USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 841 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 83 SER OG : rot 157:sc= -1.7! USER MOD Set 1.2: A 86 SER OG : rot -150:sc= 0.175! USER MOD Set 1.3: A 89 SER OG : rot 163:sc= -0.503 USER MOD Set 1.4: A 116 GLN : amide:sc= -0.856! C(o=-2.9!,f=-12!) USER MOD Set 2.1: A 105 CYS SG : rot 180:sc= -0.15 USER MOD Set 2.2: A 108 THR OG1 : rot 180:sc= -0.781 USER MOD Set 3.1: A 43 THR OG1 : rot 76:sc= 0.6 USER MOD Set 3.2: A 52 THR OG1 : rot 170:sc= -1.15 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= -1.67 USER MOD Single : A 16 LYS NZ :NH3+ 139:sc= -10! (180deg=-12!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -7.41! USER MOD Single : A 22 SER OG : rot -83:sc= -1.13! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.647 USER MOD Single : A 25 THR OG1 : rot -70:sc= 0.895 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.47 F(o=-7!,f=-3.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -6:sc= 0.785! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.016 F(o=-0.6,f=-0.016) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -155:sc= -0.235 (180deg=-1.55!) USER MOD Single : A 51 TYR OH : rot -120:sc= -1.29 USER MOD Single : A 58 THR OG1 : rot -100:sc= -0.732 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 75 THR OG1 : rot 160:sc= 0 USER MOD Single : A 81 CYS SG : rot -146:sc= -6.83! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.389 K(o=0.39,f=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= -5.49! (180deg=-5.51!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 69:sc= 0.745 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 104 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 123:sc= -2.68 USER MOD Single : A 138 THR OG1 : rot -54:sc= -2.72 USER MOD Single : A 141 THR OG1 : rot -150:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ -152:sc= 0.0164 (180deg=0) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 CYS SG : rot -140:sc= -4.94! USER MOD Single : A 158 SER OG : rot -110:sc= -0.143 USER MOD Single : A 161 THR OG1 : rot 154:sc= -3.94! USER MOD Single : A 162 GLN : amide:sc= -0.735! C(o=-0.74!,f=-2.4!) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 121.865 -4.791 12.921 1.00 0.00 N ATOM 21 CA GLN A 2 123.073 -4.092 13.374 1.00 0.00 C ATOM 22 C GLN A 2 124.060 -3.924 12.225 1.00 0.00 C ATOM 23 O GLN A 2 125.259 -4.153 12.377 1.00 0.00 O ATOM 24 CB GLN A 2 123.747 -4.823 14.543 1.00 0.00 C ATOM 25 CG GLN A 2 122.754 -4.962 15.698 1.00 0.00 C ATOM 26 CD GLN A 2 123.412 -5.686 16.867 1.00 0.00 C ATOM 27 OE1 GLN A 2 124.323 -6.490 16.666 1.00 0.00 O ATOM 28 NE2 GLN A 2 123.007 -5.447 18.083 1.00 0.00 N ATOM 0 HA GLN A 2 122.765 -3.107 13.726 1.00 0.00 H new ATOM 0 HB2 GLN A 2 124.088 -5.807 14.222 1.00 0.00 H new ATOM 0 HB3 GLN A 2 124.628 -4.272 14.871 1.00 0.00 H new ATOM 0 HG2 GLN A 2 122.413 -3.977 16.015 1.00 0.00 H new ATOM 0 HG3 GLN A 2 121.874 -5.513 15.367 1.00 0.00 H new ATOM 0 HE21 GLN A 2 122.252 -4.781 18.248 1.00 0.00 H new ATOM 0 HE22 GLN A 2 123.445 -5.926 18.870 1.00 0.00 H new ATOM 35 N THR A 3 123.534 -3.506 11.079 1.00 0.00 N ATOM 36 CA THR A 3 124.347 -3.281 9.900 1.00 0.00 C ATOM 37 C THR A 3 124.955 -1.886 9.972 1.00 0.00 C ATOM 38 O THR A 3 124.433 -1.013 10.664 1.00 0.00 O ATOM 39 CB THR A 3 123.486 -3.396 8.639 1.00 0.00 C ATOM 40 OG1 THR A 3 122.718 -2.210 8.489 1.00 0.00 O ATOM 41 CG2 THR A 3 122.543 -4.600 8.748 1.00 0.00 C ATOM 0 H THR A 3 122.541 -3.316 10.946 1.00 0.00 H new ATOM 0 HA THR A 3 125.138 -4.030 9.860 1.00 0.00 H new ATOM 0 HB THR A 3 124.136 -3.532 7.775 1.00 0.00 H new ATOM 0 HG1 THR A 3 122.166 -2.278 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 3 121.937 -4.670 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 3 123.129 -5.512 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 3 121.892 -4.475 9.613 1.00 0.00 H new ATOM 46 N ILE A 4 126.054 -1.676 9.263 1.00 0.00 N ATOM 47 CA ILE A 4 126.704 -0.372 9.277 1.00 0.00 C ATOM 48 C ILE A 4 127.070 0.066 7.864 1.00 0.00 C ATOM 49 O ILE A 4 127.275 -0.763 6.983 1.00 0.00 O ATOM 50 CB ILE A 4 127.949 -0.434 10.154 1.00 0.00 C ATOM 51 CG1 ILE A 4 128.459 0.984 10.417 1.00 0.00 C ATOM 52 CG2 ILE A 4 129.036 -1.246 9.445 1.00 0.00 C ATOM 53 CD1 ILE A 4 129.488 0.960 11.549 1.00 0.00 C ATOM 0 H ILE A 4 126.509 -2.378 8.680 1.00 0.00 H new ATOM 0 HA ILE A 4 126.011 0.363 9.687 1.00 0.00 H new ATOM 0 HB ILE A 4 127.701 -0.912 11.102 1.00 0.00 H new ATOM 0 HG12 ILE A 4 128.909 1.393 9.512 1.00 0.00 H new ATOM 0 HG13 ILE A 4 127.627 1.637 10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 4 129.926 -1.289 10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 4 128.673 -2.257 9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 4 129.285 -0.771 8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 4 129.849 1.972 11.734 1.00 0.00 H new ATOM 0 HD12 ILE A 4 129.024 0.569 12.455 1.00 0.00 H new ATOM 0 HD13 ILE A 4 130.325 0.322 11.266 1.00 0.00 H new ATOM 57 N LYS A 5 127.138 1.375 7.650 1.00 0.00 N ATOM 58 CA LYS A 5 127.468 1.903 6.330 1.00 0.00 C ATOM 59 C LYS A 5 128.915 2.386 6.275 1.00 0.00 C ATOM 60 O LYS A 5 129.457 2.883 7.264 1.00 0.00 O ATOM 61 CB LYS A 5 126.530 3.060 5.986 1.00 0.00 C ATOM 62 CG LYS A 5 125.093 2.540 5.902 1.00 0.00 C ATOM 63 CD LYS A 5 124.165 3.669 5.449 1.00 0.00 C ATOM 64 CE LYS A 5 122.714 3.189 5.502 1.00 0.00 C ATOM 65 NZ LYS A 5 122.000 3.625 4.268 1.00 0.00 N ATOM 0 H LYS A 5 126.971 2.084 8.364 1.00 0.00 H new ATOM 0 HA LYS A 5 127.346 1.100 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 5 126.603 3.840 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 5 126.822 3.510 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 5 125.037 1.707 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 5 124.775 2.162 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 5 124.295 4.540 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 5 124.420 3.979 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 5 122.682 2.103 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 5 122.218 3.594 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 121.013 3.299 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 122.019 4.663 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 122.469 3.218 3.434 1.00 0.00 H new ATOM 79 N CYS A 6 129.531 2.238 5.106 1.00 0.00 N ATOM 80 CA CYS A 6 130.912 2.664 4.911 1.00 0.00 C ATOM 81 C CYS A 6 131.068 3.321 3.541 1.00 0.00 C ATOM 82 O CYS A 6 130.255 3.100 2.644 1.00 0.00 O ATOM 83 CB CYS A 6 131.855 1.463 5.021 1.00 0.00 C ATOM 84 SG CYS A 6 132.960 1.428 3.588 1.00 0.00 S ATOM 0 H CYS A 6 129.096 1.827 4.280 1.00 0.00 H new ATOM 0 HA CYS A 6 131.168 3.388 5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 6 132.437 1.527 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 6 131.279 0.539 5.072 1.00 0.00 H new ATOM 0 HG CYS A 6 133.762 0.409 3.683 1.00 0.00 H new ATOM 90 N VAL A 7 132.106 4.137 3.389 1.00 0.00 N ATOM 91 CA VAL A 7 132.341 4.830 2.122 1.00 0.00 C ATOM 92 C VAL A 7 133.769 4.594 1.632 1.00 0.00 C ATOM 93 O VAL A 7 134.718 4.701 2.408 1.00 0.00 O ATOM 94 CB VAL A 7 132.114 6.332 2.335 1.00 0.00 C ATOM 95 CG1 VAL A 7 133.183 6.871 3.286 1.00 0.00 C ATOM 96 CG2 VAL A 7 132.202 7.082 1.002 1.00 0.00 C ATOM 0 H VAL A 7 132.792 4.335 4.117 1.00 0.00 H new ATOM 0 HA VAL A 7 131.653 4.444 1.370 1.00 0.00 H new ATOM 0 HB VAL A 7 131.121 6.482 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 7 133.027 7.939 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 7 133.115 6.351 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 7 134.170 6.708 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 7 132.038 8.146 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 7 133.189 6.932 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 7 131.441 6.702 0.320 1.00 0.00 H new ATOM 100 N VAL A 8 133.926 4.281 0.340 1.00 0.00 N ATOM 101 CA VAL A 8 135.258 4.051 -0.206 1.00 0.00 C ATOM 102 C VAL A 8 135.649 5.167 -1.169 1.00 0.00 C ATOM 103 O VAL A 8 134.864 5.561 -2.031 1.00 0.00 O ATOM 104 CB VAL A 8 135.319 2.710 -0.933 1.00 0.00 C ATOM 105 CG1 VAL A 8 136.775 2.371 -1.252 1.00 0.00 C ATOM 106 CG2 VAL A 8 134.717 1.617 -0.047 1.00 0.00 C ATOM 0 H VAL A 8 133.163 4.184 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 8 135.960 4.038 0.628 1.00 0.00 H new ATOM 0 HB VAL A 8 134.750 2.773 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 8 136.820 1.414 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 8 137.199 3.149 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 8 137.345 2.309 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 8 134.762 0.661 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 8 135.282 1.550 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 8 133.678 1.861 0.176 1.00 0.00 H new ATOM 110 N VAL A 9 136.870 5.667 -1.016 1.00 0.00 N ATOM 111 CA VAL A 9 137.363 6.734 -1.878 1.00 0.00 C ATOM 112 C VAL A 9 138.526 6.232 -2.725 1.00 0.00 C ATOM 113 O VAL A 9 139.450 5.597 -2.215 1.00 0.00 O ATOM 114 CB VAL A 9 137.821 7.921 -1.027 1.00 0.00 C ATOM 115 CG1 VAL A 9 138.210 9.089 -1.936 1.00 0.00 C ATOM 116 CG2 VAL A 9 136.678 8.355 -0.106 1.00 0.00 C ATOM 0 H VAL A 9 137.533 5.353 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 9 136.556 7.053 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 9 138.684 7.625 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 9 138.535 9.932 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 9 139.023 8.782 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 9 137.349 9.386 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 9 137.001 9.200 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 9 135.818 8.648 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 9 136.400 7.526 0.545 1.00 0.00 H new ATOM 120 N GLY A 10 138.475 6.517 -4.022 1.00 0.00 N ATOM 121 CA GLY A 10 139.531 6.086 -4.929 1.00 0.00 C ATOM 122 C GLY A 10 140.452 7.246 -5.289 1.00 0.00 C ATOM 123 O GLY A 10 140.004 8.272 -5.801 1.00 0.00 O ATOM 0 H GLY A 10 137.720 7.040 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 10 140.110 5.288 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 139.090 5.673 -5.836 1.00 0.00 H new ATOM 127 N ASP A 11 141.744 7.073 -5.025 1.00 0.00 N ATOM 128 CA ASP A 11 142.722 8.111 -5.330 1.00 0.00 C ATOM 129 C ASP A 11 143.136 8.037 -6.796 1.00 0.00 C ATOM 130 O ASP A 11 143.641 7.011 -7.254 1.00 0.00 O ATOM 131 CB ASP A 11 143.956 7.948 -4.441 1.00 0.00 C ATOM 132 CG ASP A 11 144.933 9.091 -4.691 1.00 0.00 C ATOM 133 OD1 ASP A 11 144.730 10.152 -4.126 1.00 0.00 O ATOM 134 OD2 ASP A 11 145.870 8.889 -5.446 1.00 0.00 O ATOM 0 H ASP A 11 142.135 6.230 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 11 142.265 9.082 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 11 143.660 7.935 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 11 144.440 6.993 -4.648 1.00 0.00 H new ATOM 139 N GLY A 12 142.928 9.127 -7.529 1.00 0.00 N ATOM 140 CA GLY A 12 143.294 9.166 -8.942 1.00 0.00 C ATOM 141 C GLY A 12 142.616 8.048 -9.729 1.00 0.00 C ATOM 142 O GLY A 12 142.807 7.929 -10.940 1.00 0.00 O ATOM 0 H GLY A 12 142.512 9.988 -7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 12 143.014 10.131 -9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 12 144.376 9.077 -9.041 1.00 0.00 H new ATOM 146 N ALA A 13 141.835 7.222 -9.040 1.00 0.00 N ATOM 147 CA ALA A 13 141.153 6.110 -9.697 1.00 0.00 C ATOM 148 C ALA A 13 142.110 4.934 -9.839 1.00 0.00 C ATOM 149 O ALA A 13 143.206 5.084 -10.379 1.00 0.00 O ATOM 150 CB ALA A 13 140.657 6.541 -11.079 1.00 0.00 C ATOM 0 H ALA A 13 141.659 7.299 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 13 140.298 5.810 -9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 13 140.150 5.705 -11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 13 139.962 7.374 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 13 141.505 6.851 -11.689 1.00 0.00 H new ATOM 156 N VAL A 14 141.707 3.769 -9.340 1.00 0.00 N ATOM 157 CA VAL A 14 142.568 2.594 -9.411 1.00 0.00 C ATOM 158 C VAL A 14 141.769 1.320 -9.685 1.00 0.00 C ATOM 159 O VAL A 14 141.582 0.935 -10.840 1.00 0.00 O ATOM 160 CB VAL A 14 143.338 2.447 -8.101 1.00 0.00 C ATOM 161 CG1 VAL A 14 144.552 3.382 -8.123 1.00 0.00 C ATOM 162 CG2 VAL A 14 142.430 2.821 -6.928 1.00 0.00 C ATOM 0 H VAL A 14 140.805 3.614 -8.889 1.00 0.00 H new ATOM 0 HA VAL A 14 143.262 2.735 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 14 143.670 1.415 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 14 145.106 3.281 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 14 145.199 3.118 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 14 144.215 4.413 -8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 14 142.981 2.716 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 14 142.098 3.853 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 14 141.563 2.161 -6.914 1.00 0.00 H new ATOM 166 N GLY A 15 141.302 0.661 -8.623 1.00 0.00 N ATOM 167 CA GLY A 15 140.530 -0.572 -8.788 1.00 0.00 C ATOM 168 C GLY A 15 139.685 -0.889 -7.552 1.00 0.00 C ATOM 169 O GLY A 15 139.792 -1.974 -6.976 1.00 0.00 O ATOM 0 H GLY A 15 141.441 0.953 -7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 15 139.880 -0.479 -9.658 1.00 0.00 H new ATOM 0 HA3 GLY A 15 141.209 -1.401 -8.985 1.00 0.00 H new ATOM 173 N LYS A 16 138.847 0.058 -7.147 1.00 0.00 N ATOM 174 CA LYS A 16 137.994 -0.137 -5.977 1.00 0.00 C ATOM 175 C LYS A 16 136.998 -1.277 -6.198 1.00 0.00 C ATOM 176 O LYS A 16 136.646 -1.991 -5.262 1.00 0.00 O ATOM 177 CB LYS A 16 137.219 1.148 -5.679 1.00 0.00 C ATOM 178 CG LYS A 16 137.967 2.352 -6.258 1.00 0.00 C ATOM 179 CD LYS A 16 137.559 2.550 -7.721 1.00 0.00 C ATOM 180 CE LYS A 16 138.716 3.191 -8.489 1.00 0.00 C ATOM 181 NZ LYS A 16 139.393 4.196 -7.620 1.00 0.00 N ATOM 0 H LYS A 16 138.739 0.962 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 16 138.638 -0.393 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 136.219 1.088 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 16 137.096 1.268 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 16 137.738 3.248 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 16 139.043 2.194 -6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 16 137.297 1.592 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 16 136.674 3.183 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 16 139.427 2.426 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 16 138.344 3.669 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 140.423 4.126 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 139.076 5.151 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 139.153 4.012 -6.625 1.00 0.00 H new ATOM 195 N THR A 17 136.526 -1.428 -7.433 1.00 0.00 N ATOM 196 CA THR A 17 135.544 -2.467 -7.748 1.00 0.00 C ATOM 197 C THR A 17 136.000 -3.847 -7.270 1.00 0.00 C ATOM 198 O THR A 17 135.210 -4.606 -6.706 1.00 0.00 O ATOM 199 CB THR A 17 135.302 -2.508 -9.258 1.00 0.00 C ATOM 200 OG1 THR A 17 134.951 -1.209 -9.714 1.00 0.00 O ATOM 201 CG2 THR A 17 134.165 -3.483 -9.567 1.00 0.00 C ATOM 0 H THR A 17 136.803 -0.851 -8.227 1.00 0.00 H new ATOM 0 HA THR A 17 134.621 -2.218 -7.225 1.00 0.00 H new ATOM 0 HB THR A 17 136.209 -2.839 -9.764 1.00 0.00 H new ATOM 0 HG1 THR A 17 134.797 -1.232 -10.682 1.00 0.00 H new ATOM 0 HG21 THR A 17 133.993 -3.512 -10.643 1.00 0.00 H new ATOM 0 HG22 THR A 17 134.434 -4.479 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 17 133.256 -3.154 -9.063 1.00 0.00 H new ATOM 206 N CYS A 18 137.266 -4.171 -7.500 1.00 0.00 N ATOM 207 CA CYS A 18 137.802 -5.470 -7.090 1.00 0.00 C ATOM 208 C CYS A 18 137.708 -5.638 -5.575 1.00 0.00 C ATOM 209 O CYS A 18 137.613 -6.756 -5.061 1.00 0.00 O ATOM 210 CB CYS A 18 139.262 -5.591 -7.526 1.00 0.00 C ATOM 211 SG CYS A 18 139.362 -5.487 -9.330 1.00 0.00 S ATOM 0 H CYS A 18 137.939 -3.561 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 18 137.211 -6.252 -7.568 1.00 0.00 H new ATOM 0 HB2 CYS A 18 139.856 -4.798 -7.072 1.00 0.00 H new ATOM 0 HB3 CYS A 18 139.678 -6.538 -7.182 1.00 0.00 H new ATOM 0 HG CYS A 18 140.603 -5.587 -9.702 1.00 0.00 H new ATOM 217 N LEU A 19 137.723 -4.518 -4.871 1.00 0.00 N ATOM 218 CA LEU A 19 137.633 -4.530 -3.412 1.00 0.00 C ATOM 219 C LEU A 19 136.189 -4.735 -2.949 1.00 0.00 C ATOM 220 O LEU A 19 135.941 -5.384 -1.933 1.00 0.00 O ATOM 221 CB LEU A 19 138.209 -3.211 -2.853 1.00 0.00 C ATOM 222 CG LEU A 19 137.095 -2.291 -2.310 1.00 0.00 C ATOM 223 CD1 LEU A 19 136.553 -2.832 -0.984 1.00 0.00 C ATOM 224 CD2 LEU A 19 137.659 -0.886 -2.066 1.00 0.00 C ATOM 0 H LEU A 19 137.796 -3.587 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 19 138.218 -5.367 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 19 138.920 -3.432 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 19 138.760 -2.692 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 19 136.291 -2.255 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 19 135.768 -2.171 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 19 136.144 -3.830 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 19 137.360 -2.880 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 19 136.870 -0.239 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 19 138.469 -0.940 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 19 138.039 -0.479 -3.003 1.00 0.00 H new ATOM 230 N LEU A 20 135.243 -4.166 -3.687 1.00 0.00 N ATOM 231 CA LEU A 20 133.831 -4.280 -3.328 1.00 0.00 C ATOM 232 C LEU A 20 133.354 -5.727 -3.390 1.00 0.00 C ATOM 233 O LEU A 20 132.519 -6.147 -2.588 1.00 0.00 O ATOM 234 CB LEU A 20 132.983 -3.429 -4.274 1.00 0.00 C ATOM 235 CG LEU A 20 133.443 -1.972 -4.206 1.00 0.00 C ATOM 236 CD1 LEU A 20 132.583 -1.125 -5.144 1.00 0.00 C ATOM 237 CD2 LEU A 20 133.290 -1.453 -2.776 1.00 0.00 C ATOM 0 H LEU A 20 135.424 -3.624 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 20 133.719 -3.924 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 20 133.073 -3.802 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 20 131.931 -3.502 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 20 134.489 -1.908 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 20 132.909 -0.086 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 20 132.688 -1.493 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 20 131.539 -1.192 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 133.618 -0.415 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 20 132.244 -1.517 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 133.899 -2.057 -2.103 1.00 0.00 H new ATOM 243 N ILE A 21 133.869 -6.479 -4.353 1.00 0.00 N ATOM 244 CA ILE A 21 133.464 -7.868 -4.513 1.00 0.00 C ATOM 245 C ILE A 21 134.473 -8.825 -3.880 1.00 0.00 C ATOM 246 O ILE A 21 134.434 -10.029 -4.137 1.00 0.00 O ATOM 247 CB ILE A 21 133.299 -8.192 -6.002 1.00 0.00 C ATOM 248 CG1 ILE A 21 134.670 -8.214 -6.690 1.00 0.00 C ATOM 249 CG2 ILE A 21 132.419 -7.127 -6.660 1.00 0.00 C ATOM 250 CD1 ILE A 21 134.487 -8.516 -8.178 1.00 0.00 C ATOM 0 H ILE A 21 134.561 -6.155 -5.029 1.00 0.00 H new ATOM 0 HA ILE A 21 132.511 -8.002 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 21 132.832 -9.171 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 21 135.169 -7.254 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 21 135.308 -8.969 -6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 21 132.301 -7.356 -7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 21 131.441 -7.116 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 21 132.888 -6.149 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 21 135.460 -8.532 -8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 21 134.005 -9.487 -8.296 1.00 0.00 H new ATOM 0 HD13 ILE A 21 133.865 -7.745 -8.632 1.00 0.00 H new ATOM 254 N SER A 22 135.388 -8.293 -3.076 1.00 0.00 N ATOM 255 CA SER A 22 136.403 -9.140 -2.454 1.00 0.00 C ATOM 256 C SER A 22 135.767 -10.372 -1.815 1.00 0.00 C ATOM 257 O SER A 22 135.825 -11.450 -2.404 1.00 0.00 O ATOM 258 CB SER A 22 137.147 -8.338 -1.405 1.00 0.00 C ATOM 259 OG SER A 22 136.203 -7.664 -0.584 1.00 0.00 O ATOM 0 H SER A 22 135.450 -7.302 -2.843 1.00 0.00 H new ATOM 0 HA SER A 22 137.099 -9.478 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 22 137.771 -8.996 -0.800 1.00 0.00 H new ATOM 0 HB3 SER A 22 137.812 -7.619 -1.883 1.00 0.00 H new ATOM 0 HG SER A 22 135.922 -6.834 -1.023 1.00 0.00 H new ATOM 265 N TYR A 23 135.141 -10.249 -0.633 1.00 0.00 N ATOM 266 CA TYR A 23 134.517 -11.425 -0.037 1.00 0.00 C ATOM 267 C TYR A 23 133.396 -11.948 -0.930 1.00 0.00 C ATOM 268 O TYR A 23 133.204 -13.157 -1.060 1.00 0.00 O ATOM 269 CB TYR A 23 133.956 -11.089 1.342 1.00 0.00 C ATOM 270 CG TYR A 23 133.321 -12.324 1.933 1.00 0.00 C ATOM 271 CD1 TYR A 23 134.125 -13.388 2.353 1.00 0.00 C ATOM 272 CD2 TYR A 23 131.929 -12.407 2.053 1.00 0.00 C ATOM 273 CE1 TYR A 23 133.539 -14.536 2.898 1.00 0.00 C ATOM 274 CE2 TYR A 23 131.342 -13.555 2.599 1.00 0.00 C ATOM 275 CZ TYR A 23 132.147 -14.620 3.022 1.00 0.00 C ATOM 276 OH TYR A 23 131.568 -15.750 3.561 1.00 0.00 O ATOM 0 H TYR A 23 135.058 -9.385 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 23 135.279 -12.197 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 23 134.752 -10.727 1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 23 133.220 -10.289 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 23 135.199 -13.324 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 23 131.308 -11.586 1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 23 134.161 -15.357 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 23 130.268 -13.619 2.694 1.00 0.00 H new ATOM 0 HH TYR A 23 130.594 -15.643 3.575 1.00 0.00 H new ATOM 286 N THR A 24 132.655 -11.028 -1.539 1.00 0.00 N ATOM 287 CA THR A 24 131.551 -11.405 -2.414 1.00 0.00 C ATOM 288 C THR A 24 132.004 -12.469 -3.407 1.00 0.00 C ATOM 289 O THR A 24 131.308 -13.458 -3.636 1.00 0.00 O ATOM 290 CB THR A 24 131.060 -10.175 -3.181 1.00 0.00 C ATOM 291 OG1 THR A 24 131.262 -9.013 -2.388 1.00 0.00 O ATOM 292 CG2 THR A 24 129.571 -10.327 -3.494 1.00 0.00 C ATOM 0 H THR A 24 132.797 -10.022 -1.444 1.00 0.00 H new ATOM 0 HA THR A 24 130.742 -11.807 -1.804 1.00 0.00 H new ATOM 0 HB THR A 24 131.617 -10.082 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 24 130.684 -8.291 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 24 129.223 -9.450 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 24 129.416 -11.218 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 24 129.011 -10.421 -2.563 1.00 0.00 H new ATOM 297 N THR A 25 133.180 -12.255 -3.987 1.00 0.00 N ATOM 298 CA THR A 25 133.742 -13.190 -4.955 1.00 0.00 C ATOM 299 C THR A 25 134.978 -12.580 -5.604 1.00 0.00 C ATOM 300 O THR A 25 134.927 -12.109 -6.741 1.00 0.00 O ATOM 301 CB THR A 25 132.712 -13.527 -6.037 1.00 0.00 C ATOM 302 OG1 THR A 25 133.380 -14.074 -7.165 1.00 0.00 O ATOM 303 CG2 THR A 25 131.965 -12.259 -6.449 1.00 0.00 C ATOM 0 H THR A 25 133.764 -11.439 -3.803 1.00 0.00 H new ATOM 0 HA THR A 25 134.017 -14.106 -4.432 1.00 0.00 H new ATOM 0 HB THR A 25 131.998 -14.253 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 25 133.902 -13.373 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 25 131.233 -12.502 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 25 131.454 -11.840 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 25 132.674 -11.530 -6.840 1.00 0.00 H new ATOM 308 N ASN A 26 136.085 -12.587 -4.872 1.00 0.00 N ATOM 309 CA ASN A 26 137.329 -12.028 -5.384 1.00 0.00 C ATOM 310 C ASN A 26 137.735 -12.724 -6.677 1.00 0.00 C ATOM 311 O ASN A 26 138.549 -13.648 -6.669 1.00 0.00 O ATOM 312 CB ASN A 26 138.436 -12.185 -4.342 1.00 0.00 C ATOM 313 CG ASN A 26 138.610 -13.656 -3.981 1.00 0.00 C ATOM 314 OD1 ASN A 26 137.726 -14.526 -4.385 1.00 0.00 O flip ATOM 315 ND2 ASN A 26 139.576 -14.022 -3.313 1.00 0.00 N flip ATOM 0 H ASN A 26 136.147 -12.971 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 26 137.175 -10.969 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 26 139.372 -11.785 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 26 138.190 -11.610 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 26 140.266 -13.340 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 26 139.687 -15.007 -3.074 1.00 0.00 H new ATOM 320 N LYS A 27 137.160 -12.273 -7.786 1.00 0.00 N ATOM 321 CA LYS A 27 137.465 -12.858 -9.086 1.00 0.00 C ATOM 322 C LYS A 27 137.372 -11.807 -10.185 1.00 0.00 C ATOM 323 O LYS A 27 136.574 -11.941 -11.112 1.00 0.00 O ATOM 324 CB LYS A 27 136.483 -13.990 -9.393 1.00 0.00 C ATOM 325 CG LYS A 27 136.657 -15.118 -8.375 1.00 0.00 C ATOM 326 CD LYS A 27 135.753 -16.291 -8.761 1.00 0.00 C ATOM 327 CE LYS A 27 135.825 -17.372 -7.680 1.00 0.00 C ATOM 328 NZ LYS A 27 136.362 -18.630 -8.273 1.00 0.00 N ATOM 0 H LYS A 27 136.484 -11.509 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 27 138.482 -13.249 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 27 135.460 -13.615 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 27 136.653 -14.368 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 27 137.698 -15.440 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 27 136.405 -14.763 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 27 134.725 -15.948 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 136.064 -16.702 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 27 136.464 -17.041 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 27 134.835 -17.549 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 136.412 -19.366 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 135.735 -18.947 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.314 -18.456 -8.653 1.00 0.00 H new ATOM 342 N LEU A 28 138.189 -10.761 -10.082 1.00 0.00 N ATOM 343 CA LEU A 28 138.171 -9.705 -11.091 1.00 0.00 C ATOM 344 C LEU A 28 139.556 -9.515 -11.705 1.00 0.00 C ATOM 345 O LEU A 28 140.203 -8.488 -11.495 1.00 0.00 O ATOM 346 CB LEU A 28 137.708 -8.389 -10.464 1.00 0.00 C ATOM 347 CG LEU A 28 137.100 -7.495 -11.547 1.00 0.00 C ATOM 348 CD1 LEU A 28 135.779 -8.094 -12.037 1.00 0.00 C ATOM 349 CD2 LEU A 28 136.841 -6.103 -10.970 1.00 0.00 C ATOM 0 H LEU A 28 138.859 -10.623 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 28 137.477 -10.000 -11.878 1.00 0.00 H new ATOM 0 HB2 LEU A 28 136.973 -8.584 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 28 138.549 -7.884 -9.990 1.00 0.00 H new ATOM 0 HG LEU A 28 137.795 -7.424 -12.384 1.00 0.00 H new ATOM 0 HD11 LEU A 28 135.352 -7.452 -12.808 1.00 0.00 H new ATOM 0 HD12 LEU A 28 135.961 -9.086 -12.450 1.00 0.00 H new ATOM 0 HD13 LEU A 28 135.082 -8.171 -11.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 136.408 -5.465 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 136.149 -6.180 -10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 28 137.781 -5.671 -10.627 1.00 0.00 H new ATOM 355 N PRO A 29 140.018 -10.479 -12.459 1.00 0.00 N ATOM 356 CA PRO A 29 141.352 -10.412 -13.118 1.00 0.00 C ATOM 357 C PRO A 29 141.370 -9.431 -14.289 1.00 0.00 C ATOM 358 O PRO A 29 142.435 -9.061 -14.784 1.00 0.00 O ATOM 359 CB PRO A 29 141.596 -11.843 -13.598 1.00 0.00 C ATOM 360 CG PRO A 29 140.241 -12.445 -13.761 1.00 0.00 C ATOM 361 CD PRO A 29 139.318 -11.738 -12.767 1.00 0.00 C ATOM 0 HA PRO A 29 142.124 -10.051 -12.438 1.00 0.00 H new ATOM 0 HB2 PRO A 29 142.146 -11.853 -14.539 1.00 0.00 H new ATOM 0 HB3 PRO A 29 142.190 -12.403 -12.876 1.00 0.00 H new ATOM 0 HG2 PRO A 29 139.881 -12.315 -14.782 1.00 0.00 H new ATOM 0 HG3 PRO A 29 140.269 -13.517 -13.567 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.335 -11.552 -13.199 1.00 0.00 H new ATOM 0 HD3 PRO A 29 139.164 -12.338 -11.870 1.00 0.00 H new ATOM 369 N SER A 30 140.186 -9.016 -14.731 1.00 0.00 N ATOM 370 CA SER A 30 140.085 -8.083 -15.848 1.00 0.00 C ATOM 371 C SER A 30 140.627 -6.712 -15.454 1.00 0.00 C ATOM 372 O SER A 30 140.138 -6.084 -14.515 1.00 0.00 O ATOM 373 CB SER A 30 138.627 -7.950 -16.286 1.00 0.00 C ATOM 374 OG SER A 30 137.969 -7.011 -15.447 1.00 0.00 O ATOM 0 H SER A 30 139.292 -9.308 -14.337 1.00 0.00 H new ATOM 0 HA SER A 30 140.679 -8.471 -16.675 1.00 0.00 H new ATOM 0 HB2 SER A 30 138.576 -7.625 -17.325 1.00 0.00 H new ATOM 0 HB3 SER A 30 138.128 -8.918 -16.229 1.00 0.00 H new ATOM 0 HG SER A 30 138.572 -6.740 -14.724 1.00 0.00 H new ATOM 380 N GLU A 31 141.641 -6.258 -16.181 1.00 0.00 N ATOM 381 CA GLU A 31 142.253 -4.962 -15.911 1.00 0.00 C ATOM 382 C GLU A 31 141.290 -3.821 -16.230 1.00 0.00 C ATOM 383 O GLU A 31 141.324 -2.772 -15.588 1.00 0.00 O ATOM 384 CB GLU A 31 143.527 -4.809 -16.744 1.00 0.00 C ATOM 385 CG GLU A 31 144.254 -3.523 -16.344 1.00 0.00 C ATOM 386 CD GLU A 31 144.825 -3.666 -14.936 1.00 0.00 C ATOM 387 OE1 GLU A 31 145.064 -4.790 -14.527 1.00 0.00 O ATOM 388 OE2 GLU A 31 145.014 -2.649 -14.290 1.00 0.00 O ATOM 0 H GLU A 31 142.057 -6.767 -16.961 1.00 0.00 H new ATOM 0 HA GLU A 31 142.499 -4.915 -14.850 1.00 0.00 H new ATOM 0 HB2 GLU A 31 144.179 -5.669 -16.591 1.00 0.00 H new ATOM 0 HB3 GLU A 31 143.278 -4.783 -17.805 1.00 0.00 H new ATOM 0 HG2 GLU A 31 145.056 -3.313 -17.052 1.00 0.00 H new ATOM 0 HG3 GLU A 31 143.566 -2.679 -16.383 1.00 0.00 H new ATOM 395 N TYR A 32 140.446 -4.025 -17.235 1.00 0.00 N ATOM 396 CA TYR A 32 139.494 -2.997 -17.643 1.00 0.00 C ATOM 397 C TYR A 32 138.607 -2.576 -16.473 1.00 0.00 C ATOM 398 O TYR A 32 138.329 -1.391 -16.292 1.00 0.00 O ATOM 399 CB TYR A 32 138.621 -3.515 -18.787 1.00 0.00 C ATOM 400 CG TYR A 32 137.794 -2.381 -19.346 1.00 0.00 C ATOM 401 CD1 TYR A 32 138.333 -1.544 -20.330 1.00 0.00 C ATOM 402 CD2 TYR A 32 136.492 -2.166 -18.882 1.00 0.00 C ATOM 403 CE1 TYR A 32 137.569 -0.493 -20.852 1.00 0.00 C ATOM 404 CE2 TYR A 32 135.727 -1.115 -19.404 1.00 0.00 C ATOM 405 CZ TYR A 32 136.265 -0.278 -20.388 1.00 0.00 C ATOM 406 OH TYR A 32 135.511 0.757 -20.902 1.00 0.00 O ATOM 0 H TYR A 32 140.401 -4.886 -17.779 1.00 0.00 H new ATOM 0 HA TYR A 32 140.059 -2.128 -17.980 1.00 0.00 H new ATOM 0 HB2 TYR A 32 139.247 -3.943 -19.570 1.00 0.00 H new ATOM 0 HB3 TYR A 32 137.969 -4.312 -18.429 1.00 0.00 H new ATOM 0 HD1 TYR A 32 139.339 -1.709 -20.687 1.00 0.00 H new ATOM 0 HD2 TYR A 32 136.077 -2.810 -18.121 1.00 0.00 H new ATOM 0 HE1 TYR A 32 137.985 0.152 -21.612 1.00 0.00 H new ATOM 0 HE2 TYR A 32 134.721 -0.951 -19.047 1.00 0.00 H new ATOM 0 HH TYR A 32 134.630 0.765 -20.472 1.00 0.00 H new ATOM 416 N VAL A 33 138.164 -3.548 -15.680 1.00 0.00 N ATOM 417 CA VAL A 33 137.310 -3.247 -14.535 1.00 0.00 C ATOM 418 C VAL A 33 136.093 -2.438 -14.976 1.00 0.00 C ATOM 419 O VAL A 33 135.984 -1.249 -14.675 1.00 0.00 O ATOM 420 CB VAL A 33 138.101 -2.458 -13.491 1.00 0.00 C ATOM 421 CG1 VAL A 33 137.201 -2.140 -12.296 1.00 0.00 C ATOM 422 CG2 VAL A 33 139.295 -3.290 -13.019 1.00 0.00 C ATOM 0 H VAL A 33 138.378 -4.537 -15.806 1.00 0.00 H new ATOM 0 HA VAL A 33 136.969 -4.186 -14.098 1.00 0.00 H new ATOM 0 HB VAL A 33 138.456 -1.528 -13.935 1.00 0.00 H new ATOM 0 HG11 VAL A 33 137.767 -1.578 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 33 136.350 -1.546 -12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 33 136.844 -3.069 -11.852 1.00 0.00 H new ATOM 0 HG21 VAL A 33 139.859 -2.728 -12.275 1.00 0.00 H new ATOM 0 HG22 VAL A 33 138.938 -4.220 -12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 33 139.940 -3.516 -13.868 1.00 0.00 H new ATOM 426 N PRO A 34 135.190 -3.058 -15.687 1.00 0.00 N ATOM 427 CA PRO A 34 133.956 -2.385 -16.194 1.00 0.00 C ATOM 428 C PRO A 34 133.161 -1.702 -15.083 1.00 0.00 C ATOM 429 O PRO A 34 132.985 -2.256 -13.997 1.00 0.00 O ATOM 430 CB PRO A 34 133.145 -3.521 -16.825 1.00 0.00 C ATOM 431 CG PRO A 34 134.126 -4.610 -17.113 1.00 0.00 C ATOM 432 CD PRO A 34 135.248 -4.472 -16.085 1.00 0.00 C ATOM 0 HA PRO A 34 134.196 -1.586 -16.896 1.00 0.00 H new ATOM 0 HB2 PRO A 34 132.364 -3.867 -16.148 1.00 0.00 H new ATOM 0 HB3 PRO A 34 132.651 -3.188 -17.738 1.00 0.00 H new ATOM 0 HG2 PRO A 34 133.651 -5.588 -17.039 1.00 0.00 H new ATOM 0 HG3 PRO A 34 134.517 -4.521 -18.127 1.00 0.00 H new ATOM 0 HD2 PRO A 34 135.093 -5.134 -15.233 1.00 0.00 H new ATOM 0 HD3 PRO A 34 136.217 -4.727 -16.514 1.00 0.00 H new ATOM 440 N THR A 35 132.681 -0.495 -15.369 1.00 0.00 N ATOM 441 CA THR A 35 131.902 0.266 -14.397 1.00 0.00 C ATOM 442 C THR A 35 130.589 0.742 -15.015 1.00 0.00 C ATOM 443 O THR A 35 130.552 1.150 -16.176 1.00 0.00 O ATOM 444 CB THR A 35 132.710 1.473 -13.915 1.00 0.00 C ATOM 445 OG1 THR A 35 133.960 1.032 -13.408 1.00 0.00 O ATOM 446 CG2 THR A 35 131.937 2.201 -12.814 1.00 0.00 C ATOM 0 H THR A 35 132.817 -0.024 -16.263 1.00 0.00 H new ATOM 0 HA THR A 35 131.676 -0.383 -13.551 1.00 0.00 H new ATOM 0 HB THR A 35 132.877 2.155 -14.749 1.00 0.00 H new ATOM 0 HG1 THR A 35 134.479 1.804 -13.101 1.00 0.00 H new ATOM 0 HG21 THR A 35 132.514 3.060 -12.472 1.00 0.00 H new ATOM 0 HG22 THR A 35 130.978 2.540 -13.206 1.00 0.00 H new ATOM 0 HG23 THR A 35 131.767 1.522 -11.978 1.00 0.00 H new ATOM 451 N VAL A 36 129.512 0.690 -14.233 1.00 0.00 N ATOM 452 CA VAL A 36 128.207 1.125 -14.721 1.00 0.00 C ATOM 453 C VAL A 36 127.272 1.444 -13.557 1.00 0.00 C ATOM 454 O VAL A 36 126.676 2.520 -13.506 1.00 0.00 O ATOM 455 CB VAL A 36 127.582 0.036 -15.596 1.00 0.00 C ATOM 456 CG1 VAL A 36 127.402 -1.240 -14.772 1.00 0.00 C ATOM 457 CG2 VAL A 36 126.219 0.512 -16.104 1.00 0.00 C ATOM 0 H VAL A 36 129.517 0.355 -13.270 1.00 0.00 H new ATOM 0 HA VAL A 36 128.350 2.029 -15.314 1.00 0.00 H new ATOM 0 HB VAL A 36 128.235 -0.169 -16.444 1.00 0.00 H new ATOM 0 HG11 VAL A 36 126.957 -2.016 -15.395 1.00 0.00 H new ATOM 0 HG12 VAL A 36 128.372 -1.579 -14.409 1.00 0.00 H new ATOM 0 HG13 VAL A 36 126.748 -1.036 -13.924 1.00 0.00 H new ATOM 0 HG21 VAL A 36 125.772 -0.262 -16.728 1.00 0.00 H new ATOM 0 HG22 VAL A 36 125.566 0.717 -15.256 1.00 0.00 H new ATOM 0 HG23 VAL A 36 126.347 1.421 -16.691 1.00 0.00 H new ATOM 461 N PHE A 37 127.142 0.501 -12.628 1.00 0.00 N ATOM 462 CA PHE A 37 126.270 0.693 -11.474 1.00 0.00 C ATOM 463 C PHE A 37 127.078 1.096 -10.244 1.00 0.00 C ATOM 464 O PHE A 37 128.079 0.461 -9.912 1.00 0.00 O ATOM 465 CB PHE A 37 125.504 -0.598 -11.179 1.00 0.00 C ATOM 466 CG PHE A 37 124.527 -0.361 -10.051 1.00 0.00 C ATOM 467 CD1 PHE A 37 123.245 0.128 -10.328 1.00 0.00 C ATOM 468 CD2 PHE A 37 124.902 -0.634 -8.731 1.00 0.00 C ATOM 469 CE1 PHE A 37 122.339 0.347 -9.283 1.00 0.00 C ATOM 470 CE2 PHE A 37 123.995 -0.417 -7.685 1.00 0.00 C ATOM 471 CZ PHE A 37 122.713 0.074 -7.962 1.00 0.00 C ATOM 0 H PHE A 37 127.625 -0.397 -12.651 1.00 0.00 H new ATOM 0 HA PHE A 37 125.566 1.492 -11.708 1.00 0.00 H new ATOM 0 HB2 PHE A 37 124.972 -0.929 -12.071 1.00 0.00 H new ATOM 0 HB3 PHE A 37 126.200 -1.392 -10.910 1.00 0.00 H new ATOM 0 HD1 PHE A 37 122.955 0.336 -11.347 1.00 0.00 H new ATOM 0 HD2 PHE A 37 125.891 -1.012 -8.518 1.00 0.00 H new ATOM 0 HE1 PHE A 37 121.351 0.727 -9.496 1.00 0.00 H new ATOM 0 HE2 PHE A 37 124.284 -0.628 -6.666 1.00 0.00 H new ATOM 0 HZ PHE A 37 122.013 0.242 -7.157 1.00 0.00 H new ATOM 481 N ASP A 38 126.633 2.153 -9.571 1.00 0.00 N ATOM 482 CA ASP A 38 127.320 2.630 -8.375 1.00 0.00 C ATOM 483 C ASP A 38 127.021 1.719 -7.188 1.00 0.00 C ATOM 484 O ASP A 38 125.881 1.303 -6.983 1.00 0.00 O ATOM 485 CB ASP A 38 126.879 4.059 -8.053 1.00 0.00 C ATOM 486 CG ASP A 38 127.351 5.008 -9.150 1.00 0.00 C ATOM 487 OD1 ASP A 38 128.193 4.602 -9.934 1.00 0.00 O ATOM 488 OD2 ASP A 38 126.865 6.126 -9.188 1.00 0.00 O ATOM 0 H ASP A 38 125.807 2.692 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 38 128.393 2.618 -8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 38 125.793 4.103 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 38 127.290 4.368 -7.092 1.00 0.00 H new ATOM 493 N ASN A 39 128.055 1.409 -6.412 1.00 0.00 N ATOM 494 CA ASN A 39 127.894 0.541 -5.251 1.00 0.00 C ATOM 495 C ASN A 39 128.093 1.325 -3.957 1.00 0.00 C ATOM 496 O ASN A 39 128.872 2.278 -3.908 1.00 0.00 O ATOM 497 CB ASN A 39 128.899 -0.609 -5.318 1.00 0.00 C ATOM 498 CG ASN A 39 128.681 -1.412 -6.595 1.00 0.00 C ATOM 499 OD1 ASN A 39 127.470 -1.761 -6.936 1.00 0.00 O flip ATOM 500 ND2 ASN A 39 129.638 -1.729 -7.301 1.00 0.00 N flip ATOM 0 H ASN A 39 129.007 1.743 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 39 126.881 0.139 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 39 129.916 -0.217 -5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 39 128.785 -1.255 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 39 130.583 -1.455 -7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 39 129.486 -2.266 -8.155 1.00 0.00 H new ATOM 505 N TYR A 40 127.384 0.911 -2.911 1.00 0.00 N ATOM 506 CA TYR A 40 127.479 1.567 -1.613 1.00 0.00 C ATOM 507 C TYR A 40 126.631 0.821 -0.589 1.00 0.00 C ATOM 508 O TYR A 40 126.665 1.124 0.603 1.00 0.00 O ATOM 509 CB TYR A 40 127.004 3.018 -1.715 1.00 0.00 C ATOM 510 CG TYR A 40 125.497 3.048 -1.797 1.00 0.00 C ATOM 511 CD1 TYR A 40 124.860 2.905 -3.035 1.00 0.00 C ATOM 512 CD2 TYR A 40 124.737 3.219 -0.634 1.00 0.00 C ATOM 513 CE1 TYR A 40 123.463 2.933 -3.111 1.00 0.00 C ATOM 514 CE2 TYR A 40 123.340 3.247 -0.709 1.00 0.00 C ATOM 515 CZ TYR A 40 122.702 3.104 -1.948 1.00 0.00 C ATOM 516 OH TYR A 40 121.325 3.133 -2.023 1.00 0.00 O ATOM 0 H TYR A 40 126.737 0.123 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 40 128.521 1.557 -1.294 1.00 0.00 H new ATOM 0 HB2 TYR A 40 127.343 3.585 -0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 40 127.437 3.493 -2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 40 125.447 2.773 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 40 125.229 3.329 0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 40 122.972 2.823 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 40 122.754 3.379 0.188 1.00 0.00 H new ATOM 0 HH TYR A 40 120.951 3.258 -1.126 1.00 0.00 H new ATOM 526 N ALA A 41 125.870 -0.158 -1.068 1.00 0.00 N ATOM 527 CA ALA A 41 125.013 -0.950 -0.194 1.00 0.00 C ATOM 528 C ALA A 41 125.068 -2.423 -0.588 1.00 0.00 C ATOM 529 O ALA A 41 124.451 -2.835 -1.571 1.00 0.00 O ATOM 530 CB ALA A 41 123.571 -0.449 -0.280 1.00 0.00 C ATOM 0 H ALA A 41 125.829 -0.421 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 41 125.371 -0.844 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 41 122.938 -1.047 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 41 123.530 0.596 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 41 123.215 -0.538 -1.307 1.00 0.00 H new ATOM 536 N VAL A 42 125.804 -3.211 0.188 1.00 0.00 N ATOM 537 CA VAL A 42 125.923 -4.638 -0.091 1.00 0.00 C ATOM 538 C VAL A 42 125.681 -5.454 1.172 1.00 0.00 C ATOM 539 O VAL A 42 126.244 -5.165 2.229 1.00 0.00 O ATOM 540 CB VAL A 42 127.315 -4.952 -0.641 1.00 0.00 C ATOM 541 CG1 VAL A 42 127.371 -6.412 -1.090 1.00 0.00 C ATOM 542 CG2 VAL A 42 127.611 -4.040 -1.834 1.00 0.00 C ATOM 0 H VAL A 42 126.322 -2.891 1.006 1.00 0.00 H new ATOM 0 HA VAL A 42 125.171 -4.904 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 42 128.058 -4.784 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 42 128.364 -6.634 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 42 127.162 -7.062 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 42 126.627 -6.582 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 42 128.603 -4.264 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 42 126.867 -4.207 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 42 127.574 -2.999 -1.514 1.00 0.00 H new ATOM 546 N THR A 43 124.838 -6.473 1.058 1.00 0.00 N ATOM 547 CA THR A 43 124.525 -7.321 2.202 1.00 0.00 C ATOM 548 C THR A 43 125.219 -8.673 2.078 1.00 0.00 C ATOM 549 O THR A 43 125.034 -9.392 1.095 1.00 0.00 O ATOM 550 CB THR A 43 123.011 -7.528 2.302 1.00 0.00 C ATOM 551 OG1 THR A 43 122.708 -8.204 3.514 1.00 0.00 O ATOM 552 CG2 THR A 43 122.528 -8.363 1.114 1.00 0.00 C ATOM 0 H THR A 43 124.362 -6.731 0.193 1.00 0.00 H new ATOM 0 HA THR A 43 124.884 -6.825 3.104 1.00 0.00 H new ATOM 0 HB THR A 43 122.509 -6.560 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 43 122.775 -7.577 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 43 121.450 -8.510 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 43 122.762 -7.843 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 43 123.027 -9.332 1.123 1.00 0.00 H new ATOM 557 N VAL A 44 126.018 -9.012 3.084 1.00 0.00 N ATOM 558 CA VAL A 44 126.738 -10.280 3.088 1.00 0.00 C ATOM 559 C VAL A 44 126.605 -10.965 4.445 1.00 0.00 C ATOM 560 O VAL A 44 126.343 -10.312 5.457 1.00 0.00 O ATOM 561 CB VAL A 44 128.217 -10.040 2.778 1.00 0.00 C ATOM 562 CG1 VAL A 44 128.346 -9.300 1.446 1.00 0.00 C ATOM 563 CG2 VAL A 44 128.839 -9.198 3.893 1.00 0.00 C ATOM 0 H VAL A 44 126.183 -8.429 3.904 1.00 0.00 H new ATOM 0 HA VAL A 44 126.307 -10.926 2.323 1.00 0.00 H new ATOM 0 HB VAL A 44 128.735 -10.997 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 44 129.400 -9.129 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 44 127.902 -9.900 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 44 127.829 -8.343 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 44 129.893 -9.026 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 44 128.321 -8.241 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 44 128.747 -9.726 4.842 1.00 0.00 H new ATOM 567 N MET A 45 126.790 -12.281 4.460 1.00 0.00 N ATOM 568 CA MET A 45 126.694 -13.038 5.704 1.00 0.00 C ATOM 569 C MET A 45 127.915 -13.935 5.874 1.00 0.00 C ATOM 570 O MET A 45 128.301 -14.652 4.949 1.00 0.00 O ATOM 571 CB MET A 45 125.427 -13.894 5.695 1.00 0.00 C ATOM 572 CG MET A 45 124.203 -12.990 5.553 1.00 0.00 C ATOM 573 SD MET A 45 122.699 -13.966 5.797 1.00 0.00 S ATOM 574 CE MET A 45 122.971 -15.144 4.451 1.00 0.00 C ATOM 0 H MET A 45 127.005 -12.841 3.635 1.00 0.00 H new ATOM 0 HA MET A 45 126.652 -12.336 6.537 1.00 0.00 H new ATOM 0 HB2 MET A 45 125.463 -14.607 4.872 1.00 0.00 H new ATOM 0 HB3 MET A 45 125.360 -14.473 6.616 1.00 0.00 H new ATOM 0 HG2 MET A 45 124.248 -12.182 6.284 1.00 0.00 H new ATOM 0 HG3 MET A 45 124.192 -12.527 4.566 1.00 0.00 H new ATOM 0 HE1 MET A 45 122.014 -15.548 4.122 1.00 0.00 H new ATOM 0 HE2 MET A 45 123.457 -14.638 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 45 123.607 -15.957 4.802 1.00 0.00 H new ATOM 584 N ILE A 46 128.518 -13.902 7.058 1.00 0.00 N ATOM 585 CA ILE A 46 129.689 -14.732 7.322 1.00 0.00 C ATOM 586 C ILE A 46 129.581 -15.412 8.686 1.00 0.00 C ATOM 587 O ILE A 46 129.283 -14.767 9.692 1.00 0.00 O ATOM 588 CB ILE A 46 130.961 -13.880 7.269 1.00 0.00 C ATOM 589 CG1 ILE A 46 132.182 -14.781 7.465 1.00 0.00 C ATOM 590 CG2 ILE A 46 130.924 -12.828 8.378 1.00 0.00 C ATOM 591 CD1 ILE A 46 133.445 -14.034 7.031 1.00 0.00 C ATOM 0 H ILE A 46 128.221 -13.319 7.840 1.00 0.00 H new ATOM 0 HA ILE A 46 129.737 -15.503 6.554 1.00 0.00 H new ATOM 0 HB ILE A 46 131.023 -13.382 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 46 132.264 -15.078 8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 46 132.069 -15.695 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 46 131.830 -12.224 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 46 130.054 -12.186 8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 46 130.861 -13.323 9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 46 134.314 -14.677 7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 46 133.362 -13.760 5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 46 133.560 -13.133 7.633 1.00 0.00 H new ATOM 595 N GLY A 47 129.837 -16.717 8.713 1.00 0.00 N ATOM 596 CA GLY A 47 129.780 -17.474 9.961 1.00 0.00 C ATOM 597 C GLY A 47 128.420 -17.338 10.637 1.00 0.00 C ATOM 598 O GLY A 47 128.312 -17.464 11.858 1.00 0.00 O ATOM 0 H GLY A 47 130.084 -17.269 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 47 129.983 -18.526 9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 47 130.560 -17.123 10.637 1.00 0.00 H new ATOM 602 N GLY A 48 127.384 -17.081 9.846 1.00 0.00 N ATOM 603 CA GLY A 48 126.041 -16.934 10.397 1.00 0.00 C ATOM 604 C GLY A 48 125.883 -15.583 11.089 1.00 0.00 C ATOM 605 O GLY A 48 125.573 -15.515 12.278 1.00 0.00 O ATOM 0 H GLY A 48 127.446 -16.971 8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 48 125.304 -17.027 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 48 125.845 -17.737 11.108 1.00 0.00 H new ATOM 609 N GLU A 49 126.099 -14.510 10.335 1.00 0.00 N ATOM 610 CA GLU A 49 125.980 -13.162 10.881 1.00 0.00 C ATOM 611 C GLU A 49 125.223 -12.256 9.901 1.00 0.00 C ATOM 612 O GLU A 49 125.799 -11.802 8.912 1.00 0.00 O ATOM 613 CB GLU A 49 127.373 -12.586 11.140 1.00 0.00 C ATOM 614 CG GLU A 49 127.984 -13.266 12.368 1.00 0.00 C ATOM 615 CD GLU A 49 129.371 -12.696 12.645 1.00 0.00 C ATOM 616 OE1 GLU A 49 129.957 -12.145 11.729 1.00 0.00 O ATOM 617 OE2 GLU A 49 129.825 -12.818 13.771 1.00 0.00 O ATOM 0 H GLU A 49 126.356 -14.547 9.349 1.00 0.00 H new ATOM 0 HA GLU A 49 125.426 -13.210 11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 49 128.010 -12.741 10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 49 127.310 -11.510 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 49 127.340 -13.116 13.235 1.00 0.00 H new ATOM 0 HG3 GLU A 49 128.050 -14.341 12.203 1.00 0.00 H new ATOM 624 N PRO A 50 123.954 -11.995 10.135 1.00 0.00 N ATOM 625 CA PRO A 50 123.138 -11.140 9.229 1.00 0.00 C ATOM 626 C PRO A 50 123.380 -9.644 9.440 1.00 0.00 C ATOM 627 O PRO A 50 122.877 -9.051 10.394 1.00 0.00 O ATOM 628 CB PRO A 50 121.699 -11.518 9.580 1.00 0.00 C ATOM 629 CG PRO A 50 121.739 -11.979 11.000 1.00 0.00 C ATOM 630 CD PRO A 50 123.159 -12.481 11.279 1.00 0.00 C ATOM 0 HA PRO A 50 123.390 -11.308 8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 50 121.030 -10.665 9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 50 121.329 -12.305 8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 50 121.481 -11.164 11.676 1.00 0.00 H new ATOM 0 HG3 PRO A 50 121.011 -12.773 11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 50 123.540 -12.090 12.222 1.00 0.00 H new ATOM 0 HD3 PRO A 50 123.189 -13.568 11.350 1.00 0.00 H new ATOM 638 N TYR A 51 124.144 -9.045 8.531 1.00 0.00 N ATOM 639 CA TYR A 51 124.447 -7.617 8.600 1.00 0.00 C ATOM 640 C TYR A 51 124.753 -7.085 7.204 1.00 0.00 C ATOM 641 O TYR A 51 124.905 -7.864 6.263 1.00 0.00 O ATOM 642 CB TYR A 51 125.641 -7.377 9.520 1.00 0.00 C ATOM 643 CG TYR A 51 126.863 -8.016 8.917 1.00 0.00 C ATOM 644 CD1 TYR A 51 127.678 -7.292 8.039 1.00 0.00 C ATOM 645 CD2 TYR A 51 127.181 -9.337 9.241 1.00 0.00 C ATOM 646 CE1 TYR A 51 128.814 -7.895 7.486 1.00 0.00 C ATOM 647 CE2 TYR A 51 128.314 -9.940 8.689 1.00 0.00 C ATOM 648 CZ TYR A 51 129.132 -9.219 7.812 1.00 0.00 C ATOM 649 OH TYR A 51 130.250 -9.816 7.268 1.00 0.00 O ATOM 0 H TYR A 51 124.566 -9.526 7.737 1.00 0.00 H new ATOM 0 HA TYR A 51 123.581 -7.091 9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 51 125.803 -6.308 9.654 1.00 0.00 H new ATOM 0 HB3 TYR A 51 125.446 -7.796 10.507 1.00 0.00 H new ATOM 0 HD1 TYR A 51 127.431 -6.271 7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 51 126.550 -9.893 9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 51 129.445 -7.339 6.808 1.00 0.00 H new ATOM 0 HE2 TYR A 51 128.558 -10.962 8.939 1.00 0.00 H new ATOM 0 HH TYR A 51 129.981 -10.605 6.752 1.00 0.00 H new ATOM 659 N THR A 52 124.843 -5.763 7.060 1.00 0.00 N ATOM 660 CA THR A 52 125.133 -5.189 5.744 1.00 0.00 C ATOM 661 C THR A 52 126.172 -4.070 5.821 1.00 0.00 C ATOM 662 O THR A 52 125.998 -3.095 6.550 1.00 0.00 O ATOM 663 CB THR A 52 123.843 -4.642 5.120 1.00 0.00 C ATOM 664 OG1 THR A 52 123.226 -5.662 4.347 1.00 0.00 O ATOM 665 CG2 THR A 52 124.164 -3.442 4.226 1.00 0.00 C ATOM 0 H THR A 52 124.724 -5.085 7.813 1.00 0.00 H new ATOM 0 HA THR A 52 125.544 -5.986 5.124 1.00 0.00 H new ATOM 0 HB THR A 52 123.166 -4.323 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 52 122.328 -5.373 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 52 123.243 -3.059 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 52 124.634 -2.660 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 52 124.844 -3.751 3.432 1.00 0.00 H new ATOM 670 N LEU A 53 127.241 -4.204 5.036 1.00 0.00 N ATOM 671 CA LEU A 53 128.278 -3.181 5.002 1.00 0.00 C ATOM 672 C LEU A 53 128.216 -2.410 3.685 1.00 0.00 C ATOM 673 O LEU A 53 128.344 -2.995 2.610 1.00 0.00 O ATOM 674 CB LEU A 53 129.657 -3.819 5.153 1.00 0.00 C ATOM 675 CG LEU A 53 130.718 -2.721 5.247 1.00 0.00 C ATOM 676 CD1 LEU A 53 130.503 -1.906 6.524 1.00 0.00 C ATOM 677 CD2 LEU A 53 132.107 -3.363 5.282 1.00 0.00 C ATOM 0 H LEU A 53 127.408 -5.002 4.423 1.00 0.00 H new ATOM 0 HA LEU A 53 128.109 -2.493 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 53 129.685 -4.444 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 53 129.864 -4.468 4.303 1.00 0.00 H new ATOM 0 HG LEU A 53 130.638 -2.064 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 53 131.260 -1.124 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 53 129.513 -1.451 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 53 130.583 -2.561 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 53 132.866 -2.584 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 53 132.183 -4.019 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 132.262 -3.944 4.373 1.00 0.00 H new ATOM 683 N GLY A 54 128.024 -1.098 3.774 1.00 0.00 N ATOM 684 CA GLY A 54 127.956 -0.264 2.577 1.00 0.00 C ATOM 685 C GLY A 54 129.323 0.328 2.268 1.00 0.00 C ATOM 686 O GLY A 54 130.008 0.820 3.163 1.00 0.00 O ATOM 0 H GLY A 54 127.914 -0.592 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 54 127.610 -0.858 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 54 127.230 0.536 2.724 1.00 0.00 H new ATOM 690 N LEU A 55 129.729 0.274 1.004 1.00 0.00 N ATOM 691 CA LEU A 55 131.033 0.808 0.627 1.00 0.00 C ATOM 692 C LEU A 55 130.976 1.523 -0.717 1.00 0.00 C ATOM 693 O LEU A 55 130.694 0.908 -1.745 1.00 0.00 O ATOM 694 CB LEU A 55 132.058 -0.327 0.545 1.00 0.00 C ATOM 695 CG LEU A 55 131.395 -1.658 0.909 1.00 0.00 C ATOM 696 CD1 LEU A 55 130.314 -1.994 -0.123 1.00 0.00 C ATOM 697 CD2 LEU A 55 132.449 -2.766 0.913 1.00 0.00 C ATOM 0 H LEU A 55 129.187 -0.125 0.237 1.00 0.00 H new ATOM 0 HA LEU A 55 131.329 1.527 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 55 132.473 -0.381 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 55 132.889 -0.128 1.222 1.00 0.00 H new ATOM 0 HG LEU A 55 130.942 -1.577 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 55 129.844 -2.942 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 55 129.561 -1.206 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 55 130.767 -2.074 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 55 131.979 -3.715 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 55 132.900 -2.843 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 55 133.221 -2.531 1.646 1.00 0.00 H new ATOM 703 N PHE A 56 131.271 2.821 -0.709 1.00 0.00 N ATOM 704 CA PHE A 56 131.276 3.591 -1.945 1.00 0.00 C ATOM 705 C PHE A 56 132.399 3.080 -2.833 1.00 0.00 C ATOM 706 O PHE A 56 132.848 1.953 -2.662 1.00 0.00 O ATOM 707 CB PHE A 56 131.480 5.076 -1.648 1.00 0.00 C ATOM 708 CG PHE A 56 130.950 5.900 -2.799 1.00 0.00 C ATOM 709 CD1 PHE A 56 129.580 5.897 -3.086 1.00 0.00 C ATOM 710 CD2 PHE A 56 131.827 6.667 -3.576 1.00 0.00 C ATOM 711 CE1 PHE A 56 129.086 6.659 -4.152 1.00 0.00 C ATOM 712 CE2 PHE A 56 131.333 7.430 -4.642 1.00 0.00 C ATOM 713 CZ PHE A 56 129.962 7.426 -4.929 1.00 0.00 C ATOM 0 H PHE A 56 131.506 3.354 0.129 1.00 0.00 H new ATOM 0 HA PHE A 56 130.318 3.473 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 56 130.965 5.347 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 56 132.539 5.285 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 56 128.904 5.307 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 56 132.884 6.670 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 56 128.029 6.655 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 56 132.009 8.021 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 56 129.581 8.015 -5.750 1.00 0.00 H new ATOM 723 N ASP A 57 132.851 3.900 -3.776 1.00 0.00 N ATOM 724 CA ASP A 57 133.925 3.494 -4.678 1.00 0.00 C ATOM 725 C ASP A 57 134.474 4.698 -5.436 1.00 0.00 C ATOM 726 O ASP A 57 133.922 5.796 -5.355 1.00 0.00 O ATOM 727 CB ASP A 57 133.400 2.461 -5.677 1.00 0.00 C ATOM 728 CG ASP A 57 132.318 3.084 -6.556 1.00 0.00 C ATOM 729 OD1 ASP A 57 132.210 4.299 -6.558 1.00 0.00 O ATOM 730 OD2 ASP A 57 131.614 2.335 -7.214 1.00 0.00 O ATOM 0 H ASP A 57 132.495 4.842 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 57 134.727 3.056 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 57 134.218 2.096 -6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 57 132.996 1.601 -5.144 1.00 0.00 H new ATOM 735 N THR A 58 135.557 4.484 -6.180 1.00 0.00 N ATOM 736 CA THR A 58 136.165 5.560 -6.957 1.00 0.00 C ATOM 737 C THR A 58 136.057 6.893 -6.217 1.00 0.00 C ATOM 738 O THR A 58 135.902 6.928 -4.997 1.00 0.00 O ATOM 739 CB THR A 58 135.468 5.676 -8.315 1.00 0.00 C ATOM 740 OG1 THR A 58 134.976 4.401 -8.703 1.00 0.00 O ATOM 741 CG2 THR A 58 136.458 6.186 -9.364 1.00 0.00 C ATOM 0 H THR A 58 136.028 3.583 -6.261 1.00 0.00 H new ATOM 0 HA THR A 58 137.219 5.324 -7.102 1.00 0.00 H new ATOM 0 HB THR A 58 134.638 6.378 -8.236 1.00 0.00 H new ATOM 0 HG1 THR A 58 135.592 3.995 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 58 135.957 6.267 -10.329 1.00 0.00 H new ATOM 0 HG22 THR A 58 136.831 7.166 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 58 137.292 5.489 -9.446 1.00 0.00 H new ATOM 746 N ALA A 59 136.142 7.985 -6.972 1.00 0.00 N ATOM 747 CA ALA A 59 136.053 9.321 -6.391 1.00 0.00 C ATOM 748 C ALA A 59 136.696 10.345 -7.320 1.00 0.00 C ATOM 749 O ALA A 59 136.097 11.373 -7.636 1.00 0.00 O ATOM 750 CB ALA A 59 136.754 9.353 -5.032 1.00 0.00 C ATOM 0 H ALA A 59 136.272 7.971 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 59 135.000 9.570 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 59 136.681 10.355 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 59 136.278 8.639 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 59 137.804 9.088 -5.158 1.00 0.00 H new ATOM 756 N GLY A 60 137.916 10.053 -7.759 1.00 0.00 N ATOM 757 CA GLY A 60 138.629 10.951 -8.658 1.00 0.00 C ATOM 758 C GLY A 60 138.234 10.686 -10.105 1.00 0.00 C ATOM 759 O GLY A 60 137.362 9.860 -10.374 1.00 0.00 O ATOM 0 H GLY A 60 138.428 9.207 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 60 138.407 11.986 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 60 139.704 10.816 -8.538 1.00 0.00 H new ATOM 972 N GLN A 74 126.246 9.737 5.223 1.00 0.00 N ATOM 973 CA GLN A 74 126.634 9.396 6.587 1.00 0.00 C ATOM 974 C GLN A 74 127.500 8.139 6.606 1.00 0.00 C ATOM 975 O GLN A 74 127.080 7.079 6.143 1.00 0.00 O ATOM 976 CB GLN A 74 125.383 9.164 7.439 1.00 0.00 C ATOM 977 CG GLN A 74 124.550 10.446 7.491 1.00 0.00 C ATOM 978 CD GLN A 74 123.349 10.250 8.411 1.00 0.00 C ATOM 979 OE1 GLN A 74 123.146 9.084 8.961 1.00 0.00 O flip ATOM 980 NE2 GLN A 74 122.575 11.181 8.631 1.00 0.00 N flip ATOM 0 HA GLN A 74 127.211 10.225 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 74 124.791 8.351 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 74 125.668 8.863 8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 74 125.162 11.273 7.850 1.00 0.00 H new ATOM 0 HG3 GLN A 74 124.212 10.711 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 74 122.736 12.091 8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 74 121.772 11.043 9.245 1.00 0.00 H new ATOM 987 N THR A 75 128.707 8.264 7.149 1.00 0.00 N ATOM 988 CA THR A 75 129.618 7.126 7.227 1.00 0.00 C ATOM 989 C THR A 75 130.103 6.926 8.660 1.00 0.00 C ATOM 990 O THR A 75 130.607 7.856 9.290 1.00 0.00 O ATOM 991 CB THR A 75 130.821 7.358 6.308 1.00 0.00 C ATOM 992 OG1 THR A 75 130.363 7.614 4.987 1.00 0.00 O ATOM 993 CG2 THR A 75 131.716 6.117 6.310 1.00 0.00 C ATOM 0 H THR A 75 129.075 9.132 7.538 1.00 0.00 H new ATOM 0 HA THR A 75 129.082 6.232 6.908 1.00 0.00 H new ATOM 0 HB THR A 75 131.393 8.214 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 75 131.067 8.068 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 75 132.571 6.284 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 75 132.067 5.923 7.324 1.00 0.00 H new ATOM 0 HG23 THR A 75 131.148 5.258 5.952 1.00 0.00 H new ATOM 998 N ASP A 76 129.955 5.705 9.166 1.00 0.00 N ATOM 999 CA ASP A 76 130.391 5.396 10.521 1.00 0.00 C ATOM 1000 C ASP A 76 131.881 5.072 10.543 1.00 0.00 C ATOM 1001 O ASP A 76 132.590 5.420 11.487 1.00 0.00 O ATOM 1002 CB ASP A 76 129.591 4.213 11.071 1.00 0.00 C ATOM 1003 CG ASP A 76 128.130 4.618 11.246 1.00 0.00 C ATOM 1004 OD1 ASP A 76 127.845 5.798 11.126 1.00 0.00 O ATOM 1005 OD2 ASP A 76 127.319 3.743 11.500 1.00 0.00 O ATOM 0 H ASP A 76 129.540 4.921 8.662 1.00 0.00 H new ATOM 0 HA ASP A 76 130.216 6.269 11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 76 129.664 3.364 10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 76 130.007 3.893 12.026 1.00 0.00 H new ATOM 1010 N VAL A 77 132.348 4.408 9.491 1.00 0.00 N ATOM 1011 CA VAL A 77 133.755 4.043 9.391 1.00 0.00 C ATOM 1012 C VAL A 77 134.298 4.402 8.011 1.00 0.00 C ATOM 1013 O VAL A 77 133.759 3.972 6.990 1.00 0.00 O ATOM 1014 CB VAL A 77 133.917 2.542 9.634 1.00 0.00 C ATOM 1015 CG1 VAL A 77 133.680 2.236 11.114 1.00 0.00 C ATOM 1016 CG2 VAL A 77 132.893 1.778 8.790 1.00 0.00 C ATOM 0 H VAL A 77 131.776 4.113 8.700 1.00 0.00 H new ATOM 0 HA VAL A 77 134.316 4.595 10.145 1.00 0.00 H new ATOM 0 HB VAL A 77 134.925 2.236 9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 77 133.795 1.166 11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 77 134.404 2.782 11.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 132.671 2.542 11.392 1.00 0.00 H new ATOM 0 HG21 VAL A 77 133.006 0.708 8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 77 131.886 2.086 9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 77 133.056 1.996 7.735 1.00 0.00 H new ATOM 1020 N PHE A 78 135.345 5.216 7.988 1.00 0.00 N ATOM 1021 CA PHE A 78 135.922 5.650 6.724 1.00 0.00 C ATOM 1022 C PHE A 78 136.923 4.635 6.194 1.00 0.00 C ATOM 1023 O PHE A 78 137.893 4.282 6.864 1.00 0.00 O ATOM 1024 CB PHE A 78 136.597 7.010 6.901 1.00 0.00 C ATOM 1025 CG PHE A 78 135.540 8.058 7.150 1.00 0.00 C ATOM 1026 CD1 PHE A 78 134.911 8.686 6.068 1.00 0.00 C ATOM 1027 CD2 PHE A 78 135.185 8.401 8.461 1.00 0.00 C ATOM 1028 CE1 PHE A 78 133.928 9.656 6.296 1.00 0.00 C ATOM 1029 CE2 PHE A 78 134.202 9.372 8.689 1.00 0.00 C ATOM 1030 CZ PHE A 78 133.573 9.999 7.606 1.00 0.00 C ATOM 0 H PHE A 78 135.807 5.585 8.819 1.00 0.00 H new ATOM 0 HA PHE A 78 135.116 5.737 5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 78 137.297 6.976 7.736 1.00 0.00 H new ATOM 0 HB3 PHE A 78 137.174 7.262 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 78 135.184 8.422 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 78 135.669 7.917 9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 78 133.443 10.140 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 78 133.929 9.637 9.700 1.00 0.00 H new ATOM 0 HZ PHE A 78 132.814 10.747 7.782 1.00 0.00 H new ATOM 1040 N LEU A 79 136.668 4.175 4.976 1.00 0.00 N ATOM 1041 CA LEU A 79 137.532 3.202 4.326 1.00 0.00 C ATOM 1042 C LEU A 79 138.172 3.825 3.092 1.00 0.00 C ATOM 1043 O LEU A 79 137.485 4.421 2.264 1.00 0.00 O ATOM 1044 CB LEU A 79 136.706 1.974 3.926 1.00 0.00 C ATOM 1045 CG LEU A 79 137.624 0.839 3.457 1.00 0.00 C ATOM 1046 CD1 LEU A 79 137.056 -0.500 3.933 1.00 0.00 C ATOM 1047 CD2 LEU A 79 137.693 0.831 1.927 1.00 0.00 C ATOM 0 H LEU A 79 135.865 4.463 4.417 1.00 0.00 H new ATOM 0 HA LEU A 79 138.319 2.896 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 79 136.108 1.639 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 79 136.011 2.240 3.130 1.00 0.00 H new ATOM 0 HG LEU A 79 138.622 0.990 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 79 137.706 -1.310 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 79 136.998 -0.504 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 79 136.059 -0.641 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 138.346 0.023 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 79 136.694 0.680 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 79 138.088 1.784 1.576 1.00 0.00 H new ATOM 1053 N VAL A 80 139.485 3.683 2.970 1.00 0.00 N ATOM 1054 CA VAL A 80 140.192 4.238 1.824 1.00 0.00 C ATOM 1055 C VAL A 80 140.858 3.125 1.030 1.00 0.00 C ATOM 1056 O VAL A 80 141.473 2.224 1.601 1.00 0.00 O ATOM 1057 CB VAL A 80 141.249 5.238 2.294 1.00 0.00 C ATOM 1058 CG1 VAL A 80 140.571 6.404 3.014 1.00 0.00 C ATOM 1059 CG2 VAL A 80 142.215 4.541 3.254 1.00 0.00 C ATOM 0 H VAL A 80 140.076 3.194 3.642 1.00 0.00 H new ATOM 0 HA VAL A 80 139.473 4.751 1.185 1.00 0.00 H new ATOM 0 HB VAL A 80 141.798 5.616 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 80 141.327 7.115 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 80 139.881 6.901 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 80 140.020 6.028 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 80 142.970 5.252 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 80 141.663 4.163 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 80 142.701 3.711 2.742 1.00 0.00 H new ATOM 1063 N CYS A 81 140.729 3.188 -0.290 1.00 0.00 N ATOM 1064 CA CYS A 81 141.322 2.172 -1.146 1.00 0.00 C ATOM 1065 C CYS A 81 142.118 2.811 -2.276 1.00 0.00 C ATOM 1066 O CYS A 81 141.641 3.722 -2.956 1.00 0.00 O ATOM 1067 CB CYS A 81 140.232 1.275 -1.730 1.00 0.00 C ATOM 1068 SG CYS A 81 140.642 -0.456 -1.398 1.00 0.00 S ATOM 0 H CYS A 81 140.225 3.924 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 81 141.999 1.571 -0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 81 139.266 1.523 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 81 140.145 1.441 -2.804 1.00 0.00 H new ATOM 0 HG CYS A 81 140.234 -1.196 -2.386 1.00 0.00 H new ATOM 1074 N PHE A 82 143.332 2.320 -2.469 1.00 0.00 N ATOM 1075 CA PHE A 82 144.202 2.833 -3.516 1.00 0.00 C ATOM 1076 C PHE A 82 145.173 1.753 -3.967 1.00 0.00 C ATOM 1077 O PHE A 82 145.650 0.961 -3.156 1.00 0.00 O ATOM 1078 CB PHE A 82 144.988 4.027 -2.985 1.00 0.00 C ATOM 1079 CG PHE A 82 145.825 3.577 -1.812 1.00 0.00 C ATOM 1080 CD1 PHE A 82 145.256 3.505 -0.535 1.00 0.00 C ATOM 1081 CD2 PHE A 82 147.167 3.225 -1.999 1.00 0.00 C ATOM 1082 CE1 PHE A 82 146.028 3.082 0.554 1.00 0.00 C ATOM 1083 CE2 PHE A 82 147.939 2.802 -0.911 1.00 0.00 C ATOM 1084 CZ PHE A 82 147.370 2.731 0.366 1.00 0.00 C ATOM 0 H PHE A 82 143.738 1.566 -1.914 1.00 0.00 H new ATOM 0 HA PHE A 82 143.591 3.141 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 82 145.626 4.437 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 82 144.307 4.821 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 82 144.221 3.776 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 82 147.607 3.280 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 82 145.588 3.027 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 82 148.974 2.530 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 82 147.966 2.406 1.206 1.00 0.00 H new ATOM 1094 N SER A 83 145.477 1.734 -5.257 1.00 0.00 N ATOM 1095 CA SER A 83 146.405 0.749 -5.788 1.00 0.00 C ATOM 1096 C SER A 83 147.697 0.788 -4.994 1.00 0.00 C ATOM 1097 O SER A 83 148.241 1.859 -4.726 1.00 0.00 O ATOM 1098 CB SER A 83 146.685 1.033 -7.261 1.00 0.00 C ATOM 1099 OG SER A 83 147.794 0.254 -7.685 1.00 0.00 O ATOM 0 H SER A 83 145.099 2.382 -5.948 1.00 0.00 H new ATOM 0 HA SER A 83 145.962 -0.243 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 83 145.808 0.796 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 83 146.893 2.093 -7.406 1.00 0.00 H new ATOM 0 HG SER A 83 147.759 0.137 -8.657 1.00 0.00 H new ATOM 1105 N VAL A 84 148.168 -0.383 -4.594 1.00 0.00 N ATOM 1106 CA VAL A 84 149.385 -0.458 -3.796 1.00 0.00 C ATOM 1107 C VAL A 84 150.597 -0.813 -4.647 1.00 0.00 C ATOM 1108 O VAL A 84 151.596 -1.335 -4.140 1.00 0.00 O ATOM 1109 CB VAL A 84 149.191 -1.497 -2.705 1.00 0.00 C ATOM 1110 CG1 VAL A 84 148.620 -0.811 -1.463 1.00 0.00 C ATOM 1111 CG2 VAL A 84 148.204 -2.553 -3.205 1.00 0.00 C ATOM 0 H VAL A 84 147.735 -1.282 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 84 149.574 0.522 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 84 150.142 -1.969 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 84 148.477 -1.549 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 84 149.313 -0.043 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 84 147.662 -0.352 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 84 148.055 -3.306 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 84 147.251 -2.079 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 84 148.602 -3.028 -4.102 1.00 0.00 H new ATOM 1115 N VAL A 85 150.510 -0.515 -5.937 1.00 0.00 N ATOM 1116 CA VAL A 85 151.609 -0.798 -6.846 1.00 0.00 C ATOM 1117 C VAL A 85 152.212 0.496 -7.380 1.00 0.00 C ATOM 1118 O VAL A 85 153.062 0.475 -8.271 1.00 0.00 O ATOM 1119 CB VAL A 85 151.111 -1.650 -8.011 1.00 0.00 C ATOM 1120 CG1 VAL A 85 150.644 -0.745 -9.152 1.00 0.00 C ATOM 1121 CG2 VAL A 85 152.253 -2.542 -8.494 1.00 0.00 C ATOM 0 H VAL A 85 149.696 -0.081 -6.373 1.00 0.00 H new ATOM 0 HA VAL A 85 152.379 -1.342 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 85 150.273 -2.267 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 85 150.290 -1.358 -9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 85 149.834 -0.106 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 85 151.475 -0.125 -9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 85 151.908 -3.155 -9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 85 153.086 -1.921 -8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 85 152.580 -3.187 -7.679 1.00 0.00 H new ATOM 1125 N SER A 86 151.770 1.620 -6.828 1.00 0.00 N ATOM 1126 CA SER A 86 152.280 2.916 -7.258 1.00 0.00 C ATOM 1127 C SER A 86 152.837 3.686 -6.060 1.00 0.00 C ATOM 1128 O SER A 86 152.374 3.508 -4.933 1.00 0.00 O ATOM 1129 CB SER A 86 151.163 3.724 -7.917 1.00 0.00 C ATOM 1130 OG SER A 86 149.947 2.992 -7.839 1.00 0.00 O ATOM 0 H SER A 86 151.067 1.661 -6.090 1.00 0.00 H new ATOM 0 HA SER A 86 153.080 2.756 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 86 151.053 4.688 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 86 151.412 3.929 -8.958 1.00 0.00 H new ATOM 0 HG SER A 86 149.380 3.217 -8.606 1.00 0.00 H new ATOM 1136 N PRO A 87 153.820 4.523 -6.274 1.00 0.00 N ATOM 1137 CA PRO A 87 154.448 5.318 -5.177 1.00 0.00 C ATOM 1138 C PRO A 87 153.561 6.454 -4.668 1.00 0.00 C ATOM 1139 O PRO A 87 153.543 6.742 -3.474 1.00 0.00 O ATOM 1140 CB PRO A 87 155.715 5.877 -5.825 1.00 0.00 C ATOM 1141 CG PRO A 87 155.404 5.959 -7.280 1.00 0.00 C ATOM 1142 CD PRO A 87 154.445 4.808 -7.578 1.00 0.00 C ATOM 0 HA PRO A 87 154.632 4.703 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 87 155.965 6.857 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 87 156.571 5.228 -5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 87 154.949 6.918 -7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 87 156.312 5.874 -7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 87 153.702 5.090 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 87 154.974 3.938 -7.967 1.00 0.00 H new ATOM 1150 N SER A 88 152.848 7.113 -5.578 1.00 0.00 N ATOM 1151 CA SER A 88 151.990 8.234 -5.196 1.00 0.00 C ATOM 1152 C SER A 88 150.602 7.778 -4.744 1.00 0.00 C ATOM 1153 O SER A 88 149.879 8.534 -4.094 1.00 0.00 O ATOM 1154 CB SER A 88 151.844 9.193 -6.376 1.00 0.00 C ATOM 1155 OG SER A 88 151.007 8.599 -7.360 1.00 0.00 O ATOM 0 H SER A 88 152.846 6.895 -6.574 1.00 0.00 H new ATOM 0 HA SER A 88 152.466 8.733 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 88 151.417 10.138 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 88 152.822 9.417 -6.801 1.00 0.00 H new ATOM 0 HG SER A 88 150.909 9.211 -8.119 1.00 0.00 H new ATOM 1161 N SER A 89 150.221 6.557 -5.101 1.00 0.00 N ATOM 1162 CA SER A 89 148.905 6.044 -4.730 1.00 0.00 C ATOM 1163 C SER A 89 148.711 6.026 -3.214 1.00 0.00 C ATOM 1164 O SER A 89 147.604 6.251 -2.724 1.00 0.00 O ATOM 1165 CB SER A 89 148.722 4.633 -5.288 1.00 0.00 C ATOM 1166 OG SER A 89 148.868 4.668 -6.700 1.00 0.00 O ATOM 0 H SER A 89 150.796 5.910 -5.640 1.00 0.00 H new ATOM 0 HA SER A 89 148.156 6.712 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 89 149.457 3.958 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 89 147.738 4.248 -5.021 1.00 0.00 H new ATOM 0 HG SER A 89 149.022 3.760 -7.036 1.00 0.00 H new ATOM 1172 N PHE A 90 149.779 5.747 -2.475 1.00 0.00 N ATOM 1173 CA PHE A 90 149.687 5.693 -1.018 1.00 0.00 C ATOM 1174 C PHE A 90 149.959 7.059 -0.392 1.00 0.00 C ATOM 1175 O PHE A 90 149.448 7.369 0.684 1.00 0.00 O ATOM 1176 CB PHE A 90 150.672 4.662 -0.461 1.00 0.00 C ATOM 1177 CG PHE A 90 152.005 5.317 -0.185 1.00 0.00 C ATOM 1178 CD1 PHE A 90 152.228 5.955 1.041 1.00 0.00 C ATOM 1179 CD2 PHE A 90 153.019 5.278 -1.150 1.00 0.00 C ATOM 1180 CE1 PHE A 90 153.465 6.556 1.302 1.00 0.00 C ATOM 1181 CE2 PHE A 90 154.257 5.877 -0.887 1.00 0.00 C ATOM 1182 CZ PHE A 90 154.480 6.516 0.339 1.00 0.00 C ATOM 0 H PHE A 90 150.707 5.557 -2.853 1.00 0.00 H new ATOM 0 HA PHE A 90 148.670 5.396 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 90 150.275 4.226 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 90 150.799 3.846 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 90 151.446 5.983 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 90 152.846 4.786 -2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 90 153.636 7.051 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 90 155.040 5.846 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 90 155.435 6.978 0.541 1.00 0.00 H new ATOM 1192 N GLU A 91 150.773 7.867 -1.062 1.00 0.00 N ATOM 1193 CA GLU A 91 151.110 9.192 -0.547 1.00 0.00 C ATOM 1194 C GLU A 91 149.883 10.093 -0.462 1.00 0.00 C ATOM 1195 O GLU A 91 149.809 10.958 0.404 1.00 0.00 O ATOM 1196 CB GLU A 91 152.153 9.861 -1.444 1.00 0.00 C ATOM 1197 CG GLU A 91 153.482 9.117 -1.326 1.00 0.00 C ATOM 1198 CD GLU A 91 154.541 9.805 -2.180 1.00 0.00 C ATOM 1199 OE1 GLU A 91 154.179 10.688 -2.939 1.00 0.00 O ATOM 1200 OE2 GLU A 91 155.699 9.440 -2.060 1.00 0.00 O ATOM 0 H GLU A 91 151.209 7.633 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 91 151.512 9.054 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 91 151.813 9.857 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 91 152.281 10.904 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 91 153.803 9.091 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 91 153.359 8.083 -1.647 1.00 0.00 H new ATOM 1207 N ASN A 92 148.932 9.909 -1.367 1.00 0.00 N ATOM 1208 CA ASN A 92 147.737 10.744 -1.363 1.00 0.00 C ATOM 1209 C ASN A 92 146.717 10.276 -0.326 1.00 0.00 C ATOM 1210 O ASN A 92 146.033 11.087 0.296 1.00 0.00 O ATOM 1211 CB ASN A 92 147.090 10.728 -2.749 1.00 0.00 C ATOM 1212 CG ASN A 92 148.017 11.383 -3.765 1.00 0.00 C ATOM 1213 OD1 ASN A 92 148.933 12.115 -3.391 1.00 0.00 O ATOM 1214 ND2 ASN A 92 147.832 11.163 -5.039 1.00 0.00 N ATOM 0 H ASN A 92 148.961 9.202 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 92 148.045 11.756 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 92 146.877 9.702 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 92 146.137 11.256 -2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 92 148.447 11.598 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 92 147.072 10.556 -5.347 1.00 0.00 H new ATOM 1219 N VAL A 93 146.591 8.968 -0.174 1.00 0.00 N ATOM 1220 CA VAL A 93 145.615 8.406 0.755 1.00 0.00 C ATOM 1221 C VAL A 93 145.950 8.674 2.217 1.00 0.00 C ATOM 1222 O VAL A 93 145.175 9.308 2.934 1.00 0.00 O ATOM 1223 CB VAL A 93 145.529 6.902 0.545 1.00 0.00 C ATOM 1224 CG1 VAL A 93 144.619 6.296 1.610 1.00 0.00 C ATOM 1225 CG2 VAL A 93 144.961 6.618 -0.846 1.00 0.00 C ATOM 0 H VAL A 93 147.147 8.276 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 93 144.664 8.895 0.543 1.00 0.00 H new ATOM 0 HB VAL A 93 146.522 6.460 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 93 144.555 5.218 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 93 145.028 6.504 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 93 143.624 6.733 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 93 144.898 5.541 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 93 143.966 7.055 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 93 145.614 7.055 -1.602 1.00 0.00 H new ATOM 1229 N LYS A 94 147.077 8.148 2.663 1.00 0.00 N ATOM 1230 CA LYS A 94 147.476 8.283 4.057 1.00 0.00 C ATOM 1231 C LYS A 94 147.894 9.708 4.424 1.00 0.00 C ATOM 1232 O LYS A 94 148.145 9.983 5.597 1.00 0.00 O ATOM 1233 CB LYS A 94 148.628 7.322 4.348 1.00 0.00 C ATOM 1234 CG LYS A 94 148.173 5.881 4.084 1.00 0.00 C ATOM 1235 CD LYS A 94 149.305 4.918 4.451 1.00 0.00 C ATOM 1236 CE LYS A 94 148.935 3.498 4.017 1.00 0.00 C ATOM 1237 NZ LYS A 94 150.032 2.938 3.177 1.00 0.00 N ATOM 0 H LYS A 94 147.732 7.624 2.083 1.00 0.00 H new ATOM 0 HA LYS A 94 146.605 8.040 4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 94 149.485 7.565 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 94 148.951 7.428 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 94 147.283 5.655 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 94 147.902 5.759 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 94 150.231 5.228 3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 94 149.484 4.945 5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 94 148.774 2.868 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 94 148.001 3.509 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 149.769 1.986 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 150.188 3.554 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 150.906 2.883 3.738 1.00 0.00 H new ATOM 1251 N GLU A 95 147.992 10.608 3.445 1.00 0.00 N ATOM 1252 CA GLU A 95 148.413 11.979 3.762 1.00 0.00 C ATOM 1253 C GLU A 95 147.510 13.054 3.149 1.00 0.00 C ATOM 1254 O GLU A 95 147.072 13.960 3.849 1.00 0.00 O ATOM 1255 CB GLU A 95 149.850 12.207 3.295 1.00 0.00 C ATOM 1256 CG GLU A 95 150.367 13.525 3.873 1.00 0.00 C ATOM 1257 CD GLU A 95 151.759 13.820 3.325 1.00 0.00 C ATOM 1258 OE1 GLU A 95 152.237 13.036 2.522 1.00 0.00 O ATOM 1259 OE2 GLU A 95 152.327 14.827 3.717 1.00 0.00 O ATOM 0 H GLU A 95 147.795 10.427 2.461 1.00 0.00 H new ATOM 0 HA GLU A 95 148.337 12.076 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 95 150.485 11.382 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 95 149.891 12.234 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 95 149.686 14.337 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 95 150.399 13.467 4.961 1.00 0.00 H new ATOM 1266 N LYS A 96 147.280 12.996 1.842 1.00 0.00 N ATOM 1267 CA LYS A 96 146.469 14.025 1.180 1.00 0.00 C ATOM 1268 C LYS A 96 144.970 13.888 1.473 1.00 0.00 C ATOM 1269 O LYS A 96 144.281 14.889 1.697 1.00 0.00 O ATOM 1270 CB LYS A 96 146.695 13.980 -0.336 1.00 0.00 C ATOM 1271 CG LYS A 96 146.060 15.208 -1.004 1.00 0.00 C ATOM 1272 CD LYS A 96 147.006 16.411 -0.908 1.00 0.00 C ATOM 1273 CE LYS A 96 146.403 17.594 -1.668 1.00 0.00 C ATOM 1274 NZ LYS A 96 147.478 18.302 -2.420 1.00 0.00 N ATOM 0 H LYS A 96 147.633 12.265 1.225 1.00 0.00 H new ATOM 0 HA LYS A 96 146.794 14.983 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 96 147.763 13.952 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 96 146.263 13.068 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 96 145.842 14.990 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 96 145.111 15.443 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 96 147.166 16.679 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 96 147.980 16.156 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 96 145.633 17.244 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 96 145.920 18.279 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 147.068 19.106 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 148.197 18.649 -1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 147.920 17.646 -3.095 1.00 0.00 H new ATOM 1288 N TRP A 97 144.450 12.664 1.450 1.00 0.00 N ATOM 1289 CA TRP A 97 143.021 12.467 1.682 1.00 0.00 C ATOM 1290 C TRP A 97 142.677 12.292 3.167 1.00 0.00 C ATOM 1291 O TRP A 97 141.595 12.687 3.601 1.00 0.00 O ATOM 1292 CB TRP A 97 142.531 11.256 0.883 1.00 0.00 C ATOM 1293 CG TRP A 97 142.663 11.538 -0.586 1.00 0.00 C ATOM 1294 CD1 TRP A 97 143.575 10.970 -1.413 1.00 0.00 C ATOM 1295 CD2 TRP A 97 141.878 12.445 -1.414 1.00 0.00 C ATOM 1296 NE1 TRP A 97 143.397 11.467 -2.691 1.00 0.00 N ATOM 1297 CE2 TRP A 97 142.365 12.380 -2.744 1.00 0.00 C ATOM 1298 CE3 TRP A 97 140.802 13.310 -1.146 1.00 0.00 C ATOM 1299 CZ2 TRP A 97 141.803 13.144 -3.766 1.00 0.00 C ATOM 1300 CZ3 TRP A 97 140.235 14.081 -2.175 1.00 0.00 C ATOM 1301 CH2 TRP A 97 140.735 13.999 -3.481 1.00 0.00 C ATOM 0 H TRP A 97 144.982 11.811 1.277 1.00 0.00 H new ATOM 0 HA TRP A 97 142.512 13.370 1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 97 143.112 10.373 1.148 1.00 0.00 H new ATOM 0 HB3 TRP A 97 141.492 11.040 1.131 1.00 0.00 H new ATOM 0 HD1 TRP A 97 144.321 10.246 -1.121 1.00 0.00 H new ATOM 0 HE1 TRP A 97 143.960 11.192 -3.496 1.00 0.00 H new ATOM 0 HE3 TRP A 97 140.409 13.382 -0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 142.191 13.075 -4.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 139.408 14.741 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 97 140.296 14.596 -4.267 1.00 0.00 H new ATOM 1312 N VAL A 98 143.576 11.688 3.940 1.00 0.00 N ATOM 1313 CA VAL A 98 143.306 11.466 5.364 1.00 0.00 C ATOM 1314 C VAL A 98 142.908 12.766 6.070 1.00 0.00 C ATOM 1315 O VAL A 98 141.953 12.781 6.847 1.00 0.00 O ATOM 1316 CB VAL A 98 144.523 10.822 6.050 1.00 0.00 C ATOM 1317 CG1 VAL A 98 144.805 11.501 7.397 1.00 0.00 C ATOM 1318 CG2 VAL A 98 144.229 9.340 6.295 1.00 0.00 C ATOM 0 H VAL A 98 144.482 11.348 3.616 1.00 0.00 H new ATOM 0 HA VAL A 98 142.462 10.780 5.440 1.00 0.00 H new ATOM 0 HB VAL A 98 145.394 10.939 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 98 145.669 11.032 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 98 145.010 12.559 7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 98 143.936 11.395 8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 98 145.086 8.875 6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 98 143.352 9.244 6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 98 144.039 8.845 5.343 1.00 0.00 H new ATOM 1322 N PRO A 99 143.607 13.845 5.826 1.00 0.00 N ATOM 1323 CA PRO A 99 143.298 15.153 6.465 1.00 0.00 C ATOM 1324 C PRO A 99 141.931 15.669 6.046 1.00 0.00 C ATOM 1325 O PRO A 99 141.150 16.126 6.880 1.00 0.00 O ATOM 1326 CB PRO A 99 144.401 16.099 5.980 1.00 0.00 C ATOM 1327 CG PRO A 99 145.436 15.241 5.332 1.00 0.00 C ATOM 1328 CD PRO A 99 144.749 13.940 4.921 1.00 0.00 C ATOM 0 HA PRO A 99 143.268 15.070 7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 99 144.004 16.829 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 99 144.826 16.659 6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 99 145.863 15.742 4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 99 146.257 15.042 6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 99 144.432 13.968 3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 99 145.416 13.085 5.028 1.00 0.00 H new ATOM 1336 N GLU A 100 141.639 15.591 4.749 1.00 0.00 N ATOM 1337 CA GLU A 100 140.349 16.056 4.262 1.00 0.00 C ATOM 1338 C GLU A 100 139.227 15.308 4.976 1.00 0.00 C ATOM 1339 O GLU A 100 138.217 15.898 5.356 1.00 0.00 O ATOM 1340 CB GLU A 100 140.240 15.837 2.753 1.00 0.00 C ATOM 1341 CG GLU A 100 138.941 16.464 2.245 1.00 0.00 C ATOM 1342 CD GLU A 100 138.764 16.174 0.759 1.00 0.00 C ATOM 1343 OE1 GLU A 100 139.624 15.517 0.198 1.00 0.00 O ATOM 1344 OE2 GLU A 100 137.770 16.614 0.205 1.00 0.00 O ATOM 0 H GLU A 100 142.264 15.219 4.034 1.00 0.00 H new ATOM 0 HA GLU A 100 140.260 17.123 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 100 141.096 16.283 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 100 140.256 14.771 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 100 138.094 16.067 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 100 138.958 17.541 2.414 1.00 0.00 H new ATOM 1351 N ILE A 101 139.423 14.006 5.168 1.00 0.00 N ATOM 1352 CA ILE A 101 138.432 13.185 5.855 1.00 0.00 C ATOM 1353 C ILE A 101 138.437 13.485 7.351 1.00 0.00 C ATOM 1354 O ILE A 101 137.395 13.454 8.008 1.00 0.00 O ATOM 1355 CB ILE A 101 138.735 11.702 5.632 1.00 0.00 C ATOM 1356 CG1 ILE A 101 138.705 11.395 4.133 1.00 0.00 C ATOM 1357 CG2 ILE A 101 137.682 10.855 6.350 1.00 0.00 C ATOM 1358 CD1 ILE A 101 139.139 9.946 3.896 1.00 0.00 C ATOM 0 H ILE A 101 140.253 13.500 4.860 1.00 0.00 H new ATOM 0 HA ILE A 101 137.448 13.419 5.449 1.00 0.00 H new ATOM 0 HB ILE A 101 139.722 11.467 6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 101 137.701 11.553 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 101 139.368 12.076 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 101 137.896 9.798 6.192 1.00 0.00 H new ATOM 0 HG22 ILE A 101 137.704 11.075 7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 101 136.694 11.088 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 101 139.117 9.730 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 101 140.151 9.803 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 101 138.458 9.273 4.417 1.00 0.00 H new ATOM 1362 N THR A 102 139.624 13.763 7.884 1.00 0.00 N ATOM 1363 CA THR A 102 139.771 14.055 9.308 1.00 0.00 C ATOM 1364 C THR A 102 138.815 15.160 9.745 1.00 0.00 C ATOM 1365 O THR A 102 138.244 15.099 10.834 1.00 0.00 O ATOM 1366 CB THR A 102 141.211 14.481 9.605 1.00 0.00 C ATOM 1367 OG1 THR A 102 142.105 13.479 9.145 1.00 0.00 O ATOM 1368 CG2 THR A 102 141.389 14.674 11.112 1.00 0.00 C ATOM 0 H THR A 102 140.495 13.792 7.354 1.00 0.00 H new ATOM 0 HA THR A 102 139.531 13.150 9.865 1.00 0.00 H new ATOM 0 HB THR A 102 141.424 15.420 9.094 1.00 0.00 H new ATOM 0 HG1 THR A 102 142.100 13.461 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 102 142.415 14.977 11.321 1.00 0.00 H new ATOM 0 HG22 THR A 102 140.704 15.445 11.463 1.00 0.00 H new ATOM 0 HG23 THR A 102 141.175 13.737 11.627 1.00 0.00 H new ATOM 1373 N HIS A 103 138.644 16.170 8.901 1.00 0.00 N ATOM 1374 CA HIS A 103 137.754 17.278 9.230 1.00 0.00 C ATOM 1375 C HIS A 103 136.350 16.766 9.540 1.00 0.00 C ATOM 1376 O HIS A 103 135.736 17.171 10.527 1.00 0.00 O ATOM 1377 CB HIS A 103 137.692 18.265 8.062 1.00 0.00 C ATOM 1378 CG HIS A 103 136.869 19.460 8.456 1.00 0.00 C ATOM 1379 ND1 HIS A 103 137.279 20.351 9.435 1.00 0.00 N ATOM 1380 CD2 HIS A 103 135.656 19.925 8.011 1.00 0.00 C ATOM 1381 CE1 HIS A 103 136.330 21.298 9.545 1.00 0.00 C ATOM 1382 NE2 HIS A 103 135.318 21.086 8.699 1.00 0.00 N ATOM 0 H HIS A 103 139.104 16.246 7.994 1.00 0.00 H new ATOM 0 HA HIS A 103 138.147 17.783 10.112 1.00 0.00 H new ATOM 0 HB2 HIS A 103 138.698 18.579 7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 103 137.256 17.782 7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 103 135.055 19.460 7.243 1.00 0.00 H new ATOM 0 HE1 HIS A 103 136.380 22.129 10.233 1.00 0.00 H new ATOM 0 HE2 HIS A 103 134.478 21.653 8.583 1.00 0.00 H new ATOM 1390 N HIS A 104 135.847 15.875 8.691 1.00 0.00 N ATOM 1391 CA HIS A 104 134.513 15.317 8.887 1.00 0.00 C ATOM 1392 C HIS A 104 134.427 14.563 10.212 1.00 0.00 C ATOM 1393 O HIS A 104 133.460 14.710 10.960 1.00 0.00 O ATOM 1394 CB HIS A 104 134.171 14.368 7.738 1.00 0.00 C ATOM 1395 CG HIS A 104 134.148 15.136 6.445 1.00 0.00 C ATOM 1396 ND1 HIS A 104 135.235 15.169 5.586 1.00 0.00 N ATOM 1397 CD2 HIS A 104 133.178 15.904 5.851 1.00 0.00 C ATOM 1398 CE1 HIS A 104 134.897 15.935 4.532 1.00 0.00 C ATOM 1399 NE2 HIS A 104 133.653 16.408 4.645 1.00 0.00 N ATOM 0 H HIS A 104 136.338 15.526 7.868 1.00 0.00 H new ATOM 0 HA HIS A 104 133.799 16.141 8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 104 134.906 13.565 7.684 1.00 0.00 H new ATOM 0 HB3 HIS A 104 133.202 13.901 7.914 1.00 0.00 H new ATOM 0 HD2 HIS A 104 132.195 16.089 6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 104 135.551 16.142 3.698 1.00 0.00 H new ATOM 0 HE2 HIS A 104 133.157 17.010 3.987 1.00 0.00 H new ATOM 1407 N CYS A 105 135.441 13.751 10.492 1.00 0.00 N ATOM 1408 CA CYS A 105 135.470 12.970 11.723 1.00 0.00 C ATOM 1409 C CYS A 105 136.817 13.129 12.427 1.00 0.00 C ATOM 1410 O CYS A 105 137.734 12.337 12.207 1.00 0.00 O ATOM 1411 CB CYS A 105 135.234 11.492 11.405 1.00 0.00 C ATOM 1412 SG CYS A 105 133.582 11.011 11.968 1.00 0.00 S ATOM 0 H CYS A 105 136.250 13.617 9.886 1.00 0.00 H new ATOM 0 HA CYS A 105 134.682 13.334 12.382 1.00 0.00 H new ATOM 0 HB2 CYS A 105 135.329 11.320 10.333 1.00 0.00 H new ATOM 0 HB3 CYS A 105 135.990 10.878 11.895 1.00 0.00 H new ATOM 0 HG CYS A 105 133.379 9.756 11.696 1.00 0.00 H new ATOM 1418 N PRO A 106 136.957 14.130 13.258 1.00 0.00 N ATOM 1419 CA PRO A 106 138.230 14.383 13.995 1.00 0.00 C ATOM 1420 C PRO A 106 138.731 13.139 14.726 1.00 0.00 C ATOM 1421 O PRO A 106 139.936 12.915 14.829 1.00 0.00 O ATOM 1422 CB PRO A 106 137.868 15.488 14.990 1.00 0.00 C ATOM 1423 CG PRO A 106 136.671 16.171 14.416 1.00 0.00 C ATOM 1424 CD PRO A 106 135.926 15.128 13.584 1.00 0.00 C ATOM 0 HA PRO A 106 139.039 14.661 13.320 1.00 0.00 H new ATOM 0 HB2 PRO A 106 137.648 15.073 15.973 1.00 0.00 H new ATOM 0 HB3 PRO A 106 138.695 16.187 15.117 1.00 0.00 H new ATOM 0 HG2 PRO A 106 136.032 16.562 15.208 1.00 0.00 H new ATOM 0 HG3 PRO A 106 136.968 17.018 13.798 1.00 0.00 H new ATOM 0 HD2 PRO A 106 135.103 14.684 14.144 1.00 0.00 H new ATOM 0 HD3 PRO A 106 135.497 15.568 12.684 1.00 0.00 H new ATOM 1432 N LYS A 107 137.801 12.331 15.232 1.00 0.00 N ATOM 1433 CA LYS A 107 138.178 11.114 15.947 1.00 0.00 C ATOM 1434 C LYS A 107 137.186 9.989 15.654 1.00 0.00 C ATOM 1435 O LYS A 107 136.026 10.049 16.066 1.00 0.00 O ATOM 1436 CB LYS A 107 138.212 11.396 17.455 1.00 0.00 C ATOM 1437 CG LYS A 107 138.733 10.169 18.218 1.00 0.00 C ATOM 1438 CD LYS A 107 140.260 10.104 18.123 1.00 0.00 C ATOM 1439 CE LYS A 107 140.789 9.053 19.101 1.00 0.00 C ATOM 1440 NZ LYS A 107 141.954 8.350 18.493 1.00 0.00 N ATOM 0 H LYS A 107 136.796 12.493 15.162 1.00 0.00 H new ATOM 0 HA LYS A 107 139.166 10.801 15.610 1.00 0.00 H new ATOM 0 HB2 LYS A 107 138.851 12.256 17.656 1.00 0.00 H new ATOM 0 HB3 LYS A 107 137.213 11.653 17.806 1.00 0.00 H new ATOM 0 HG2 LYS A 107 138.427 10.223 19.263 1.00 0.00 H new ATOM 0 HG3 LYS A 107 138.295 9.260 17.804 1.00 0.00 H new ATOM 0 HD2 LYS A 107 140.561 9.854 17.106 1.00 0.00 H new ATOM 0 HD3 LYS A 107 140.691 11.079 18.352 1.00 0.00 H new ATOM 0 HE2 LYS A 107 141.085 9.528 20.037 1.00 0.00 H new ATOM 0 HE3 LYS A 107 140.003 8.337 19.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 142.314 7.636 19.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 141.657 7.885 17.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 142.705 9.039 18.285 1.00 0.00 H new ATOM 1454 N THR A 108 137.651 8.961 14.949 1.00 0.00 N ATOM 1455 CA THR A 108 136.798 7.823 14.617 1.00 0.00 C ATOM 1456 C THR A 108 137.632 6.696 14.001 1.00 0.00 C ATOM 1457 O THR A 108 138.657 6.952 13.375 1.00 0.00 O ATOM 1458 CB THR A 108 135.697 8.269 13.643 1.00 0.00 C ATOM 1459 OG1 THR A 108 134.442 7.774 14.090 1.00 0.00 O ATOM 1460 CG2 THR A 108 135.979 7.742 12.232 1.00 0.00 C ATOM 0 H THR A 108 138.606 8.892 14.599 1.00 0.00 H new ATOM 0 HA THR A 108 136.334 7.447 15.529 1.00 0.00 H new ATOM 0 HB THR A 108 135.677 9.358 13.612 1.00 0.00 H new ATOM 0 HG1 THR A 108 133.738 8.059 13.470 1.00 0.00 H new ATOM 0 HG21 THR A 108 135.188 8.068 11.557 1.00 0.00 H new ATOM 0 HG22 THR A 108 136.936 8.129 11.884 1.00 0.00 H new ATOM 0 HG23 THR A 108 136.013 6.653 12.251 1.00 0.00 H new ATOM 1465 N PRO A 109 137.213 5.464 14.155 1.00 0.00 N ATOM 1466 CA PRO A 109 137.946 4.294 13.584 1.00 0.00 C ATOM 1467 C PRO A 109 138.036 4.386 12.063 1.00 0.00 C ATOM 1468 O PRO A 109 137.098 4.845 11.410 1.00 0.00 O ATOM 1469 CB PRO A 109 137.119 3.078 14.018 1.00 0.00 C ATOM 1470 CG PRO A 109 135.783 3.612 14.423 1.00 0.00 C ATOM 1471 CD PRO A 109 136.004 5.052 14.880 1.00 0.00 C ATOM 0 HA PRO A 109 138.976 4.241 13.935 1.00 0.00 H new ATOM 0 HB2 PRO A 109 137.022 2.361 13.203 1.00 0.00 H new ATOM 0 HB3 PRO A 109 137.598 2.556 14.846 1.00 0.00 H new ATOM 0 HG2 PRO A 109 135.082 3.574 13.589 1.00 0.00 H new ATOM 0 HG3 PRO A 109 135.354 3.013 15.226 1.00 0.00 H new ATOM 0 HD2 PRO A 109 135.153 5.686 14.632 1.00 0.00 H new ATOM 0 HD3 PRO A 109 136.144 5.113 15.959 1.00 0.00 H new ATOM 1479 N PHE A 110 139.168 3.971 11.499 1.00 0.00 N ATOM 1480 CA PHE A 110 139.343 4.045 10.051 1.00 0.00 C ATOM 1481 C PHE A 110 139.964 2.769 9.501 1.00 0.00 C ATOM 1482 O PHE A 110 140.905 2.221 10.074 1.00 0.00 O ATOM 1483 CB PHE A 110 140.237 5.238 9.701 1.00 0.00 C ATOM 1484 CG PHE A 110 140.663 5.931 10.974 1.00 0.00 C ATOM 1485 CD1 PHE A 110 141.335 5.210 11.966 1.00 0.00 C ATOM 1486 CD2 PHE A 110 140.381 7.289 11.164 1.00 0.00 C ATOM 1487 CE1 PHE A 110 141.724 5.843 13.152 1.00 0.00 C ATOM 1488 CE2 PHE A 110 140.771 7.925 12.350 1.00 0.00 C ATOM 1489 CZ PHE A 110 141.442 7.202 13.345 1.00 0.00 C ATOM 0 H PHE A 110 139.963 3.587 12.010 1.00 0.00 H new ATOM 0 HA PHE A 110 138.359 4.169 9.598 1.00 0.00 H new ATOM 0 HB2 PHE A 110 141.112 4.901 9.146 1.00 0.00 H new ATOM 0 HB3 PHE A 110 139.699 5.934 9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 110 141.554 4.163 11.817 1.00 0.00 H new ATOM 0 HD2 PHE A 110 139.863 7.846 10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 110 142.241 5.284 13.918 1.00 0.00 H new ATOM 0 HE2 PHE A 110 140.554 8.973 12.497 1.00 0.00 H new ATOM 0 HZ PHE A 110 141.742 7.692 14.260 1.00 0.00 H new ATOM 1499 N LEU A 111 139.439 2.303 8.376 1.00 0.00 N ATOM 1500 CA LEU A 111 139.966 1.093 7.759 1.00 0.00 C ATOM 1501 C LEU A 111 140.985 1.435 6.680 1.00 0.00 C ATOM 1502 O LEU A 111 140.727 2.257 5.799 1.00 0.00 O ATOM 1503 CB LEU A 111 138.831 0.258 7.153 1.00 0.00 C ATOM 1504 CG LEU A 111 137.990 -0.372 8.271 1.00 0.00 C ATOM 1505 CD1 LEU A 111 137.006 0.656 8.842 1.00 0.00 C ATOM 1506 CD2 LEU A 111 137.206 -1.559 7.705 1.00 0.00 C ATOM 0 H LEU A 111 138.661 2.736 7.878 1.00 0.00 H new ATOM 0 HA LEU A 111 140.460 0.510 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 111 138.202 0.887 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 111 139.244 -0.522 6.513 1.00 0.00 H new ATOM 0 HG LEU A 111 138.654 -0.707 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 111 136.416 0.194 9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 111 137.559 1.503 9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 111 136.342 1.003 8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 111 136.607 -2.010 8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 111 136.551 -1.214 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 111 137.902 -2.299 7.310 1.00 0.00 H new ATOM 1512 N LEU A 112 142.141 0.785 6.751 1.00 0.00 N ATOM 1513 CA LEU A 112 143.197 1.008 5.771 1.00 0.00 C ATOM 1514 C LEU A 112 143.125 -0.075 4.704 1.00 0.00 C ATOM 1515 O LEU A 112 143.092 -1.263 5.023 1.00 0.00 O ATOM 1516 CB LEU A 112 144.567 0.971 6.454 1.00 0.00 C ATOM 1517 CG LEU A 112 145.652 1.379 5.452 1.00 0.00 C ATOM 1518 CD1 LEU A 112 145.482 2.854 5.079 1.00 0.00 C ATOM 1519 CD2 LEU A 112 147.035 1.174 6.081 1.00 0.00 C ATOM 0 H LEU A 112 142.370 0.102 7.473 1.00 0.00 H new ATOM 0 HA LEU A 112 143.061 1.987 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 112 144.576 1.646 7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 112 144.768 -0.030 6.835 1.00 0.00 H new ATOM 0 HG LEU A 112 145.562 0.764 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 112 146.255 3.141 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 112 144.500 3.005 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 112 145.569 3.468 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 112 147.806 1.465 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 112 147.121 1.787 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 112 147.162 0.124 6.345 1.00 0.00 H new ATOM 1525 N VAL A 113 143.078 0.332 3.443 1.00 0.00 N ATOM 1526 CA VAL A 113 142.983 -0.641 2.360 1.00 0.00 C ATOM 1527 C VAL A 113 143.727 -0.172 1.116 1.00 0.00 C ATOM 1528 O VAL A 113 144.109 0.993 1.001 1.00 0.00 O ATOM 1529 CB VAL A 113 141.512 -0.889 2.014 1.00 0.00 C ATOM 1530 CG1 VAL A 113 141.373 -2.212 1.254 1.00 0.00 C ATOM 1531 CG2 VAL A 113 140.694 -0.959 3.305 1.00 0.00 C ATOM 0 H VAL A 113 143.103 1.308 3.147 1.00 0.00 H new ATOM 0 HA VAL A 113 143.447 -1.566 2.702 1.00 0.00 H new ATOM 0 HB VAL A 113 141.147 -0.074 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 113 140.324 -2.383 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 113 141.956 -2.166 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 113 141.739 -3.029 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 113 139.646 -1.135 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 113 141.065 -1.774 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 113 140.788 -0.018 3.847 1.00 0.00 H new ATOM 1535 N GLY A 114 143.912 -1.097 0.182 1.00 0.00 N ATOM 1536 CA GLY A 114 144.593 -0.798 -1.069 1.00 0.00 C ATOM 1537 C GLY A 114 143.933 -1.554 -2.218 1.00 0.00 C ATOM 1538 O GLY A 114 143.090 -2.421 -1.992 1.00 0.00 O ATOM 0 H GLY A 114 143.598 -2.064 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 114 144.561 0.274 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 114 145.644 -1.077 -0.996 1.00 0.00 H new ATOM 1542 N THR A 115 144.328 -1.237 -3.447 1.00 0.00 N ATOM 1543 CA THR A 115 143.769 -1.914 -4.610 1.00 0.00 C ATOM 1544 C THR A 115 144.881 -2.553 -5.428 1.00 0.00 C ATOM 1545 O THR A 115 146.061 -2.446 -5.093 1.00 0.00 O ATOM 1546 CB THR A 115 142.956 -0.953 -5.487 1.00 0.00 C ATOM 1547 OG1 THR A 115 143.825 -0.235 -6.348 1.00 0.00 O ATOM 1548 CG2 THR A 115 142.180 0.023 -4.603 1.00 0.00 C ATOM 0 H THR A 115 145.025 -0.524 -3.662 1.00 0.00 H new ATOM 0 HA THR A 115 143.093 -2.690 -4.250 1.00 0.00 H new ATOM 0 HB THR A 115 142.252 -1.528 -6.089 1.00 0.00 H new ATOM 0 HG1 THR A 115 143.557 -0.381 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 115 141.604 0.703 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 115 141.503 -0.533 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 115 142.879 0.596 -3.993 1.00 0.00 H new ATOM 1553 N GLN A 116 144.487 -3.240 -6.485 1.00 0.00 N ATOM 1554 CA GLN A 116 145.433 -3.933 -7.346 1.00 0.00 C ATOM 1555 C GLN A 116 146.266 -4.948 -6.558 1.00 0.00 C ATOM 1556 O GLN A 116 147.237 -5.485 -7.089 1.00 0.00 O ATOM 1557 CB GLN A 116 146.361 -2.931 -8.031 1.00 0.00 C ATOM 1558 CG GLN A 116 145.545 -2.050 -8.974 1.00 0.00 C ATOM 1559 CD GLN A 116 146.472 -1.167 -9.799 1.00 0.00 C ATOM 1560 OE1 GLN A 116 147.671 -1.102 -9.530 1.00 0.00 O ATOM 1561 NE2 GLN A 116 145.987 -0.487 -10.800 1.00 0.00 N ATOM 0 H GLN A 116 143.512 -3.334 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 116 144.859 -4.471 -8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 116 146.865 -2.316 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 116 147.137 -3.458 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 116 144.941 -2.672 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 116 144.856 -1.431 -8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 116 144.993 -0.543 -11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 116 146.602 0.101 -11.363 1.00 0.00 H new ATOM 1568 N ILE A 117 145.868 -5.222 -5.304 1.00 0.00 N ATOM 1569 CA ILE A 117 146.575 -6.187 -4.465 1.00 0.00 C ATOM 1570 C ILE A 117 148.082 -6.142 -4.721 1.00 0.00 C ATOM 1571 O ILE A 117 148.804 -7.083 -4.408 1.00 0.00 O ATOM 1572 CB ILE A 117 146.015 -7.592 -4.751 1.00 0.00 C ATOM 1573 CG1 ILE A 117 146.356 -8.557 -3.604 1.00 0.00 C ATOM 1574 CG2 ILE A 117 146.551 -8.125 -6.082 1.00 0.00 C ATOM 1575 CD1 ILE A 117 147.310 -9.666 -4.070 1.00 0.00 C ATOM 0 H ILE A 117 145.062 -4.787 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 117 146.419 -5.935 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 117 144.930 -7.519 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 117 146.813 -8.003 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 117 145.440 -9.002 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 117 146.144 -9.119 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 117 146.253 -7.455 -6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 117 147.639 -8.181 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 117 147.531 -10.331 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 117 146.842 -10.235 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 117 148.236 -9.220 -4.434 1.00 0.00 H new ATOM 1579 N ASP A 118 148.536 -5.047 -5.307 1.00 0.00 N ATOM 1580 CA ASP A 118 149.948 -4.872 -5.633 1.00 0.00 C ATOM 1581 C ASP A 118 150.505 -6.074 -6.395 1.00 0.00 C ATOM 1582 O ASP A 118 151.721 -6.218 -6.516 1.00 0.00 O ATOM 1583 CB ASP A 118 150.772 -4.648 -4.362 1.00 0.00 C ATOM 1584 CG ASP A 118 150.908 -5.950 -3.582 1.00 0.00 C ATOM 1585 OD1 ASP A 118 151.794 -6.722 -3.907 1.00 0.00 O ATOM 1586 OD2 ASP A 118 150.123 -6.156 -2.671 1.00 0.00 O ATOM 0 H ASP A 118 147.945 -4.258 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 118 150.023 -3.994 -6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 118 151.760 -4.268 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 118 150.294 -3.892 -3.739 1.00 0.00 H new ATOM 1591 N LEU A 119 149.628 -6.945 -6.899 1.00 0.00 N ATOM 1592 CA LEU A 119 150.107 -8.122 -7.625 1.00 0.00 C ATOM 1593 C LEU A 119 149.200 -8.505 -8.802 1.00 0.00 C ATOM 1594 O LEU A 119 149.685 -8.973 -9.831 1.00 0.00 O ATOM 1595 CB LEU A 119 150.213 -9.309 -6.665 1.00 0.00 C ATOM 1596 CG LEU A 119 151.099 -10.392 -7.284 1.00 0.00 C ATOM 1597 CD1 LEU A 119 152.553 -9.914 -7.326 1.00 0.00 C ATOM 1598 CD2 LEU A 119 151.009 -11.667 -6.441 1.00 0.00 C ATOM 0 H LEU A 119 148.614 -6.863 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 119 151.084 -7.868 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 119 150.631 -8.983 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 119 149.221 -9.711 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 119 150.758 -10.597 -8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 119 153.178 -10.690 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 119 152.621 -9.007 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 119 152.896 -9.704 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 119 151.640 -12.439 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 119 151.347 -11.457 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 119 149.976 -12.014 -6.415 1.00 0.00 H new ATOM 1604 N ARG A 120 147.888 -8.336 -8.645 1.00 0.00 N ATOM 1605 CA ARG A 120 146.947 -8.707 -9.708 1.00 0.00 C ATOM 1606 C ARG A 120 147.159 -7.881 -10.969 1.00 0.00 C ATOM 1607 O ARG A 120 147.320 -8.432 -12.058 1.00 0.00 O ATOM 1608 CB ARG A 120 145.501 -8.518 -9.231 1.00 0.00 C ATOM 1609 CG ARG A 120 144.528 -9.055 -10.289 1.00 0.00 C ATOM 1610 CD ARG A 120 144.646 -10.579 -10.379 1.00 0.00 C ATOM 1611 NE ARG A 120 145.328 -10.959 -11.610 1.00 0.00 N ATOM 1612 CZ ARG A 120 145.816 -12.183 -11.775 1.00 0.00 C ATOM 1613 NH1 ARG A 120 145.683 -13.071 -10.828 1.00 0.00 N ATOM 1614 NH2 ARG A 120 146.427 -12.500 -12.884 1.00 0.00 N ATOM 0 H ARG A 120 147.454 -7.951 -7.806 1.00 0.00 H new ATOM 0 HA ARG A 120 147.132 -9.755 -9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 120 145.349 -9.040 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 120 145.305 -7.462 -9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 120 143.506 -8.775 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 120 144.747 -8.607 -11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 120 145.195 -10.960 -9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 120 143.654 -11.030 -10.350 1.00 0.00 H new ATOM 0 HE ARG A 120 145.432 -10.273 -12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 120 145.204 -12.825 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 120 146.058 -14.011 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 120 146.530 -11.807 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 120 146.801 -13.441 -13.009 1.00 0.00 H new ATOM 1866 N ILE A 137 154.986 -1.204 -1.879 1.00 0.00 N ATOM 1867 CA ILE A 137 155.319 -0.486 -0.646 1.00 0.00 C ATOM 1868 C ILE A 137 154.139 -0.485 0.325 1.00 0.00 C ATOM 1869 O ILE A 137 153.751 0.560 0.845 1.00 0.00 O ATOM 1870 CB ILE A 137 155.715 0.955 -0.976 1.00 0.00 C ATOM 1871 CG1 ILE A 137 156.338 1.618 0.257 1.00 0.00 C ATOM 1872 CG2 ILE A 137 154.470 1.737 -1.402 1.00 0.00 C ATOM 1873 CD1 ILE A 137 157.166 2.828 -0.179 1.00 0.00 C ATOM 0 HA ILE A 137 156.156 -0.997 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 137 156.443 0.953 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 137 155.556 1.929 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 137 156.968 0.904 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 137 154.748 2.764 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 137 154.030 1.269 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 137 153.744 1.736 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 137 157.610 3.300 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 137 157.957 2.503 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 137 156.523 3.544 -0.690 1.00 0.00 H new ATOM 1877 N THR A 138 153.558 -1.657 0.543 1.00 0.00 N ATOM 1878 CA THR A 138 152.407 -1.767 1.434 1.00 0.00 C ATOM 1879 C THR A 138 152.560 -2.851 2.508 1.00 0.00 C ATOM 1880 O THR A 138 151.981 -2.730 3.588 1.00 0.00 O ATOM 1881 CB THR A 138 151.171 -2.086 0.608 1.00 0.00 C ATOM 1882 OG1 THR A 138 151.148 -1.255 -0.541 1.00 0.00 O ATOM 1883 CG2 THR A 138 149.912 -1.851 1.445 1.00 0.00 C ATOM 0 H THR A 138 153.859 -2.536 0.122 1.00 0.00 H new ATOM 0 HA THR A 138 152.321 -0.810 1.949 1.00 0.00 H new ATOM 0 HB THR A 138 151.200 -3.131 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 138 151.219 -0.317 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 138 149.030 -2.081 0.848 1.00 0.00 H new ATOM 0 HG22 THR A 138 149.934 -2.496 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 138 149.874 -0.808 1.761 1.00 0.00 H new ATOM 1888 N PRO A 139 153.275 -3.917 2.246 1.00 0.00 N ATOM 1889 CA PRO A 139 153.417 -5.027 3.232 1.00 0.00 C ATOM 1890 C PRO A 139 153.682 -4.528 4.647 1.00 0.00 C ATOM 1891 O PRO A 139 152.915 -4.814 5.567 1.00 0.00 O ATOM 1892 CB PRO A 139 154.596 -5.831 2.690 1.00 0.00 C ATOM 1893 CG PRO A 139 154.544 -5.621 1.215 1.00 0.00 C ATOM 1894 CD PRO A 139 154.036 -4.192 1.013 1.00 0.00 C ATOM 0 HA PRO A 139 152.503 -5.613 3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 139 155.540 -5.482 3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 139 154.507 -6.887 2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 139 155.529 -5.753 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 139 153.879 -6.343 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 139 154.859 -3.489 0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 139 153.406 -4.112 0.127 1.00 0.00 H new ATOM 1902 N GLU A 140 154.774 -3.799 4.822 1.00 0.00 N ATOM 1903 CA GLU A 140 155.128 -3.291 6.145 1.00 0.00 C ATOM 1904 C GLU A 140 155.246 -1.771 6.153 1.00 0.00 C ATOM 1905 O GLU A 140 154.914 -1.121 7.144 1.00 0.00 O ATOM 1906 CB GLU A 140 156.450 -3.909 6.599 1.00 0.00 C ATOM 1907 CG GLU A 140 156.282 -5.424 6.723 1.00 0.00 C ATOM 1908 CD GLU A 140 157.572 -6.050 7.240 1.00 0.00 C ATOM 1909 OE1 GLU A 140 158.565 -5.345 7.308 1.00 0.00 O ATOM 1910 OE2 GLU A 140 157.548 -7.228 7.560 1.00 0.00 O ATOM 0 H GLU A 140 155.424 -3.547 4.078 1.00 0.00 H new ATOM 0 HA GLU A 140 154.330 -3.570 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 140 157.239 -3.676 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 140 156.753 -3.485 7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 140 155.460 -5.653 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 140 156.024 -5.850 5.754 1.00 0.00 H new ATOM 1917 N THR A 141 155.731 -1.207 5.055 1.00 0.00 N ATOM 1918 CA THR A 141 155.898 0.239 4.966 1.00 0.00 C ATOM 1919 C THR A 141 154.593 0.963 5.289 1.00 0.00 C ATOM 1920 O THR A 141 154.598 1.991 5.966 1.00 0.00 O ATOM 1921 CB THR A 141 156.364 0.627 3.561 1.00 0.00 C ATOM 1922 OG1 THR A 141 157.546 -0.090 3.237 1.00 0.00 O ATOM 1923 CG2 THR A 141 156.646 2.131 3.512 1.00 0.00 C ATOM 0 H THR A 141 156.013 -1.722 4.221 1.00 0.00 H new ATOM 0 HA THR A 141 156.650 0.538 5.696 1.00 0.00 H new ATOM 0 HB THR A 141 155.584 0.382 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 141 158.095 0.444 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 141 156.978 2.407 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 141 155.737 2.680 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 141 157.425 2.379 4.233 1.00 0.00 H new ATOM 1928 N ALA A 142 153.480 0.427 4.804 1.00 0.00 N ATOM 1929 CA ALA A 142 152.178 1.039 5.053 1.00 0.00 C ATOM 1930 C ALA A 142 151.653 0.679 6.442 1.00 0.00 C ATOM 1931 O ALA A 142 151.016 1.498 7.104 1.00 0.00 O ATOM 1932 CB ALA A 142 151.173 0.577 3.999 1.00 0.00 C ATOM 0 H ALA A 142 153.450 -0.423 4.241 1.00 0.00 H new ATOM 0 HA ALA A 142 152.302 2.121 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 142 150.205 1.038 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 142 151.523 0.870 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 142 151.073 -0.508 4.042 1.00 0.00 H new ATOM 1938 N GLU A 143 151.903 -0.555 6.864 1.00 0.00 N ATOM 1939 CA GLU A 143 151.430 -1.020 8.165 1.00 0.00 C ATOM 1940 C GLU A 143 151.964 -0.146 9.297 1.00 0.00 C ATOM 1941 O GLU A 143 151.235 0.178 10.235 1.00 0.00 O ATOM 1942 CB GLU A 143 151.869 -2.468 8.390 1.00 0.00 C ATOM 1943 CG GLU A 143 151.243 -3.000 9.680 1.00 0.00 C ATOM 1944 CD GLU A 143 151.748 -4.410 9.963 1.00 0.00 C ATOM 1945 OE1 GLU A 143 152.566 -4.890 9.197 1.00 0.00 O ATOM 1946 OE2 GLU A 143 151.310 -4.989 10.944 1.00 0.00 O ATOM 0 H GLU A 143 152.427 -1.248 6.330 1.00 0.00 H new ATOM 0 HA GLU A 143 150.342 -0.957 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 143 151.566 -3.086 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 143 152.956 -2.524 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 143 151.492 -2.342 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 143 150.157 -3.005 9.591 1.00 0.00 H new ATOM 1953 N LYS A 144 153.234 0.234 9.209 1.00 0.00 N ATOM 1954 CA LYS A 144 153.833 1.069 10.243 1.00 0.00 C ATOM 1955 C LYS A 144 153.136 2.424 10.306 1.00 0.00 C ATOM 1956 O LYS A 144 152.859 2.946 11.386 1.00 0.00 O ATOM 1957 CB LYS A 144 155.323 1.271 9.956 1.00 0.00 C ATOM 1958 CG LYS A 144 156.048 -0.074 10.051 1.00 0.00 C ATOM 1959 CD LYS A 144 157.553 0.143 9.871 1.00 0.00 C ATOM 1960 CE LYS A 144 158.264 -1.210 9.839 1.00 0.00 C ATOM 1961 NZ LYS A 144 159.691 -1.011 9.456 1.00 0.00 N ATOM 0 H LYS A 144 153.860 -0.018 8.445 1.00 0.00 H new ATOM 0 HA LYS A 144 153.715 0.567 11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 144 155.458 1.700 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 144 155.749 1.977 10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 144 155.850 -0.539 11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 144 155.674 -0.755 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 144 157.744 0.688 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 144 157.943 0.752 10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 144 158.202 -1.689 10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 144 157.774 -1.874 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 160.176 -1.931 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 159.740 -0.571 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 160.154 -0.392 10.152 1.00 0.00 H new ATOM 1975 N LEU A 145 152.856 2.985 9.135 1.00 0.00 N ATOM 1976 CA LEU A 145 152.193 4.281 9.054 1.00 0.00 C ATOM 1977 C LEU A 145 150.783 4.220 9.633 1.00 0.00 C ATOM 1978 O LEU A 145 150.307 5.188 10.220 1.00 0.00 O ATOM 1979 CB LEU A 145 152.116 4.735 7.594 1.00 0.00 C ATOM 1980 CG LEU A 145 153.524 4.861 7.015 1.00 0.00 C ATOM 1981 CD1 LEU A 145 153.433 5.290 5.549 1.00 0.00 C ATOM 1982 CD2 LEU A 145 154.309 5.913 7.802 1.00 0.00 C ATOM 0 H LEU A 145 153.077 2.565 8.232 1.00 0.00 H new ATOM 0 HA LEU A 145 152.778 4.992 9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 145 151.536 4.019 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 145 151.599 5.692 7.528 1.00 0.00 H new ATOM 0 HG LEU A 145 154.033 3.899 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 145 154.437 5.381 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 145 152.873 4.544 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 145 152.924 6.252 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 145 155.313 6.002 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 145 153.801 6.875 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 145 154.373 5.612 8.848 1.00 0.00 H new ATOM 1988 N ALA A 146 150.115 3.085 9.465 1.00 0.00 N ATOM 1989 CA ALA A 146 148.756 2.933 9.975 1.00 0.00 C ATOM 1990 C ALA A 146 148.743 2.780 11.493 1.00 0.00 C ATOM 1991 O ALA A 146 147.778 3.163 12.156 1.00 0.00 O ATOM 1992 CB ALA A 146 148.098 1.709 9.335 1.00 0.00 C ATOM 0 H ALA A 146 150.486 2.265 8.986 1.00 0.00 H new ATOM 0 HA ALA A 146 148.199 3.834 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 146 147.084 1.599 9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 146 148.065 1.838 8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 146 148.676 0.817 9.577 1.00 0.00 H new ATOM 1998 N ARG A 147 149.803 2.195 12.033 1.00 0.00 N ATOM 1999 CA ARG A 147 149.893 1.964 13.470 1.00 0.00 C ATOM 2000 C ARG A 147 149.689 3.242 14.281 1.00 0.00 C ATOM 2001 O ARG A 147 149.081 3.201 15.351 1.00 0.00 O ATOM 2002 CB ARG A 147 151.256 1.357 13.813 1.00 0.00 C ATOM 2003 CG ARG A 147 151.309 1.029 15.308 1.00 0.00 C ATOM 2004 CD ARG A 147 152.673 0.432 15.652 1.00 0.00 C ATOM 2005 NE ARG A 147 152.724 0.073 17.065 1.00 0.00 N ATOM 2006 CZ ARG A 147 152.093 -1.003 17.525 1.00 0.00 C ATOM 2007 NH1 ARG A 147 151.418 -1.765 16.709 1.00 0.00 N ATOM 2008 NH2 ARG A 147 152.151 -1.299 18.796 1.00 0.00 N ATOM 0 H ARG A 147 150.611 1.872 11.501 1.00 0.00 H new ATOM 0 HA ARG A 147 149.092 1.274 13.736 1.00 0.00 H new ATOM 0 HB2 ARG A 147 151.422 0.454 13.226 1.00 0.00 H new ATOM 0 HB3 ARG A 147 152.052 2.055 13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 147 151.137 1.931 15.895 1.00 0.00 H new ATOM 0 HG3 ARG A 147 150.517 0.325 15.565 1.00 0.00 H new ATOM 0 HD2 ARG A 147 152.857 -0.450 15.038 1.00 0.00 H new ATOM 0 HD3 ARG A 147 153.461 1.150 15.423 1.00 0.00 H new ATOM 0 HE ARG A 147 153.253 0.658 17.712 1.00 0.00 H new ATOM 0 HH11 ARG A 147 151.374 -1.536 15.716 1.00 0.00 H new ATOM 0 HH12 ARG A 147 150.935 -2.590 17.064 1.00 0.00 H new ATOM 0 HH21 ARG A 147 152.680 -0.705 19.434 1.00 0.00 H new ATOM 0 HH22 ARG A 147 151.667 -2.124 19.150 1.00 0.00 H new ATOM 2022 N ASP A 148 150.213 4.370 13.799 1.00 0.00 N ATOM 2023 CA ASP A 148 150.078 5.623 14.545 1.00 0.00 C ATOM 2024 C ASP A 148 149.408 6.731 13.733 1.00 0.00 C ATOM 2025 O ASP A 148 148.810 7.641 14.307 1.00 0.00 O ATOM 2026 CB ASP A 148 151.458 6.095 15.009 1.00 0.00 C ATOM 2027 CG ASP A 148 152.350 6.386 13.806 1.00 0.00 C ATOM 2028 OD1 ASP A 148 151.831 6.427 12.703 1.00 0.00 O ATOM 2029 OD2 ASP A 148 153.541 6.559 14.006 1.00 0.00 O ATOM 0 H ASP A 148 150.722 4.444 12.918 1.00 0.00 H new ATOM 0 HA ASP A 148 149.434 5.417 15.400 1.00 0.00 H new ATOM 0 HB2 ASP A 148 151.357 6.992 15.621 1.00 0.00 H new ATOM 0 HB3 ASP A 148 151.919 5.332 15.636 1.00 0.00 H new ATOM 2034 N LEU A 149 149.517 6.681 12.409 1.00 0.00 N ATOM 2035 CA LEU A 149 148.919 7.723 11.578 1.00 0.00 C ATOM 2036 C LEU A 149 147.401 7.566 11.497 1.00 0.00 C ATOM 2037 O LEU A 149 146.748 8.335 10.803 1.00 0.00 O ATOM 2038 CB LEU A 149 149.517 7.687 10.167 1.00 0.00 C ATOM 2039 CG LEU A 149 149.355 9.055 9.498 1.00 0.00 C ATOM 2040 CD1 LEU A 149 150.485 9.985 9.946 1.00 0.00 C ATOM 2041 CD2 LEU A 149 149.409 8.886 7.977 1.00 0.00 C ATOM 0 H LEU A 149 150.003 5.946 11.895 1.00 0.00 H new ATOM 0 HA LEU A 149 149.141 8.684 12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 149 150.572 7.419 10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 149 149.021 6.920 9.572 1.00 0.00 H new ATOM 0 HG LEU A 149 148.396 9.487 9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 149 150.367 10.958 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 149 150.449 10.106 11.029 1.00 0.00 H new ATOM 0 HD13 LEU A 149 151.445 9.555 9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 149 149.294 9.859 7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 149 150.368 8.453 7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 149 148.603 8.226 7.655 1.00 0.00 H new ATOM 2047 N LYS A 150 146.863 6.566 12.213 1.00 0.00 N ATOM 2048 CA LYS A 150 145.418 6.272 12.248 1.00 0.00 C ATOM 2049 C LYS A 150 145.092 5.105 11.327 1.00 0.00 C ATOM 2050 O LYS A 150 145.734 4.921 10.293 1.00 0.00 O ATOM 2051 CB LYS A 150 144.541 7.477 11.860 1.00 0.00 C ATOM 2052 CG LYS A 150 144.766 8.635 12.841 1.00 0.00 C ATOM 2053 CD LYS A 150 143.801 9.775 12.512 1.00 0.00 C ATOM 2054 CE LYS A 150 144.094 10.973 13.419 1.00 0.00 C ATOM 2055 NZ LYS A 150 142.813 11.635 13.798 1.00 0.00 N ATOM 0 H LYS A 150 147.420 5.934 12.788 1.00 0.00 H new ATOM 0 HA LYS A 150 145.188 6.019 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 150 144.780 7.798 10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 150 143.490 7.187 11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 150 144.609 8.295 13.865 1.00 0.00 H new ATOM 0 HG3 LYS A 150 145.796 8.986 12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 150 143.906 10.063 11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 150 142.771 9.445 12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 150 144.624 10.645 14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 150 144.744 11.681 12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 143.012 12.449 14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 142.324 11.961 12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 142.208 10.957 14.304 1.00 0.00 H new ATOM 2069 N ALA A 151 144.081 4.326 11.710 1.00 0.00 N ATOM 2070 CA ALA A 151 143.660 3.175 10.913 1.00 0.00 C ATOM 2071 C ALA A 151 142.958 2.129 11.784 1.00 0.00 C ATOM 2072 O ALA A 151 142.689 2.357 12.963 1.00 0.00 O ATOM 2073 CB ALA A 151 144.875 2.534 10.236 1.00 0.00 C ATOM 0 H ALA A 151 143.541 4.470 12.563 1.00 0.00 H new ATOM 0 HA ALA A 151 142.959 3.529 10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 151 144.552 1.677 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 151 145.356 3.264 9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 151 145.583 2.204 10.996 1.00 0.00 H new ATOM 2079 N VAL A 152 142.666 0.991 11.173 1.00 0.00 N ATOM 2080 CA VAL A 152 142.009 -0.125 11.856 1.00 0.00 C ATOM 2081 C VAL A 152 142.451 -1.438 11.216 1.00 0.00 C ATOM 2082 O VAL A 152 142.996 -2.316 11.884 1.00 0.00 O ATOM 2083 CB VAL A 152 140.483 -0.010 11.771 1.00 0.00 C ATOM 2084 CG1 VAL A 152 139.854 -1.328 12.226 1.00 0.00 C ATOM 2085 CG2 VAL A 152 140.001 1.118 12.683 1.00 0.00 C ATOM 0 H VAL A 152 142.875 0.810 10.191 1.00 0.00 H new ATOM 0 HA VAL A 152 142.296 -0.099 12.907 1.00 0.00 H new ATOM 0 HB VAL A 152 140.192 0.205 10.743 1.00 0.00 H new ATOM 0 HG11 VAL A 152 138.768 -1.252 12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 152 140.197 -2.137 11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 152 140.148 -1.536 13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 152 138.916 1.198 12.621 1.00 0.00 H new ATOM 0 HG22 VAL A 152 140.291 0.903 13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 152 140.453 2.059 12.368 1.00 0.00 H new ATOM 2089 N LYS A 153 142.226 -1.549 9.909 1.00 0.00 N ATOM 2090 CA LYS A 153 142.621 -2.748 9.166 1.00 0.00 C ATOM 2091 C LYS A 153 143.947 -2.497 8.454 1.00 0.00 C ATOM 2092 O LYS A 153 144.536 -1.428 8.612 1.00 0.00 O ATOM 2093 CB LYS A 153 141.543 -3.124 8.146 1.00 0.00 C ATOM 2094 CG LYS A 153 140.699 -4.280 8.688 1.00 0.00 C ATOM 2095 CD LYS A 153 141.434 -5.605 8.457 1.00 0.00 C ATOM 2096 CE LYS A 153 140.543 -6.775 8.881 1.00 0.00 C ATOM 2097 NZ LYS A 153 140.890 -7.182 10.273 1.00 0.00 N ATOM 0 H LYS A 153 141.775 -0.830 9.343 1.00 0.00 H new ATOM 0 HA LYS A 153 142.738 -3.574 9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 153 140.908 -2.263 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 153 142.006 -3.411 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 153 140.510 -4.138 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 153 139.729 -4.299 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 153 141.703 -5.703 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 153 142.364 -5.619 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 153 139.493 -6.486 8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 153 140.679 -7.615 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 140.677 -8.192 10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 141.903 -7.017 10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 140.332 -6.621 10.948 1.00 0.00 H new ATOM 2111 N TYR A 154 144.425 -3.462 7.664 1.00 0.00 N ATOM 2112 CA TYR A 154 145.677 -3.264 6.961 1.00 0.00 C ATOM 2113 C TYR A 154 145.892 -4.382 5.964 1.00 0.00 C ATOM 2114 O TYR A 154 146.359 -5.466 6.310 1.00 0.00 O ATOM 2115 CB TYR A 154 146.839 -3.200 7.960 1.00 0.00 C ATOM 2116 CG TYR A 154 147.064 -4.557 8.586 1.00 0.00 C ATOM 2117 CD1 TYR A 154 146.233 -4.995 9.625 1.00 0.00 C ATOM 2118 CD2 TYR A 154 148.108 -5.373 8.135 1.00 0.00 C ATOM 2119 CE1 TYR A 154 146.446 -6.248 10.210 1.00 0.00 C ATOM 2120 CE2 TYR A 154 148.320 -6.626 8.719 1.00 0.00 C ATOM 2121 CZ TYR A 154 147.489 -7.064 9.757 1.00 0.00 C ATOM 2122 OH TYR A 154 147.698 -8.301 10.334 1.00 0.00 O ATOM 0 H TYR A 154 143.973 -4.362 7.503 1.00 0.00 H new ATOM 0 HA TYR A 154 145.636 -2.319 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 154 147.746 -2.870 7.453 1.00 0.00 H new ATOM 0 HB3 TYR A 154 146.622 -2.465 8.735 1.00 0.00 H new ATOM 0 HD1 TYR A 154 145.428 -4.366 9.975 1.00 0.00 H new ATOM 0 HD2 TYR A 154 148.750 -5.035 7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 154 145.805 -6.586 11.011 1.00 0.00 H new ATOM 0 HE2 TYR A 154 149.125 -7.256 8.369 1.00 0.00 H new ATOM 0 HH TYR A 154 148.461 -8.739 9.902 1.00 0.00 H new ATOM 2132 N VAL A 155 145.537 -4.110 4.724 1.00 0.00 N ATOM 2133 CA VAL A 155 145.683 -5.089 3.676 1.00 0.00 C ATOM 2134 C VAL A 155 145.650 -4.412 2.319 1.00 0.00 C ATOM 2135 O VAL A 155 145.575 -3.188 2.214 1.00 0.00 O ATOM 2136 CB VAL A 155 144.566 -6.130 3.752 1.00 0.00 C ATOM 2137 CG1 VAL A 155 145.157 -7.480 4.163 1.00 0.00 C ATOM 2138 CG2 VAL A 155 143.507 -5.705 4.777 1.00 0.00 C ATOM 0 H VAL A 155 145.146 -3.218 4.422 1.00 0.00 H new ATOM 0 HA VAL A 155 146.643 -5.589 3.809 1.00 0.00 H new ATOM 0 HB VAL A 155 144.095 -6.213 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 155 144.362 -8.224 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 155 145.897 -7.793 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 155 145.634 -7.386 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 155 142.719 -6.457 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 155 143.969 -5.609 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 155 143.079 -4.747 4.482 1.00 0.00 H new ATOM 2142 N GLU A 156 145.708 -5.228 1.286 1.00 0.00 N ATOM 2143 CA GLU A 156 145.687 -4.726 -0.077 1.00 0.00 C ATOM 2144 C GLU A 156 145.002 -5.740 -0.959 1.00 0.00 C ATOM 2145 O GLU A 156 145.628 -6.682 -1.402 1.00 0.00 O ATOM 2146 CB GLU A 156 147.118 -4.533 -0.568 1.00 0.00 C ATOM 2147 CG GLU A 156 148.094 -5.155 0.438 1.00 0.00 C ATOM 2148 CD GLU A 156 149.530 -4.980 -0.041 1.00 0.00 C ATOM 2149 OE1 GLU A 156 149.712 -4.478 -1.137 1.00 0.00 O ATOM 2150 OE2 GLU A 156 150.427 -5.353 0.695 1.00 0.00 O ATOM 0 H GLU A 156 145.770 -6.243 1.362 1.00 0.00 H new ATOM 0 HA GLU A 156 145.155 -3.775 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 156 147.243 -4.997 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 156 147.332 -3.471 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 156 147.969 -4.686 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 156 147.872 -6.215 0.563 1.00 0.00 H new ATOM 2157 N CYS A 157 143.718 -5.548 -1.199 1.00 0.00 N ATOM 2158 CA CYS A 157 142.962 -6.477 -1.998 1.00 0.00 C ATOM 2159 C CYS A 157 142.595 -5.930 -3.345 1.00 0.00 C ATOM 2160 O CYS A 157 142.299 -4.751 -3.534 1.00 0.00 O ATOM 2161 CB CYS A 157 141.670 -6.872 -1.279 1.00 0.00 C ATOM 2162 SG CYS A 157 141.601 -6.052 0.333 1.00 0.00 S ATOM 0 H CYS A 157 143.182 -4.754 -0.849 1.00 0.00 H new ATOM 0 HA CYS A 157 143.610 -7.341 -2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 157 140.806 -6.589 -1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 157 141.629 -7.954 -1.151 1.00 0.00 H new ATOM 0 HG CYS A 157 141.124 -6.876 1.219 1.00 0.00 H new ATOM 2168 N SER A 158 142.559 -6.863 -4.247 1.00 0.00 N ATOM 2169 CA SER A 158 142.158 -6.635 -5.602 1.00 0.00 C ATOM 2170 C SER A 158 141.922 -7.989 -6.199 1.00 0.00 C ATOM 2171 O SER A 158 142.824 -8.640 -6.724 1.00 0.00 O ATOM 2172 CB SER A 158 143.228 -5.889 -6.372 1.00 0.00 C ATOM 2173 OG SER A 158 142.651 -5.297 -7.529 1.00 0.00 O ATOM 0 H SER A 158 142.815 -7.832 -4.055 1.00 0.00 H new ATOM 0 HA SER A 158 141.261 -6.018 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 158 143.676 -5.121 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 158 144.028 -6.572 -6.660 1.00 0.00 H new ATOM 0 HG SER A 158 142.975 -5.760 -8.330 1.00 0.00 H new ATOM 2179 N ALA A 159 140.690 -8.399 -6.075 1.00 0.00 N ATOM 2180 CA ALA A 159 140.274 -9.692 -6.561 1.00 0.00 C ATOM 2181 C ALA A 159 141.248 -10.764 -6.087 1.00 0.00 C ATOM 2182 O ALA A 159 141.464 -11.771 -6.761 1.00 0.00 O ATOM 2183 CB ALA A 159 140.202 -9.662 -8.080 1.00 0.00 C ATOM 0 H ALA A 159 139.948 -7.853 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 159 139.286 -9.931 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 159 139.888 -10.638 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 159 139.483 -8.906 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 159 141.184 -9.420 -8.486 1.00 0.00 H new ATOM 2189 N LEU A 160 141.821 -10.537 -4.906 1.00 0.00 N ATOM 2190 CA LEU A 160 142.764 -11.491 -4.328 1.00 0.00 C ATOM 2191 C LEU A 160 142.796 -11.407 -2.795 1.00 0.00 C ATOM 2192 O LEU A 160 142.298 -12.319 -2.145 1.00 0.00 O ATOM 2193 CB LEU A 160 144.166 -11.285 -4.905 1.00 0.00 C ATOM 2194 CG LEU A 160 144.466 -12.413 -5.903 1.00 0.00 C ATOM 2195 CD1 LEU A 160 145.638 -12.022 -6.805 1.00 0.00 C ATOM 2196 CD2 LEU A 160 144.820 -13.687 -5.134 1.00 0.00 C ATOM 0 H LEU A 160 141.651 -9.709 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 160 142.418 -12.490 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 160 144.231 -10.316 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 160 144.906 -11.283 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 160 143.585 -12.586 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 160 145.841 -12.830 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 160 145.386 -11.116 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 160 146.523 -11.842 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 160 145.034 -14.490 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 160 145.698 -13.506 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 160 143.981 -13.974 -4.500 1.00 0.00 H new ATOM 2202 N THR A 161 143.452 -10.373 -2.225 1.00 0.00 N ATOM 2203 CA THR A 161 143.590 -10.271 -0.742 1.00 0.00 C ATOM 2204 C THR A 161 142.260 -10.400 -0.015 1.00 0.00 C ATOM 2205 O THR A 161 142.005 -9.703 0.967 1.00 0.00 O ATOM 2206 CB THR A 161 144.284 -8.978 -0.276 1.00 0.00 C ATOM 2207 OG1 THR A 161 145.355 -8.685 -1.152 1.00 0.00 O ATOM 2208 CG2 THR A 161 144.824 -9.143 1.157 1.00 0.00 C ATOM 0 H THR A 161 143.887 -9.612 -2.746 1.00 0.00 H new ATOM 0 HA THR A 161 144.226 -11.117 -0.480 1.00 0.00 H new ATOM 0 HB THR A 161 143.560 -8.163 -0.285 1.00 0.00 H new ATOM 0 HG1 THR A 161 145.530 -7.721 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 161 145.311 -8.220 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 161 143.999 -9.366 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 161 145.544 -9.961 1.182 1.00 0.00 H new ATOM 2213 N GLN A 162 141.465 -11.360 -0.444 1.00 0.00 N ATOM 2214 CA GLN A 162 140.223 -11.668 0.216 1.00 0.00 C ATOM 2215 C GLN A 162 140.628 -12.352 1.505 1.00 0.00 C ATOM 2216 O GLN A 162 139.810 -12.872 2.259 1.00 0.00 O ATOM 2217 CB GLN A 162 139.397 -12.621 -0.652 1.00 0.00 C ATOM 2218 CG GLN A 162 137.956 -12.672 -0.151 1.00 0.00 C ATOM 2219 CD GLN A 162 137.228 -13.850 -0.792 1.00 0.00 C ATOM 2220 OE1 GLN A 162 137.540 -15.005 -0.501 1.00 0.00 O ATOM 2221 NE2 GLN A 162 136.276 -13.628 -1.654 1.00 0.00 N ATOM 0 H GLN A 162 141.665 -11.943 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 162 139.615 -10.782 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 162 139.418 -12.290 -1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 162 139.834 -13.619 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 162 137.942 -12.771 0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 162 137.444 -11.741 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 162 136.019 -12.671 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 162 135.788 -14.412 -2.088 1.00 0.00 H new ATOM 2228 N LYS A 163 141.941 -12.306 1.734 1.00 0.00 N ATOM 2229 CA LYS A 163 142.541 -12.880 2.922 1.00 0.00 C ATOM 2230 C LYS A 163 142.377 -11.896 4.054 1.00 0.00 C ATOM 2231 O LYS A 163 142.654 -12.201 5.215 1.00 0.00 O ATOM 2232 CB LYS A 163 144.027 -13.168 2.696 1.00 0.00 C ATOM 2233 CG LYS A 163 144.191 -14.252 1.628 1.00 0.00 C ATOM 2234 CD LYS A 163 145.671 -14.619 1.502 1.00 0.00 C ATOM 2235 CE LYS A 163 145.851 -15.643 0.380 1.00 0.00 C ATOM 2236 NZ LYS A 163 146.551 -16.846 0.915 1.00 0.00 N ATOM 0 H LYS A 163 142.610 -11.870 1.099 1.00 0.00 H new ATOM 0 HA LYS A 163 142.049 -13.823 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 163 144.539 -12.258 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 163 144.490 -13.491 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 163 143.608 -15.133 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 163 143.810 -13.896 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 163 146.261 -13.727 1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 163 146.036 -15.028 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 163 144.881 -15.925 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 163 146.427 -15.207 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 146.674 -17.543 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 147.483 -16.569 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 145.985 -17.265 1.680 1.00 0.00 H new ATOM 2250 N GLY A 164 141.869 -10.723 3.705 1.00 0.00 N ATOM 2251 CA GLY A 164 141.592 -9.684 4.676 1.00 0.00 C ATOM 2252 C GLY A 164 140.160 -9.279 4.476 1.00 0.00 C ATOM 2253 O GLY A 164 139.326 -9.513 5.349 1.00 0.00 O ATOM 0 H GLY A 164 141.639 -10.469 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 164 141.753 -10.049 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 164 142.259 -8.833 4.534 1.00 0.00 H new ATOM 2257 N LEU A 165 139.862 -8.650 3.334 1.00 0.00 N ATOM 2258 CA LEU A 165 138.495 -8.225 3.072 1.00 0.00 C ATOM 2259 C LEU A 165 137.461 -9.275 3.488 1.00 0.00 C ATOM 2260 O LEU A 165 136.268 -8.985 3.507 1.00 0.00 O ATOM 2261 CB LEU A 165 138.313 -7.865 1.610 1.00 0.00 C ATOM 2262 CG LEU A 165 138.397 -6.339 1.484 1.00 0.00 C ATOM 2263 CD1 LEU A 165 138.580 -5.937 0.026 1.00 0.00 C ATOM 2264 CD2 LEU A 165 137.108 -5.714 2.022 1.00 0.00 C ATOM 0 H LEU A 165 140.533 -8.431 2.598 1.00 0.00 H new ATOM 0 HA LEU A 165 138.323 -7.340 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 165 139.082 -8.341 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 165 137.351 -8.225 1.246 1.00 0.00 H new ATOM 0 HG LEU A 165 139.252 -5.984 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 165 138.638 -4.851 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 165 139.500 -6.376 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 165 137.733 -6.296 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 165 137.165 -4.629 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 165 136.258 -6.081 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 165 136.981 -5.986 3.070 1.00 0.00 H new ATOM 2270 N LYS A 166 137.913 -10.465 3.880 1.00 0.00 N ATOM 2271 CA LYS A 166 136.995 -11.497 4.358 1.00 0.00 C ATOM 2272 C LYS A 166 136.708 -11.242 5.828 1.00 0.00 C ATOM 2273 O LYS A 166 135.561 -11.276 6.273 1.00 0.00 O ATOM 2274 CB LYS A 166 137.612 -12.891 4.190 1.00 0.00 C ATOM 2275 CG LYS A 166 136.703 -13.950 4.826 1.00 0.00 C ATOM 2276 CD LYS A 166 137.319 -15.335 4.621 1.00 0.00 C ATOM 2277 CE LYS A 166 136.344 -16.408 5.108 1.00 0.00 C ATOM 2278 NZ LYS A 166 137.112 -17.591 5.589 1.00 0.00 N ATOM 0 H LYS A 166 138.896 -10.736 3.877 1.00 0.00 H new ATOM 0 HA LYS A 166 136.074 -11.459 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 166 137.753 -13.110 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 166 138.597 -12.920 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 166 136.580 -13.748 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 166 135.711 -13.911 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 166 137.548 -15.489 3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 166 138.260 -15.410 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 166 135.722 -16.013 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 166 135.673 -16.700 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 136.451 -18.322 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 137.687 -17.971 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 137.734 -17.306 6.372 1.00 0.00 H new ATOM 2292 N ASN A 167 137.776 -10.966 6.570 1.00 0.00 N ATOM 2293 CA ASN A 167 137.661 -10.681 7.989 1.00 0.00 C ATOM 2294 C ASN A 167 137.249 -9.230 8.178 1.00 0.00 C ATOM 2295 O ASN A 167 137.146 -8.740 9.301 1.00 0.00 O ATOM 2296 CB ASN A 167 138.997 -10.935 8.690 1.00 0.00 C ATOM 2297 CG ASN A 167 139.441 -12.376 8.458 1.00 0.00 C ATOM 2298 OD1 ASN A 167 140.593 -12.622 8.100 1.00 0.00 O ATOM 2299 ND2 ASN A 167 138.590 -13.348 8.644 1.00 0.00 N ATOM 0 H ASN A 167 138.729 -10.935 6.209 1.00 0.00 H new ATOM 0 HA ASN A 167 136.907 -11.336 8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 167 139.753 -10.247 8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 167 138.899 -10.743 9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 167 138.879 -14.315 8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 167 137.636 -13.141 8.941 1.00 0.00 H new ATOM 2304 N VAL A 168 136.985 -8.559 7.060 1.00 0.00 N ATOM 2305 CA VAL A 168 136.547 -7.166 7.102 1.00 0.00 C ATOM 2306 C VAL A 168 135.034 -7.080 7.260 1.00 0.00 C ATOM 2307 O VAL A 168 134.542 -6.553 8.255 1.00 0.00 O ATOM 2308 CB VAL A 168 136.964 -6.442 5.834 1.00 0.00 C ATOM 2309 CG1 VAL A 168 136.308 -5.061 5.791 1.00 0.00 C ATOM 2310 CG2 VAL A 168 138.489 -6.287 5.848 1.00 0.00 C ATOM 0 H VAL A 168 137.065 -8.952 6.122 1.00 0.00 H new ATOM 0 HA VAL A 168 137.020 -6.691 7.961 1.00 0.00 H new ATOM 0 HB VAL A 168 136.651 -7.009 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 168 136.609 -4.543 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 168 135.224 -5.173 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 168 136.623 -4.481 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 168 138.810 -5.769 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 168 138.788 -5.710 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 168 138.954 -7.272 5.886 1.00 0.00 H new ATOM 2314 N PHE A 169 134.289 -7.604 6.283 1.00 0.00 N ATOM 2315 CA PHE A 169 132.832 -7.559 6.382 1.00 0.00 C ATOM 2316 C PHE A 169 132.412 -7.969 7.788 1.00 0.00 C ATOM 2317 O PHE A 169 131.515 -7.368 8.379 1.00 0.00 O ATOM 2318 CB PHE A 169 132.194 -8.493 5.351 1.00 0.00 C ATOM 2319 CG PHE A 169 132.390 -7.919 3.969 1.00 0.00 C ATOM 2320 CD1 PHE A 169 131.569 -6.879 3.522 1.00 0.00 C ATOM 2321 CD2 PHE A 169 133.397 -8.420 3.143 1.00 0.00 C ATOM 2322 CE1 PHE A 169 131.757 -6.339 2.244 1.00 0.00 C ATOM 2323 CE2 PHE A 169 133.588 -7.881 1.866 1.00 0.00 C ATOM 2324 CZ PHE A 169 132.767 -6.840 1.415 1.00 0.00 C ATOM 0 H PHE A 169 134.656 -8.050 5.442 1.00 0.00 H new ATOM 0 HA PHE A 169 132.492 -6.543 6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 169 132.644 -9.484 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 169 131.131 -8.612 5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 169 130.790 -6.492 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 169 134.029 -9.224 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 169 131.123 -5.536 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 169 134.369 -8.268 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 169 132.913 -6.424 0.429 1.00 0.00 H new ATOM 2334 N ASP A 170 133.086 -8.982 8.328 1.00 0.00 N ATOM 2335 CA ASP A 170 132.796 -9.448 9.679 1.00 0.00 C ATOM 2336 C ASP A 170 133.204 -8.388 10.702 1.00 0.00 C ATOM 2337 O ASP A 170 132.474 -8.109 11.652 1.00 0.00 O ATOM 2338 CB ASP A 170 133.550 -10.750 9.957 1.00 0.00 C ATOM 2339 CG ASP A 170 133.111 -11.330 11.296 1.00 0.00 C ATOM 2340 OD1 ASP A 170 132.199 -10.776 11.890 1.00 0.00 O ATOM 2341 OD2 ASP A 170 133.692 -12.319 11.711 1.00 0.00 O ATOM 0 H ASP A 170 133.831 -9.492 7.854 1.00 0.00 H new ATOM 0 HA ASP A 170 131.724 -9.629 9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 170 133.358 -11.468 9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 170 134.624 -10.563 9.967 1.00 0.00 H new ATOM 2346 N GLU A 171 134.374 -7.791 10.492 1.00 0.00 N ATOM 2347 CA GLU A 171 134.864 -6.756 11.395 1.00 0.00 C ATOM 2348 C GLU A 171 133.936 -5.550 11.356 1.00 0.00 C ATOM 2349 O GLU A 171 133.825 -4.803 12.328 1.00 0.00 O ATOM 2350 CB GLU A 171 136.279 -6.327 10.994 1.00 0.00 C ATOM 2351 CG GLU A 171 136.818 -5.326 12.018 1.00 0.00 C ATOM 2352 CD GLU A 171 138.172 -4.792 11.564 1.00 0.00 C ATOM 2353 OE1 GLU A 171 138.609 -5.177 10.493 1.00 0.00 O ATOM 2354 OE2 GLU A 171 138.750 -4.002 12.293 1.00 0.00 O ATOM 0 H GLU A 171 134.995 -8.004 9.711 1.00 0.00 H new ATOM 0 HA GLU A 171 134.889 -7.161 12.407 1.00 0.00 H new ATOM 0 HB2 GLU A 171 136.933 -7.197 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 171 136.266 -5.877 10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 171 136.115 -4.502 12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 171 136.915 -5.806 12.992 1.00 0.00 H new ATOM 2361 N ALA A 172 133.276 -5.370 10.219 1.00 0.00 N ATOM 2362 CA ALA A 172 132.357 -4.254 10.044 1.00 0.00 C ATOM 2363 C ALA A 172 131.192 -4.349 11.024 1.00 0.00 C ATOM 2364 O ALA A 172 130.661 -3.331 11.468 1.00 0.00 O ATOM 2365 CB ALA A 172 131.820 -4.246 8.612 1.00 0.00 C ATOM 0 H ALA A 172 133.360 -5.981 9.407 1.00 0.00 H new ATOM 0 HA ALA A 172 132.900 -3.329 10.239 1.00 0.00 H new ATOM 0 HB1 ALA A 172 131.133 -3.409 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 172 132.650 -4.143 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 172 131.294 -5.180 8.415 1.00 0.00 H new ATOM 2371 N ILE A 173 130.793 -5.574 11.358 1.00 0.00 N ATOM 2372 CA ILE A 173 129.683 -5.768 12.284 1.00 0.00 C ATOM 2373 C ILE A 173 130.044 -5.230 13.664 1.00 0.00 C ATOM 2374 O ILE A 173 129.171 -4.825 14.432 1.00 0.00 O ATOM 2375 CB ILE A 173 129.311 -7.256 12.367 1.00 0.00 C ATOM 2376 CG1 ILE A 173 130.269 -8.009 13.300 1.00 0.00 C ATOM 2377 CG2 ILE A 173 129.394 -7.870 10.972 1.00 0.00 C ATOM 2378 CD1 ILE A 173 129.618 -8.190 14.674 1.00 0.00 C ATOM 0 H ILE A 173 131.215 -6.434 11.007 1.00 0.00 H new ATOM 0 HA ILE A 173 128.819 -5.216 11.913 1.00 0.00 H new ATOM 0 HB ILE A 173 128.299 -7.339 12.763 1.00 0.00 H new ATOM 0 HG12 ILE A 173 130.517 -8.981 12.874 1.00 0.00 H new ATOM 0 HG13 ILE A 173 131.203 -7.457 13.400 1.00 0.00 H new ATOM 0 HG21 ILE A 173 129.131 -8.927 11.023 1.00 0.00 H new ATOM 0 HG22 ILE A 173 128.701 -7.356 10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 173 130.409 -7.767 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 173 130.302 -8.725 15.333 1.00 0.00 H new ATOM 0 HD12 ILE A 173 129.392 -7.213 15.101 1.00 0.00 H new ATOM 0 HD13 ILE A 173 128.696 -8.761 14.567 1.00 0.00 H new ATOM 2382 N LEU A 174 131.337 -5.223 13.968 1.00 0.00 N ATOM 2383 CA LEU A 174 131.803 -4.724 15.256 1.00 0.00 C ATOM 2384 C LEU A 174 131.557 -3.222 15.370 1.00 0.00 C ATOM 2385 O LEU A 174 131.272 -2.711 16.451 1.00 0.00 O ATOM 2386 CB LEU A 174 133.297 -5.013 15.423 1.00 0.00 C ATOM 2387 CG LEU A 174 133.539 -6.524 15.391 1.00 0.00 C ATOM 2388 CD1 LEU A 174 135.034 -6.803 15.537 1.00 0.00 C ATOM 2389 CD2 LEU A 174 132.788 -7.187 16.548 1.00 0.00 C ATOM 0 H LEU A 174 132.075 -5.554 13.347 1.00 0.00 H new ATOM 0 HA LEU A 174 131.246 -5.233 16.043 1.00 0.00 H new ATOM 0 HB2 LEU A 174 133.862 -4.528 14.627 1.00 0.00 H new ATOM 0 HB3 LEU A 174 133.654 -4.598 16.366 1.00 0.00 H new ATOM 0 HG LEU A 174 133.181 -6.927 14.444 1.00 0.00 H new ATOM 0 HD11 LEU A 174 135.207 -7.879 15.514 1.00 0.00 H new ATOM 0 HD12 LEU A 174 135.574 -6.331 14.716 1.00 0.00 H new ATOM 0 HD13 LEU A 174 135.389 -6.398 16.485 1.00 0.00 H new ATOM 0 HD21 LEU A 174 132.961 -8.263 16.525 1.00 0.00 H new ATOM 0 HD22 LEU A 174 133.147 -6.782 17.494 1.00 0.00 H new ATOM 0 HD23 LEU A 174 131.721 -6.989 16.450 1.00 0.00 H new ATOM 2395 N ALA A 175 131.687 -2.522 14.250 1.00 0.00 N ATOM 2396 CA ALA A 175 131.493 -1.075 14.230 1.00 0.00 C ATOM 2397 C ALA A 175 130.015 -0.697 14.352 1.00 0.00 C ATOM 2398 O ALA A 175 129.685 0.377 14.853 1.00 0.00 O ATOM 2399 CB ALA A 175 132.062 -0.499 12.933 1.00 0.00 C ATOM 0 H ALA A 175 131.925 -2.930 13.346 1.00 0.00 H new ATOM 0 HA ALA A 175 132.017 -0.657 15.089 1.00 0.00 H new ATOM 0 HB1 ALA A 175 131.916 0.581 12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 175 133.127 -0.722 12.872 1.00 0.00 H new ATOM 0 HB3 ALA A 175 131.549 -0.945 12.081 1.00 0.00 H new ATOM 2405 N ALA A 176 129.128 -1.569 13.877 1.00 0.00 N ATOM 2406 CA ALA A 176 127.695 -1.288 13.927 1.00 0.00 C ATOM 2407 C ALA A 176 127.208 -1.076 15.359 1.00 0.00 C ATOM 2408 O ALA A 176 126.410 -0.175 15.620 1.00 0.00 O ATOM 2409 CB ALA A 176 126.918 -2.442 13.294 1.00 0.00 C ATOM 0 H ALA A 176 129.372 -2.466 13.458 1.00 0.00 H new ATOM 0 HA ALA A 176 127.520 -0.367 13.370 1.00 0.00 H new ATOM 0 HB1 ALA A 176 125.850 -2.227 13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 176 127.225 -2.561 12.255 1.00 0.00 H new ATOM 0 HB3 ALA A 176 127.124 -3.362 13.841 1.00 0.00 H new ATOM 2415 N LEU A 177 127.681 -1.904 16.284 1.00 0.00 N ATOM 2416 CA LEU A 177 127.268 -1.779 17.678 1.00 0.00 C ATOM 2417 C LEU A 177 127.791 -0.476 18.275 1.00 0.00 C ATOM 2418 O LEU A 177 127.214 0.065 19.217 1.00 0.00 O ATOM 2419 CB LEU A 177 127.772 -2.971 18.496 1.00 0.00 C ATOM 2420 CG LEU A 177 129.284 -2.857 18.699 1.00 0.00 C ATOM 2421 CD1 LEU A 177 129.573 -2.358 20.115 1.00 0.00 C ATOM 2422 CD2 LEU A 177 129.933 -4.231 18.503 1.00 0.00 C ATOM 0 H LEU A 177 128.341 -2.659 16.099 1.00 0.00 H new ATOM 0 HA LEU A 177 126.179 -1.767 17.712 1.00 0.00 H new ATOM 0 HB2 LEU A 177 127.267 -3.001 19.462 1.00 0.00 H new ATOM 0 HB3 LEU A 177 127.534 -3.903 17.983 1.00 0.00 H new ATOM 0 HG LEU A 177 129.694 -2.154 17.974 1.00 0.00 H new ATOM 0 HD11 LEU A 177 130.650 -2.277 20.259 1.00 0.00 H new ATOM 0 HD12 LEU A 177 129.113 -1.380 20.257 1.00 0.00 H new ATOM 0 HD13 LEU A 177 129.162 -3.061 20.839 1.00 0.00 H new ATOM 0 HD21 LEU A 177 131.010 -4.149 18.648 1.00 0.00 H new ATOM 0 HD22 LEU A 177 129.522 -4.934 19.228 1.00 0.00 H new ATOM 0 HD23 LEU A 177 129.729 -4.589 17.494 1.00 0.00 H new ATOM 2428 N GLU A 178 128.889 0.022 17.716 1.00 0.00 N ATOM 2429 CA GLU A 178 129.485 1.262 18.196 1.00 0.00 C ATOM 2430 C GLU A 178 129.010 2.444 17.356 1.00 0.00 C ATOM 2431 O GLU A 178 128.566 3.454 17.898 1.00 99.99 O ATOM 2432 CB GLU A 178 131.009 1.167 18.131 1.00 0.00 C ATOM 2433 CG GLU A 178 131.627 2.422 18.750 1.00 0.00 C ATOM 2434 CD GLU A 178 133.144 2.385 18.596 1.00 0.00 C ATOM 2435 OE1 GLU A 178 133.638 1.424 18.029 1.00 0.00 O ATOM 2436 OE2 GLU A 178 133.789 3.318 19.046 1.00 0.00 O ATOM 0 H GLU A 178 129.381 -0.411 16.935 1.00 0.00 H new ATOM 0 HA GLU A 178 129.175 1.417 19.229 1.00 0.00 H new ATOM 0 HB2 GLU A 178 131.351 0.280 18.664 1.00 0.00 H new ATOM 0 HB3 GLU A 178 131.333 1.062 17.096 1.00 0.00 H new ATOM 0 HG2 GLU A 178 131.225 3.312 18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 178 131.362 2.486 19.805 1.00 0.00 H new