00 C ATOM 1362 CE LYS A 95 66.052 23.423 11.005 1.00 0.00 C ATOM 1363 NZ LYS A 95 65.444 24.736 10.643 1.00 0.00 N ATOM 1364 OXT LYS A 95 71.082 26.669 8.361 1.00 0.00 O ATOM 0 H LYS A 95 68.116 26.006 7.072 1.00 0.00 H new ATOM 0 HA LYS A 95 68.363 25.715 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 95 69.726 23.259 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 95 69.959 23.620 9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 95 67.161 23.729 8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 95 67.858 22.177 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 95 68.061 22.747 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 95 67.942 24.467 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 95 65.628 22.631 10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 95 65.822 23.177 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 64.414 24.691 10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 65.841 25.481 11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 65.653 24.953 9.647 1.00 0.00 H new TER 1378 LYS A 95