USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 862 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 86 MET CE :methyl -127:sc= -1.13 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -27:sc= 1.13 USER MOD Set 1.3: A 93 SER OG : rot 24:sc= 0.86 USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= -0.8! USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 LYS NZ :NH3+ 159:sc= 0.64 (180deg=0) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0.566 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.404 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -162:sc= -3.29! (180deg=-3.61!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 24:sc= 0.418 USER MOD Single : A 22 HIS : no HD1:sc= -5.98! C(o=-6!,f=-6.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -1.28 F(o=-2.3!,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -4.44 K(o=-4.4,f=-5.7!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 49:sc= 0.754 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0147 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 28:sc= 0.102 USER MOD Single : A 53 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3!) USER MOD Single : A 57 ASN : amide:sc= -0.504 K(o=-0.5,f=-5!) USER MOD Single : A 58 THR OG1 : rot 104:sc= 0.419 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00319 X(o=-0.0032,f=-0.076) USER MOD Single : A 64 ASN : amide:sc= 0.00704 K(o=0.007,f=-5.8!) USER MOD Single : A 66 THR OG1 : rot 19:sc= 1.09 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3!) USER MOD Single : A 79 THR OG1 : rot 72:sc= 1.01 USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 84 SER OG : rot 72:sc= 0.15 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 90:sc= -0.21 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00775 USER MOD Single : A 97 SER OG : rot -4:sc= -2.26! USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -160:sc= 0.125 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.738 -7.076 20.233 1.00 0.00 N ATOM 2 CA GLY A 1 2.849 -7.930 19.855 1.00 0.00 C ATOM 3 C GLY A 1 4.051 -7.140 19.378 1.00 0.00 C ATOM 4 O GLY A 1 4.372 -7.141 18.189 1.00 0.00 O ATOM 0 H1 GLY A 1 0.941 -7.664 20.552 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.033 -6.444 21.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.443 -6.507 19.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.137 -8.545 20.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.528 -8.610 19.066 1.00 0.00 H new ATOM 8 N SER A 2 4.718 -6.461 20.306 1.00 0.00 N ATOM 9 CA SER A 2 5.888 -5.658 19.973 1.00 0.00 C ATOM 10 C SER A 2 6.849 -6.441 19.083 1.00 0.00 C ATOM 11 O SER A 2 7.206 -5.996 17.993 1.00 0.00 O ATOM 12 CB SER A 2 6.606 -5.211 21.248 1.00 0.00 C ATOM 13 OG SER A 2 7.737 -4.413 20.944 1.00 0.00 O ATOM 0 H SER A 2 4.468 -6.451 21.295 1.00 0.00 H new ATOM 0 HA SER A 2 5.550 -4.777 19.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.918 -4.647 21.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.917 -6.086 21.819 1.00 0.00 H new ATOM 0 HG SER A 2 8.177 -4.139 21.776 1.00 0.00 H new ATOM 19 N SER A 3 7.264 -7.612 19.557 1.00 0.00 N ATOM 20 CA SER A 3 8.186 -8.457 18.808 1.00 0.00 C ATOM 21 C SER A 3 9.376 -7.647 18.303 1.00 0.00 C ATOM 22 O SER A 3 9.831 -7.828 17.174 1.00 0.00 O ATOM 23 CB SER A 3 7.465 -9.114 17.629 1.00 0.00 C ATOM 24 OG SER A 3 8.282 -10.096 17.015 1.00 0.00 O ATOM 0 H SER A 3 6.976 -7.997 20.457 1.00 0.00 H new ATOM 0 HA SER A 3 8.555 -9.234 19.478 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.538 -9.572 17.975 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.191 -8.354 16.897 1.00 0.00 H new ATOM 0 HG SER A 3 9.138 -9.695 16.757 1.00 0.00 H new ATOM 30 N GLY A 4 9.877 -6.752 19.150 1.00 0.00 N ATOM 31 CA GLY A 4 11.010 -5.928 18.773 1.00 0.00 C ATOM 32 C GLY A 4 10.631 -4.834 17.794 1.00 0.00 C ATOM 33 O GLY A 4 10.967 -4.905 16.612 1.00 0.00 O ATOM 0 H GLY A 4 9.518 -6.583 20.090 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.441 -5.478 19.667 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.781 -6.557 18.329 1.00 0.00 H new ATOM 37 N SER A 5 9.927 -3.819 18.287 1.00 0.00 N ATOM 38 CA SER A 5 9.497 -2.708 17.446 1.00 0.00 C ATOM 39 C SER A 5 10.647 -1.737 17.199 1.00 0.00 C ATOM 40 O SER A 5 10.852 -1.273 16.077 1.00 0.00 O ATOM 41 CB SER A 5 8.324 -1.973 18.098 1.00 0.00 C ATOM 42 OG SER A 5 7.675 -1.124 17.167 1.00 0.00 O ATOM 0 H SER A 5 9.643 -3.744 19.264 1.00 0.00 H new ATOM 0 HA SER A 5 9.175 -3.113 16.487 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.611 -2.697 18.493 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.683 -1.385 18.943 1.00 0.00 H new ATOM 0 HG SER A 5 6.928 -0.667 17.607 1.00 0.00 H new ATOM 48 N SER A 6 11.395 -1.434 18.255 1.00 0.00 N ATOM 49 CA SER A 6 12.523 -0.515 18.154 1.00 0.00 C ATOM 50 C SER A 6 13.789 -1.253 17.733 1.00 0.00 C ATOM 51 O SER A 6 14.337 -2.052 18.491 1.00 0.00 O ATOM 52 CB SER A 6 12.752 0.192 19.492 1.00 0.00 C ATOM 53 OG SER A 6 11.574 0.845 19.932 1.00 0.00 O ATOM 0 H SER A 6 11.241 -1.811 19.190 1.00 0.00 H new ATOM 0 HA SER A 6 12.287 0.229 17.393 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.070 -0.534 20.240 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.558 0.919 19.390 1.00 0.00 H new ATOM 0 HG SER A 6 11.746 1.287 20.789 1.00 0.00 H new ATOM 59 N GLY A 7 14.249 -0.979 16.515 1.00 0.00 N ATOM 60 CA GLY A 7 15.447 -1.625 16.012 1.00 0.00 C ATOM 61 C GLY A 7 15.408 -1.831 14.511 1.00 0.00 C ATOM 62 O GLY A 7 16.082 -1.136 13.750 1.00 0.00 O ATOM 0 H GLY A 7 13.813 -0.321 15.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.317 -1.021 16.270 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.570 -2.589 16.505 1.00 0.00 H new ATOM 66 N PRO A 8 14.605 -2.808 14.064 1.00 0.00 N ATOM 67 CA PRO A 8 14.462 -3.127 12.641 1.00 0.00 C ATOM 68 C PRO A 8 13.724 -2.035 11.873 1.00 0.00 C ATOM 69 O PRO A 8 13.124 -1.142 12.470 1.00 0.00 O ATOM 70 CB PRO A 8 13.645 -4.421 12.647 1.00 0.00 C ATOM 71 CG PRO A 8 12.886 -4.383 13.928 1.00 0.00 C ATOM 72 CD PRO A 8 13.773 -3.676 14.915 1.00 0.00 C ATOM 0 HA PRO A 8 15.429 -3.219 12.146 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.973 -4.469 11.790 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.291 -5.297 12.595 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.940 -3.855 13.806 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.647 -5.390 14.270 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.193 -3.097 15.634 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.379 -4.379 15.486 1.00 0.00 H new ATOM 80 N MET A 9 13.774 -2.114 10.547 1.00 0.00 N ATOM 81 CA MET A 9 13.108 -1.132 9.699 1.00 0.00 C ATOM 82 C MET A 9 11.707 -0.826 10.218 1.00 0.00 C ATOM 83 O MET A 9 10.968 -1.730 10.606 1.00 0.00 O ATOM 84 CB MET A 9 13.031 -1.641 8.258 1.00 0.00 C ATOM 85 CG MET A 9 14.391 -1.818 7.602 1.00 0.00 C ATOM 86 SD MET A 9 15.152 -0.247 7.148 1.00 0.00 S ATOM 87 CE MET A 9 13.980 0.358 5.936 1.00 0.00 C ATOM 0 H MET A 9 14.268 -2.847 10.037 1.00 0.00 H new ATOM 0 HA MET A 9 13.693 -0.213 9.722 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.504 -2.595 8.246 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.439 -0.943 7.666 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.052 -2.354 8.283 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.283 -2.436 6.711 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.448 1.139 5.336 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.671 -0.462 5.288 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.107 0.766 6.446 1.00 0.00 H new ATOM 97 N MET A 10 11.349 0.454 10.222 1.00 0.00 N ATOM 98 CA MET A 10 10.036 0.878 10.693 1.00 0.00 C ATOM 99 C MET A 10 9.037 0.935 9.541 1.00 0.00 C ATOM 100 O MET A 10 9.256 1.605 8.531 1.00 0.00 O ATOM 101 CB MET A 10 10.131 2.247 11.369 1.00 0.00 C ATOM 102 CG MET A 10 10.852 2.216 12.707 1.00 0.00 C ATOM 103 SD MET A 10 11.686 3.769 13.083 1.00 0.00 S ATOM 104 CE MET A 10 13.395 3.312 12.805 1.00 0.00 C ATOM 0 H MET A 10 11.949 1.215 9.905 1.00 0.00 H new ATOM 0 HA MET A 10 9.684 0.145 11.419 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.649 2.937 10.703 1.00 0.00 H new ATOM 0 HB3 MET A 10 9.125 2.641 11.517 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.135 1.993 13.497 1.00 0.00 H new ATOM 0 HG3 MET A 10 11.583 1.407 12.703 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.037 4.171 12.998 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.668 2.498 13.476 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.522 2.989 11.772 1.00 0.00 H new ATOM 114 N PRO A 11 7.915 0.217 9.693 1.00 0.00 N ATOM 115 CA PRO A 11 6.861 0.170 8.676 1.00 0.00 C ATOM 116 C PRO A 11 6.114 1.494 8.554 1.00 0.00 C ATOM 117 O PRO A 11 6.066 2.296 9.487 1.00 0.00 O ATOM 118 CB PRO A 11 5.924 -0.928 9.185 1.00 0.00 C ATOM 119 CG PRO A 11 6.142 -0.958 10.659 1.00 0.00 C ATOM 120 CD PRO A 11 7.588 -0.605 10.871 1.00 0.00 C ATOM 0 HA PRO A 11 7.263 -0.022 7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.885 -0.705 8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.158 -1.891 8.730 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.489 -0.247 11.165 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.917 -1.943 11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.735 -0.053 11.799 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.215 -1.495 10.927 1.00 0.00 H new ATOM 128 N PRO A 12 5.515 1.730 7.377 1.00 0.00 N ATOM 129 CA PRO A 12 4.758 2.955 7.106 1.00 0.00 C ATOM 130 C PRO A 12 3.454 3.017 7.893 1.00 0.00 C ATOM 131 O PRO A 12 2.638 2.097 7.836 1.00 0.00 O ATOM 132 CB PRO A 12 4.472 2.871 5.604 1.00 0.00 C ATOM 133 CG PRO A 12 4.508 1.415 5.293 1.00 0.00 C ATOM 134 CD PRO A 12 5.530 0.818 6.221 1.00 0.00 C ATOM 0 HA PRO A 12 5.310 3.848 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.502 3.304 5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.218 3.418 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.530 0.959 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.780 1.245 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.266 -0.200 6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.516 0.773 5.758 1.00 0.00 H new ATOM 142 N VAL A 13 3.263 4.108 8.628 1.00 0.00 N ATOM 143 CA VAL A 13 2.056 4.291 9.427 1.00 0.00 C ATOM 144 C VAL A 13 1.057 5.194 8.713 1.00 0.00 C ATOM 145 O VAL A 13 1.329 5.701 7.626 1.00 0.00 O ATOM 146 CB VAL A 13 2.382 4.893 10.806 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.314 3.975 11.583 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.991 6.278 10.652 1.00 0.00 C ATOM 0 H VAL A 13 3.928 4.879 8.687 1.00 0.00 H new ATOM 0 HA VAL A 13 1.615 3.304 9.565 1.00 0.00 H new ATOM 0 HB VAL A 13 1.454 4.990 11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.533 4.417 12.555 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.835 3.006 11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.242 3.843 11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.215 6.688 11.637 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.910 6.209 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.285 6.931 10.139 1.00 0.00 H new ATOM 158 N GLY A 14 -0.102 5.392 9.334 1.00 0.00 N ATOM 159 CA GLY A 14 -1.126 6.235 8.744 1.00 0.00 C ATOM 160 C GLY A 14 -1.522 5.779 7.354 1.00 0.00 C ATOM 161 O GLY A 14 -1.799 6.599 6.478 1.00 0.00 O ATOM 0 H GLY A 14 -0.350 4.984 10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.006 6.236 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.764 7.262 8.697 1.00 0.00 H new ATOM 165 N VAL A 15 -1.549 4.466 7.149 1.00 0.00 N ATOM 166 CA VAL A 15 -1.914 3.901 5.855 1.00 0.00 C ATOM 167 C VAL A 15 -3.428 3.884 5.670 1.00 0.00 C ATOM 168 O VAL A 15 -4.138 3.150 6.356 1.00 0.00 O ATOM 169 CB VAL A 15 -1.373 2.468 5.695 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.677 1.934 4.304 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.122 2.429 5.975 1.00 0.00 C ATOM 0 H VAL A 15 -1.322 3.773 7.863 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.464 4.538 5.094 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.873 1.827 6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.287 0.920 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.755 1.924 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.207 2.574 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.488 1.409 5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.641 3.083 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.310 2.767 6.994 1.00 0.00 H new ATOM 181 N GLN A 16 -3.913 4.699 4.739 1.00 0.00 N ATOM 182 CA GLN A 16 -5.343 4.778 4.464 1.00 0.00 C ATOM 183 C GLN A 16 -5.609 4.784 2.962 1.00 0.00 C ATOM 184 O GLN A 16 -4.755 5.187 2.172 1.00 0.00 O ATOM 185 CB GLN A 16 -5.939 6.032 5.104 1.00 0.00 C ATOM 186 CG GLN A 16 -6.019 5.962 6.621 1.00 0.00 C ATOM 187 CD GLN A 16 -6.408 7.286 7.247 1.00 0.00 C ATOM 188 OE1 GLN A 16 -7.592 7.605 7.368 1.00 0.00 O ATOM 189 NE2 GLN A 16 -5.412 8.066 7.650 1.00 0.00 N ATOM 0 H GLN A 16 -3.338 5.313 4.163 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.819 3.898 4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.338 6.896 4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.939 6.194 4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.745 5.202 6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.054 5.647 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.446 7.762 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.613 8.969 8.079 1.00 0.00 H new ATOM 198 N ALA A 17 -6.798 4.334 2.575 1.00 0.00 N ATOM 199 CA ALA A 17 -7.177 4.289 1.168 1.00 0.00 C ATOM 200 C ALA A 17 -8.383 5.182 0.895 1.00 0.00 C ATOM 201 O ALA A 17 -9.449 4.997 1.481 1.00 0.00 O ATOM 202 CB ALA A 17 -7.471 2.858 0.746 1.00 0.00 C ATOM 0 H ALA A 17 -7.515 3.995 3.216 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.340 4.665 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.753 2.840 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.582 2.245 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.289 2.462 1.347 1.00 0.00 H new ATOM 208 N SER A 18 -8.206 6.152 0.003 1.00 0.00 N ATOM 209 CA SER A 18 -9.279 7.077 -0.343 1.00 0.00 C ATOM 210 C SER A 18 -9.915 6.696 -1.676 1.00 0.00 C ATOM 211 O SER A 18 -9.291 6.818 -2.731 1.00 0.00 O ATOM 212 CB SER A 18 -8.744 8.509 -0.410 1.00 0.00 C ATOM 213 OG SER A 18 -8.771 9.124 0.866 1.00 0.00 O ATOM 0 H SER A 18 -7.330 6.317 -0.493 1.00 0.00 H new ATOM 0 HA SER A 18 -10.042 7.018 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.723 8.502 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.342 9.092 -1.111 1.00 0.00 H new ATOM 0 HG SER A 18 -8.423 10.037 0.796 1.00 0.00 H new ATOM 219 N ILE A 19 -11.159 6.233 -1.620 1.00 0.00 N ATOM 220 CA ILE A 19 -11.881 5.836 -2.823 1.00 0.00 C ATOM 221 C ILE A 19 -12.212 7.045 -3.691 1.00 0.00 C ATOM 222 O ILE A 19 -12.871 7.983 -3.242 1.00 0.00 O ATOM 223 CB ILE A 19 -13.185 5.093 -2.477 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.920 4.016 -1.423 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.793 4.479 -3.729 1.00 0.00 C ATOM 226 CD1 ILE A 19 -12.017 2.904 -1.909 1.00 0.00 C ATOM 0 H ILE A 19 -11.688 6.123 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.225 5.164 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.896 5.810 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.470 4.481 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.871 3.588 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.714 3.957 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.014 5.266 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.088 3.773 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.873 2.177 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.474 2.413 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.052 3.320 -2.200 1.00 0.00 H new ATOM 238 N LEU A 20 -11.751 7.015 -4.937 1.00 0.00 N ATOM 239 CA LEU A 20 -12.000 8.109 -5.870 1.00 0.00 C ATOM 240 C LEU A 20 -12.951 7.672 -6.980 1.00 0.00 C ATOM 241 O LEU A 20 -13.863 8.407 -7.355 1.00 0.00 O ATOM 242 CB LEU A 20 -10.683 8.599 -6.474 1.00 0.00 C ATOM 243 CG LEU A 20 -9.590 8.986 -5.478 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.271 9.221 -6.197 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.999 10.223 -4.691 1.00 0.00 C ATOM 0 H LEU A 20 -11.204 6.246 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.466 8.926 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.292 7.817 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.895 9.463 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.456 8.162 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.505 9.496 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.971 8.310 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.390 10.027 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.209 10.484 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.162 11.054 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.919 10.018 -4.144 1.00 0.00 H new ATOM 257 N SER A 21 -12.731 6.468 -7.500 1.00 0.00 N ATOM 258 CA SER A 21 -13.567 5.933 -8.569 1.00 0.00 C ATOM 259 C SER A 21 -13.553 4.408 -8.557 1.00 0.00 C ATOM 260 O SER A 21 -12.951 3.787 -7.679 1.00 0.00 O ATOM 261 CB SER A 21 -13.088 6.449 -9.927 1.00 0.00 C ATOM 262 OG SER A 21 -13.649 7.717 -10.218 1.00 0.00 O ATOM 0 H SER A 21 -11.982 5.845 -7.199 1.00 0.00 H new ATOM 0 HA SER A 21 -14.590 6.271 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.000 6.520 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.363 5.739 -10.707 1.00 0.00 H new ATOM 0 HG SER A 21 -13.907 8.160 -9.383 1.00 0.00 H new ATOM 268 N HIS A 22 -14.220 3.808 -9.539 1.00 0.00 N ATOM 269 CA HIS A 22 -14.284 2.355 -9.643 1.00 0.00 C ATOM 270 C HIS A 22 -12.887 1.758 -9.783 1.00 0.00 C ATOM 271 O HIS A 22 -12.590 0.708 -9.213 1.00 0.00 O ATOM 272 CB HIS A 22 -15.148 1.946 -10.836 1.00 0.00 C ATOM 273 CG HIS A 22 -14.514 2.236 -12.162 1.00 0.00 C ATOM 274 ND1 HIS A 22 -13.965 3.460 -12.482 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.341 1.452 -13.251 1.00 0.00 C ATOM 276 CE1 HIS A 22 -13.484 3.416 -13.712 1.00 0.00 C ATOM 277 NE2 HIS A 22 -13.699 2.208 -14.201 1.00 0.00 N ATOM 0 H HIS A 22 -14.723 4.306 -10.273 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.734 1.969 -8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.362 0.879 -10.770 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.104 2.467 -10.778 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.650 0.422 -13.354 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.998 4.230 -14.230 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.432 1.889 -15.132 1.00 0.00 H new ATOM 286 N ASP A 23 -12.034 2.434 -10.544 1.00 0.00 N ATOM 287 CA ASP A 23 -10.668 1.970 -10.759 1.00 0.00 C ATOM 288 C ASP A 23 -9.660 3.019 -10.300 1.00 0.00 C ATOM 289 O ASP A 23 -8.613 3.205 -10.923 1.00 0.00 O ATOM 290 CB ASP A 23 -10.444 1.641 -12.236 1.00 0.00 C ATOM 291 CG ASP A 23 -10.195 2.880 -13.073 1.00 0.00 C ATOM 292 OD1 ASP A 23 -10.825 3.921 -12.794 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.371 2.808 -14.009 1.00 0.00 O ATOM 0 H ASP A 23 -12.264 3.305 -11.022 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.520 1.066 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.594 0.966 -12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.315 1.113 -12.624 1.00 0.00 H new ATOM 298 N THR A 24 -9.982 3.704 -9.207 1.00 0.00 N ATOM 299 CA THR A 24 -9.106 4.736 -8.666 1.00 0.00 C ATOM 300 C THR A 24 -9.088 4.698 -7.142 1.00 0.00 C ATOM 301 O THR A 24 -10.139 4.703 -6.500 1.00 0.00 O ATOM 302 CB THR A 24 -9.540 6.140 -9.129 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.862 6.118 -10.524 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.438 7.158 -8.873 1.00 0.00 C ATOM 0 H THR A 24 -10.843 3.563 -8.679 1.00 0.00 H new ATOM 0 HA THR A 24 -8.104 4.531 -9.043 1.00 0.00 H new ATOM 0 HB THR A 24 -10.422 6.431 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.138 7.014 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.767 8.142 -9.208 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.216 7.193 -7.806 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.541 6.869 -9.421 1.00 0.00 H new ATOM 312 N ILE A 25 -7.890 4.662 -6.570 1.00 0.00 N ATOM 313 CA ILE A 25 -7.736 4.625 -5.121 1.00 0.00 C ATOM 314 C ILE A 25 -6.412 5.248 -4.692 1.00 0.00 C ATOM 315 O ILE A 25 -5.347 4.854 -5.168 1.00 0.00 O ATOM 316 CB ILE A 25 -7.811 3.184 -4.583 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.137 2.535 -4.985 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.648 3.174 -3.070 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.339 1.157 -4.394 1.00 0.00 C ATOM 0 H ILE A 25 -7.011 4.658 -7.088 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.559 5.204 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.997 2.606 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.958 3.180 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.184 2.466 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.703 2.148 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.681 3.602 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.443 3.765 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.299 0.758 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.539 0.497 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.325 1.222 -3.306 1.00 0.00 H new ATOM 331 N ARG A 26 -6.486 6.220 -3.790 1.00 0.00 N ATOM 332 CA ARG A 26 -5.292 6.897 -3.296 1.00 0.00 C ATOM 333 C ARG A 26 -4.791 6.246 -2.010 1.00 0.00 C ATOM 334 O ARG A 26 -5.553 6.055 -1.062 1.00 0.00 O ATOM 335 CB ARG A 26 -5.585 8.378 -3.051 1.00 0.00 C ATOM 336 CG ARG A 26 -4.339 9.211 -2.795 1.00 0.00 C ATOM 337 CD ARG A 26 -4.693 10.610 -2.316 1.00 0.00 C ATOM 338 NE ARG A 26 -3.511 11.455 -2.174 1.00 0.00 N ATOM 339 CZ ARG A 26 -3.560 12.735 -1.823 1.00 0.00 C ATOM 340 NH1 ARG A 26 -4.728 13.315 -1.580 1.00 0.00 N ATOM 341 NH2 ARG A 26 -2.440 13.439 -1.714 1.00 0.00 N ATOM 0 H ARG A 26 -7.360 6.557 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.514 6.808 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.112 8.783 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.256 8.471 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.716 8.717 -2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.750 9.277 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.385 11.070 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.210 10.545 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.597 11.039 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.591 12.778 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.763 14.298 -1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.540 12.997 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.480 14.422 -1.444 1.00 0.00 H new ATOM 355 N ILE A 27 -3.506 5.909 -1.986 1.00 0.00 N ATOM 356 CA ILE A 27 -2.904 5.280 -0.817 1.00 0.00 C ATOM 357 C ILE A 27 -1.771 6.134 -0.257 1.00 0.00 C ATOM 358 O ILE A 27 -0.690 6.214 -0.842 1.00 0.00 O ATOM 359 CB ILE A 27 -2.360 3.879 -1.149 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.486 2.979 -1.662 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.699 3.263 0.076 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.609 2.790 -0.666 1.00 0.00 C ATOM 0 H ILE A 27 -2.862 6.061 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.690 5.187 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.610 3.974 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.892 3.406 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.072 2.004 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.319 2.273 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.874 3.896 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.430 3.178 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.372 2.141 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.216 2.335 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.049 3.758 -0.426 1.00 0.00 H new ATOM 374 N THR A 28 -2.025 6.770 0.883 1.00 0.00 N ATOM 375 CA THR A 28 -1.027 7.617 1.524 1.00 0.00 C ATOM 376 C THR A 28 -0.596 7.040 2.868 1.00 0.00 C ATOM 377 O THR A 28 -1.356 6.320 3.516 1.00 0.00 O ATOM 378 CB THR A 28 -1.558 9.047 1.739 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.806 9.006 2.440 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.741 9.761 0.408 1.00 0.00 C ATOM 0 H THR A 28 -2.913 6.714 1.381 1.00 0.00 H new ATOM 0 HA THR A 28 -0.167 7.653 0.855 1.00 0.00 H new ATOM 0 HB THR A 28 -0.827 9.598 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.136 9.919 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.117 10.769 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.784 9.816 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.454 9.210 -0.205 1.00 0.00 H new ATOM 388 N TRP A 29 0.625 7.359 3.280 1.00 0.00 N ATOM 389 CA TRP A 29 1.155 6.872 4.548 1.00 0.00 C ATOM 390 C TRP A 29 2.240 7.804 5.078 1.00 0.00 C ATOM 391 O TRP A 29 2.522 8.844 4.484 1.00 0.00 O ATOM 392 CB TRP A 29 1.716 5.459 4.380 1.00 0.00 C ATOM 393 CG TRP A 29 2.842 5.380 3.394 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.165 5.617 3.640 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.744 5.042 2.007 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.895 5.447 2.488 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.047 5.093 1.472 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.683 4.700 1.164 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.313 4.816 0.134 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.950 4.425 -0.164 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.256 4.483 -0.668 1.00 0.00 C ATOM 0 H TRP A 29 1.267 7.953 2.755 1.00 0.00 H new ATOM 0 HA TRP A 29 0.339 6.848 5.270 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.064 5.097 5.347 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.915 4.793 4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.576 5.897 4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.905 5.565 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.673 4.651 1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.319 4.862 -0.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.138 4.161 -0.825 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.432 4.260 -1.710 1.00 0.00 H new ATOM 412 N ALA A 30 2.846 7.423 6.198 1.00 0.00 N ATOM 413 CA ALA A 30 3.901 8.224 6.806 1.00 0.00 C ATOM 414 C ALA A 30 5.018 7.338 7.349 1.00 0.00 C ATOM 415 O ALA A 30 4.872 6.119 7.431 1.00 0.00 O ATOM 416 CB ALA A 30 3.330 9.096 7.914 1.00 0.00 C ATOM 0 H ALA A 30 2.624 6.565 6.702 1.00 0.00 H new ATOM 0 HA ALA A 30 4.325 8.868 6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.129 9.689 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.573 9.761 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.878 8.464 8.678 1.00 0.00 H new ATOM 422 N ASP A 31 6.132 7.960 7.717 1.00 0.00 N ATOM 423 CA ASP A 31 7.275 7.228 8.253 1.00 0.00 C ATOM 424 C ASP A 31 7.935 8.006 9.387 1.00 0.00 C ATOM 425 O ASP A 31 8.325 9.161 9.216 1.00 0.00 O ATOM 426 CB ASP A 31 8.294 6.951 7.147 1.00 0.00 C ATOM 427 CG ASP A 31 9.266 5.849 7.519 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.836 4.871 8.166 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.457 5.963 7.162 1.00 0.00 O ATOM 0 H ASP A 31 6.269 8.969 7.654 1.00 0.00 H new ATOM 0 HA ASP A 31 6.914 6.279 8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.768 6.675 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.849 7.864 6.931 1.00 0.00 H new ATOM 434 N ASN A 32 8.057 7.366 10.545 1.00 0.00 N ATOM 435 CA ASN A 32 8.669 7.998 11.707 1.00 0.00 C ATOM 436 C ASN A 32 10.191 7.992 11.592 1.00 0.00 C ATOM 437 O ASN A 32 10.864 8.898 12.082 1.00 0.00 O ATOM 438 CB ASN A 32 8.241 7.281 12.989 1.00 0.00 C ATOM 439 CG ASN A 32 8.077 5.787 12.788 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.934 5.384 12.245 1.00 0.00 O flip ATOM 441 ND2 ASN A 32 8.968 5.003 13.117 1.00 0.00 N flip ATOM 0 H ASN A 32 7.740 6.410 10.703 1.00 0.00 H new ATOM 0 HA ASN A 32 8.329 9.033 11.747 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.982 7.461 13.768 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.300 7.703 13.341 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.831 5.356 13.531 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.843 4.001 12.975 1.00 0.00 H new ATOM 448 N SER A 33 10.725 6.964 10.941 1.00 0.00 N ATOM 449 CA SER A 33 12.167 6.838 10.764 1.00 0.00 C ATOM 450 C SER A 33 12.767 8.141 10.246 1.00 0.00 C ATOM 451 O SER A 33 13.822 8.579 10.706 1.00 0.00 O ATOM 452 CB SER A 33 12.485 5.696 9.796 1.00 0.00 C ATOM 453 OG SER A 33 13.870 5.652 9.498 1.00 0.00 O ATOM 0 H SER A 33 10.181 6.207 10.527 1.00 0.00 H new ATOM 0 HA SER A 33 12.609 6.616 11.735 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.173 4.747 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.916 5.826 8.876 1.00 0.00 H new ATOM 0 HG SER A 33 14.048 4.913 8.879 1.00 0.00 H new ATOM 459 N LEU A 34 12.087 8.757 9.284 1.00 0.00 N ATOM 460 CA LEU A 34 12.552 10.011 8.702 1.00 0.00 C ATOM 461 C LEU A 34 12.903 11.020 9.790 1.00 0.00 C ATOM 462 O LEU A 34 12.306 11.041 10.867 1.00 0.00 O ATOM 463 CB LEU A 34 11.482 10.593 7.777 1.00 0.00 C ATOM 464 CG LEU A 34 11.255 9.849 6.460 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.043 10.409 5.732 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.494 9.932 5.581 1.00 0.00 C ATOM 0 H LEU A 34 11.213 8.408 8.891 1.00 0.00 H new ATOM 0 HA LEU A 34 13.451 9.803 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.538 10.624 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.751 11.624 7.547 1.00 0.00 H new ATOM 0 HG LEU A 34 11.064 8.800 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.897 9.867 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.158 10.296 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.203 11.466 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.315 9.397 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.717 10.977 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.340 9.482 6.101 1.00 0.00 H new ATOM 478 N PRO A 35 13.893 11.879 9.504 1.00 0.00 N ATOM 479 CA PRO A 35 14.343 12.909 10.445 1.00 0.00 C ATOM 480 C PRO A 35 13.309 14.012 10.637 1.00 0.00 C ATOM 481 O PRO A 35 12.139 13.848 10.290 1.00 0.00 O ATOM 482 CB PRO A 35 15.605 13.467 9.782 1.00 0.00 C ATOM 483 CG PRO A 35 15.419 13.199 8.329 1.00 0.00 C ATOM 484 CD PRO A 35 14.647 11.911 8.241 1.00 0.00 C ATOM 0 HA PRO A 35 14.512 12.504 11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 35 15.716 14.534 9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.502 12.978 10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.876 14.013 7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.380 13.113 7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.983 11.898 7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.310 11.051 8.147 1.00 0.00 H new ATOM 492 N LYS A 36 13.747 15.138 11.190 1.00 0.00 N ATOM 493 CA LYS A 36 12.860 16.271 11.426 1.00 0.00 C ATOM 494 C LYS A 36 12.618 17.051 10.138 1.00 0.00 C ATOM 495 O LYS A 36 12.659 18.282 10.128 1.00 0.00 O ATOM 496 CB LYS A 36 13.453 17.196 12.491 1.00 0.00 C ATOM 497 CG LYS A 36 13.043 16.833 13.908 1.00 0.00 C ATOM 498 CD LYS A 36 13.949 15.763 14.494 1.00 0.00 C ATOM 499 CE LYS A 36 13.438 14.366 14.177 1.00 0.00 C ATOM 500 NZ LYS A 36 12.476 13.880 15.205 1.00 0.00 N ATOM 0 H LYS A 36 14.712 15.290 11.483 1.00 0.00 H new ATOM 0 HA LYS A 36 11.905 15.884 11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.540 17.170 12.418 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.144 18.220 12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.076 17.723 14.536 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.012 16.479 13.910 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.957 15.881 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.014 15.891 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.954 14.369 13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.280 13.677 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.151 12.925 14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.944 13.852 16.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.660 14.523 15.248 1.00 0.00 H new ATOM 514 N HIS A 37 12.366 16.327 9.052 1.00 0.00 N ATOM 515 CA HIS A 37 12.115 16.952 7.758 1.00 0.00 C ATOM 516 C HIS A 37 11.738 15.906 6.713 1.00 0.00 C ATOM 517 O HIS A 37 12.586 15.140 6.256 1.00 0.00 O ATOM 518 CB HIS A 37 13.349 17.729 7.296 1.00 0.00 C ATOM 519 CG HIS A 37 14.627 16.961 7.434 1.00 0.00 C ATOM 520 ND1 HIS A 37 15.270 16.372 6.366 1.00 0.00 N ATOM 521 CD2 HIS A 37 15.383 16.690 8.523 1.00 0.00 C ATOM 522 CE1 HIS A 37 16.365 15.769 6.793 1.00 0.00 C ATOM 523 NE2 HIS A 37 16.457 15.947 8.098 1.00 0.00 N ATOM 0 H HIS A 37 12.330 15.308 9.042 1.00 0.00 H new ATOM 0 HA HIS A 37 11.280 17.643 7.872 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.218 18.016 6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.425 18.651 7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.180 17.000 9.537 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.066 15.223 6.179 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.204 15.591 8.694 1.00 0.00 H new ATOM 532 N GLN A 38 10.462 15.881 6.342 1.00 0.00 N ATOM 533 CA GLN A 38 9.974 14.928 5.352 1.00 0.00 C ATOM 534 C GLN A 38 10.796 15.005 4.070 1.00 0.00 C ATOM 535 O GLN A 38 10.475 15.769 3.159 1.00 0.00 O ATOM 536 CB GLN A 38 8.499 15.191 5.044 1.00 0.00 C ATOM 537 CG GLN A 38 7.596 15.097 6.263 1.00 0.00 C ATOM 538 CD GLN A 38 7.131 13.680 6.536 1.00 0.00 C ATOM 539 OE1 GLN A 38 6.046 13.279 6.114 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.951 12.914 7.246 1.00 0.00 N ATOM 0 H GLN A 38 9.748 16.509 6.711 1.00 0.00 H new ATOM 0 HA GLN A 38 10.078 13.926 5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.400 16.184 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.160 14.475 4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.129 15.475 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.727 15.739 6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.841 13.288 7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.691 11.952 7.462 1.00 0.00 H new ATOM 549 N LYS A 39 11.858 14.210 4.005 1.00 0.00 N ATOM 550 CA LYS A 39 12.727 14.187 2.834 1.00 0.00 C ATOM 551 C LYS A 39 13.329 12.800 2.631 1.00 0.00 C ATOM 552 O LYS A 39 14.146 12.345 3.432 1.00 0.00 O ATOM 553 CB LYS A 39 13.844 15.223 2.981 1.00 0.00 C ATOM 554 CG LYS A 39 13.410 16.637 2.637 1.00 0.00 C ATOM 555 CD LYS A 39 14.605 17.556 2.444 1.00 0.00 C ATOM 556 CE LYS A 39 15.194 17.420 1.049 1.00 0.00 C ATOM 557 NZ LYS A 39 14.405 18.177 0.038 1.00 0.00 N ATOM 0 H LYS A 39 12.138 13.572 4.750 1.00 0.00 H new ATOM 0 HA LYS A 39 12.124 14.434 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.213 15.204 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.677 14.941 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.810 16.623 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.775 17.027 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.301 18.589 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.368 17.323 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.222 17.781 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.227 16.367 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.839 18.059 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.430 17.815 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.395 19.186 0.290 1.00 0.00 H new ATOM 571 N ILE A 40 12.922 12.136 1.555 1.00 0.00 N ATOM 572 CA ILE A 40 13.424 10.802 1.246 1.00 0.00 C ATOM 573 C ILE A 40 14.758 10.874 0.510 1.00 0.00 C ATOM 574 O ILE A 40 14.822 10.678 -0.704 1.00 0.00 O ATOM 575 CB ILE A 40 12.421 10.007 0.390 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.086 9.871 1.125 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.986 8.637 0.048 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.013 9.187 0.307 1.00 0.00 C ATOM 0 H ILE A 40 12.246 12.499 0.883 1.00 0.00 H new ATOM 0 HA ILE A 40 13.563 10.289 2.198 1.00 0.00 H new ATOM 0 HB ILE A 40 12.249 10.549 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.243 9.309 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.736 10.862 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.265 8.087 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.914 8.755 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.184 8.085 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.095 9.125 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.828 9.760 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.343 8.182 0.042 1.00 0.00 H new ATOM 590 N THR A 41 15.824 11.155 1.254 1.00 0.00 N ATOM 591 CA THR A 41 17.157 11.252 0.673 1.00 0.00 C ATOM 592 C THR A 41 17.949 9.969 0.897 1.00 0.00 C ATOM 593 O THR A 41 18.824 9.912 1.762 1.00 0.00 O ATOM 594 CB THR A 41 17.943 12.438 1.265 1.00 0.00 C ATOM 595 OG1 THR A 41 18.074 12.280 2.682 1.00 0.00 O ATOM 596 CG2 THR A 41 17.247 13.755 0.958 1.00 0.00 C ATOM 0 H THR A 41 15.789 11.319 2.260 1.00 0.00 H new ATOM 0 HA THR A 41 17.025 11.412 -0.397 1.00 0.00 H new ATOM 0 HB THR A 41 18.933 12.454 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.389 11.374 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.820 14.578 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.175 13.886 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.246 13.747 1.390 1.00 0.00 H new ATOM 604 N ASP A 42 17.638 8.942 0.114 1.00 0.00 N ATOM 605 CA ASP A 42 18.322 7.660 0.227 1.00 0.00 C ATOM 606 C ASP A 42 17.877 6.708 -0.879 1.00 0.00 C ATOM 607 O ASP A 42 16.899 6.967 -1.578 1.00 0.00 O ATOM 608 CB ASP A 42 18.054 7.033 1.596 1.00 0.00 C ATOM 609 CG ASP A 42 18.899 5.798 1.843 1.00 0.00 C ATOM 610 OD1 ASP A 42 20.116 5.950 2.077 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.343 4.680 1.800 1.00 0.00 O ATOM 0 H ASP A 42 16.916 8.973 -0.606 1.00 0.00 H new ATOM 0 HA ASP A 42 19.392 7.836 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.255 7.769 2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.999 6.769 1.671 1.00 0.00 H new ATOM 616 N SER A 43 18.604 5.605 -1.031 1.00 0.00 N ATOM 617 CA SER A 43 18.287 4.616 -2.055 1.00 0.00 C ATOM 618 C SER A 43 17.260 3.612 -1.540 1.00 0.00 C ATOM 619 O SER A 43 17.400 2.405 -1.744 1.00 0.00 O ATOM 620 CB SER A 43 19.556 3.884 -2.497 1.00 0.00 C ATOM 621 OG SER A 43 19.404 3.340 -3.797 1.00 0.00 O ATOM 0 H SER A 43 19.416 5.374 -0.458 1.00 0.00 H new ATOM 0 HA SER A 43 17.861 5.139 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.400 4.573 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.785 3.087 -1.790 1.00 0.00 H new ATOM 0 HG SER A 43 20.229 2.879 -4.057 1.00 0.00 H new ATOM 627 N ARG A 44 16.229 4.118 -0.873 1.00 0.00 N ATOM 628 CA ARG A 44 15.179 3.267 -0.328 1.00 0.00 C ATOM 629 C ARG A 44 13.925 3.327 -1.195 1.00 0.00 C ATOM 630 O ARG A 44 13.480 4.406 -1.587 1.00 0.00 O ATOM 631 CB ARG A 44 14.842 3.689 1.104 1.00 0.00 C ATOM 632 CG ARG A 44 13.971 4.932 1.183 1.00 0.00 C ATOM 633 CD ARG A 44 13.652 5.297 2.624 1.00 0.00 C ATOM 634 NE ARG A 44 14.670 6.168 3.207 1.00 0.00 N ATOM 635 CZ ARG A 44 14.646 6.585 4.468 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.661 6.213 5.274 1.00 0.00 N ATOM 637 NH2 ARG A 44 15.608 7.376 4.924 1.00 0.00 N ATOM 0 H ARG A 44 16.098 5.114 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 44 15.546 2.241 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.333 2.866 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.769 3.870 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.480 5.766 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.044 4.764 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.683 5.794 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.570 4.387 3.219 1.00 0.00 H new ATOM 0 HE ARG A 44 15.441 6.473 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.919 5.605 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.645 6.535 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.367 7.664 4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.589 7.696 5.892 1.00 0.00 H new ATOM 651 N TYR A 45 13.362 2.161 -1.493 1.00 0.00 N ATOM 652 CA TYR A 45 12.161 2.081 -2.317 1.00 0.00 C ATOM 653 C TYR A 45 10.996 1.494 -1.526 1.00 0.00 C ATOM 654 O TYR A 45 11.186 0.636 -0.663 1.00 0.00 O ATOM 655 CB TYR A 45 12.427 1.231 -3.561 1.00 0.00 C ATOM 656 CG TYR A 45 12.795 -0.202 -3.248 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.043 -0.521 -2.727 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.896 -1.236 -3.474 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.384 -1.829 -2.440 1.00 0.00 C ATOM 660 CE2 TYR A 45 12.227 -2.547 -3.189 1.00 0.00 C ATOM 661 CZ TYR A 45 13.473 -2.838 -2.673 1.00 0.00 C ATOM 662 OH TYR A 45 13.807 -4.142 -2.389 1.00 0.00 O ATOM 0 H TYR A 45 13.718 1.259 -1.177 1.00 0.00 H new ATOM 0 HA TYR A 45 11.894 3.092 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.539 1.239 -4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.233 1.687 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.759 0.267 -2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.921 -1.012 -3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.358 -2.060 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.515 -3.339 -3.369 1.00 0.00 H new ATOM 0 HH TYR A 45 13.053 -4.728 -2.610 1.00 0.00 H new ATOM 672 N TYR A 46 9.790 1.963 -1.827 1.00 0.00 N ATOM 673 CA TYR A 46 8.593 1.487 -1.144 1.00 0.00 C ATOM 674 C TYR A 46 7.839 0.479 -2.005 1.00 0.00 C ATOM 675 O TYR A 46 7.687 0.666 -3.213 1.00 0.00 O ATOM 676 CB TYR A 46 7.678 2.662 -0.795 1.00 0.00 C ATOM 677 CG TYR A 46 8.167 3.484 0.376 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.834 3.137 1.680 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.960 4.607 0.180 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.278 3.884 2.754 1.00 0.00 C ATOM 681 CE2 TYR A 46 9.410 5.360 1.247 1.00 0.00 C ATOM 682 CZ TYR A 46 9.066 4.995 2.532 1.00 0.00 C ATOM 683 OH TYR A 46 9.510 5.743 3.598 1.00 0.00 O ATOM 0 H TYR A 46 9.616 2.672 -2.539 1.00 0.00 H new ATOM 0 HA TYR A 46 8.903 0.991 -0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.583 3.309 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.682 2.281 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.217 2.268 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.230 4.897 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.010 3.600 3.761 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.028 6.229 1.076 1.00 0.00 H new ATOM 0 HH TYR A 46 10.054 6.490 3.270 1.00 0.00 H new ATOM 693 N THR A 47 7.367 -0.592 -1.375 1.00 0.00 N ATOM 694 CA THR A 47 6.629 -1.632 -2.081 1.00 0.00 C ATOM 695 C THR A 47 5.183 -1.701 -1.603 1.00 0.00 C ATOM 696 O THR A 47 4.914 -2.051 -0.454 1.00 0.00 O ATOM 697 CB THR A 47 7.285 -3.013 -1.895 1.00 0.00 C ATOM 698 OG1 THR A 47 8.665 -2.954 -2.272 1.00 0.00 O ATOM 699 CG2 THR A 47 6.571 -4.068 -2.727 1.00 0.00 C ATOM 0 H THR A 47 7.483 -0.762 -0.376 1.00 0.00 H new ATOM 0 HA THR A 47 6.648 -1.369 -3.139 1.00 0.00 H new ATOM 0 HB THR A 47 7.207 -3.289 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.076 -3.835 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.052 -5.035 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.528 -4.131 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.621 -3.795 -3.781 1.00 0.00 H new ATOM 707 N VAL A 48 4.254 -1.364 -2.492 1.00 0.00 N ATOM 708 CA VAL A 48 2.834 -1.390 -2.162 1.00 0.00 C ATOM 709 C VAL A 48 2.135 -2.569 -2.830 1.00 0.00 C ATOM 710 O VAL A 48 2.020 -2.622 -4.054 1.00 0.00 O ATOM 711 CB VAL A 48 2.135 -0.085 -2.587 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.652 -0.139 -2.252 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.796 1.114 -1.924 1.00 0.00 C ATOM 0 H VAL A 48 4.459 -1.070 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 48 2.763 -1.496 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 48 2.235 0.025 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.175 0.792 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.190 -0.974 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.526 -0.273 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.289 2.027 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.729 1.013 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.844 1.162 -2.220 1.00 0.00 H new ATOM 723 N ARG A 49 1.670 -3.512 -2.017 1.00 0.00 N ATOM 724 CA ARG A 49 0.982 -4.691 -2.529 1.00 0.00 C ATOM 725 C ARG A 49 -0.529 -4.547 -2.381 1.00 0.00 C ATOM 726 O ARG A 49 -1.011 -3.856 -1.483 1.00 0.00 O ATOM 727 CB ARG A 49 1.460 -5.945 -1.795 1.00 0.00 C ATOM 728 CG ARG A 49 0.966 -6.037 -0.361 1.00 0.00 C ATOM 729 CD ARG A 49 1.467 -7.300 0.322 1.00 0.00 C ATOM 730 NE ARG A 49 1.174 -7.303 1.752 1.00 0.00 N ATOM 731 CZ ARG A 49 1.215 -8.393 2.509 1.00 0.00 C ATOM 732 NH1 ARG A 49 1.535 -9.564 1.974 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.936 -8.315 3.804 1.00 0.00 N ATOM 0 H ARG A 49 1.757 -3.482 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 49 1.218 -4.786 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.125 -6.826 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.550 -5.963 -1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.302 -5.163 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.124 -6.024 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.006 -8.171 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.543 -7.390 0.172 1.00 0.00 H new ATOM 0 HE ARG A 49 0.924 -6.419 2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.750 -9.628 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.566 -10.400 2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.690 -7.417 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.968 -9.153 4.384 1.00 0.00 H new ATOM 747 N TRP A 50 -1.271 -5.202 -3.266 1.00 0.00 N ATOM 748 CA TRP A 50 -2.728 -5.146 -3.234 1.00 0.00 C ATOM 749 C TRP A 50 -3.334 -6.464 -3.702 1.00 0.00 C ATOM 750 O TRP A 50 -2.918 -7.025 -4.716 1.00 0.00 O ATOM 751 CB TRP A 50 -3.234 -3.998 -4.109 1.00 0.00 C ATOM 752 CG TRP A 50 -2.884 -4.157 -5.558 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.668 -4.701 -6.535 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.660 -3.770 -6.191 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.005 -4.675 -7.738 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.771 -4.108 -7.554 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.482 -3.170 -5.740 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.748 -3.866 -8.467 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.533 -2.930 -6.647 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.395 -3.277 -7.998 1.00 0.00 C ATOM 0 H TRP A 50 -0.888 -5.778 -4.015 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.038 -4.972 -2.204 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.317 -3.925 -4.010 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.817 -3.060 -3.743 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.663 -5.094 -6.384 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.372 -5.022 -8.624 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.366 -2.898 -4.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.853 -4.134 -9.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.448 -2.467 -6.309 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.206 -3.076 -8.682 1.00 0.00 H new ATOM 771 N LYS A 51 -4.319 -6.955 -2.958 1.00 0.00 N ATOM 772 CA LYS A 51 -4.984 -8.207 -3.298 1.00 0.00 C ATOM 773 C LYS A 51 -6.474 -8.137 -2.976 1.00 0.00 C ATOM 774 O LYS A 51 -6.901 -7.352 -2.129 1.00 0.00 O ATOM 775 CB LYS A 51 -4.343 -9.371 -2.539 1.00 0.00 C ATOM 776 CG LYS A 51 -4.740 -9.435 -1.074 1.00 0.00 C ATOM 777 CD LYS A 51 -5.999 -10.262 -0.873 1.00 0.00 C ATOM 778 CE LYS A 51 -5.673 -11.734 -0.676 1.00 0.00 C ATOM 779 NZ LYS A 51 -5.268 -12.030 0.726 1.00 0.00 N ATOM 0 H LYS A 51 -4.675 -6.504 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.868 -8.371 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.622 -10.307 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.259 -9.286 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.924 -9.866 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.902 -8.426 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.545 -9.890 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.654 -10.146 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.543 -12.337 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.870 -12.022 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.397 -13.044 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.268 -11.777 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.855 -11.476 1.381 1.00 0.00 H new ATOM 793 N THR A 52 -7.261 -8.963 -3.658 1.00 0.00 N ATOM 794 CA THR A 52 -8.703 -8.994 -3.445 1.00 0.00 C ATOM 795 C THR A 52 -9.067 -9.910 -2.282 1.00 0.00 C ATOM 796 O THR A 52 -8.629 -11.058 -2.224 1.00 0.00 O ATOM 797 CB THR A 52 -9.447 -9.466 -4.708 1.00 0.00 C ATOM 798 OG1 THR A 52 -9.084 -10.817 -5.015 1.00 0.00 O ATOM 799 CG2 THR A 52 -9.126 -8.568 -5.893 1.00 0.00 C ATOM 0 H THR A 52 -6.924 -9.619 -4.362 1.00 0.00 H new ATOM 0 HA THR A 52 -9.010 -7.975 -3.211 1.00 0.00 H new ATOM 0 HB THR A 52 -10.518 -9.414 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.830 -11.283 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.663 -8.921 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.431 -7.546 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.054 -8.592 -6.088 1.00 0.00 H new ATOM 807 N ASN A 53 -9.872 -9.395 -1.359 1.00 0.00 N ATOM 808 CA ASN A 53 -10.295 -10.168 -0.197 1.00 0.00 C ATOM 809 C ASN A 53 -10.964 -11.471 -0.624 1.00 0.00 C ATOM 810 O ASN A 53 -10.796 -12.507 0.019 1.00 0.00 O ATOM 811 CB ASN A 53 -11.257 -9.347 0.665 1.00 0.00 C ATOM 812 CG ASN A 53 -11.541 -10.006 2.001 1.00 0.00 C ATOM 813 OD1 ASN A 53 -11.994 -11.149 2.058 1.00 0.00 O ATOM 814 ND2 ASN A 53 -11.277 -9.285 3.085 1.00 0.00 N ATOM 0 H ASN A 53 -10.245 -8.446 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.408 -10.410 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.834 -8.357 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.194 -9.206 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.449 -9.675 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.902 -8.341 2.991 1.00 0.00 H new ATOM 821 N ILE A 54 -11.722 -11.410 -1.714 1.00 0.00 N ATOM 822 CA ILE A 54 -12.415 -12.585 -2.228 1.00 0.00 C ATOM 823 C ILE A 54 -11.992 -12.890 -3.661 1.00 0.00 C ATOM 824 O ILE A 54 -11.986 -12.019 -4.532 1.00 0.00 O ATOM 825 CB ILE A 54 -13.944 -12.402 -2.184 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.381 -11.918 -0.801 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.644 -13.705 -2.542 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.231 -10.425 -0.607 1.00 0.00 C ATOM 0 H ILE A 54 -11.872 -10.560 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.139 -13.420 -1.584 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.227 -11.648 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.423 -12.194 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.794 -12.435 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.724 -13.560 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.352 -14.011 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.359 -14.479 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.560 -10.154 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -13.185 -10.145 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -14.840 -9.900 -1.343 1.00 0.00 H new ATOM 840 N PRO A 55 -11.629 -14.156 -3.915 1.00 0.00 N ATOM 841 CA PRO A 55 -11.631 -15.201 -2.887 1.00 0.00 C ATOM 842 C PRO A 55 -10.536 -14.993 -1.847 1.00 0.00 C ATOM 843 O PRO A 55 -9.795 -14.011 -1.899 1.00 0.00 O ATOM 844 CB PRO A 55 -11.375 -16.483 -3.684 1.00 0.00 C ATOM 845 CG PRO A 55 -10.650 -16.031 -4.904 1.00 0.00 C ATOM 846 CD PRO A 55 -11.189 -14.665 -5.225 1.00 0.00 C ATOM 0 HA PRO A 55 -12.562 -15.214 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.780 -17.194 -3.110 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.309 -16.983 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.575 -15.995 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.814 -16.720 -5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.426 -14.026 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.015 -14.715 -5.935 1.00 0.00 H new ATOM 854 N ALA A 56 -10.438 -15.923 -0.902 1.00 0.00 N ATOM 855 CA ALA A 56 -9.431 -15.842 0.148 1.00 0.00 C ATOM 856 C ALA A 56 -8.028 -16.017 -0.421 1.00 0.00 C ATOM 857 O ALA A 56 -7.216 -15.093 -0.392 1.00 0.00 O ATOM 858 CB ALA A 56 -9.702 -16.887 1.220 1.00 0.00 C ATOM 0 H ALA A 56 -11.044 -16.741 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.490 -14.851 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.942 -16.815 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.686 -16.714 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.672 -17.881 0.775 1.00 0.00 H new ATOM 864 N ASN A 57 -7.749 -17.208 -0.940 1.00 0.00 N ATOM 865 CA ASN A 57 -6.442 -17.504 -1.515 1.00 0.00 C ATOM 866 C ASN A 57 -6.308 -16.892 -2.906 1.00 0.00 C ATOM 867 O ASN A 57 -6.603 -17.537 -3.913 1.00 0.00 O ATOM 868 CB ASN A 57 -6.225 -19.017 -1.589 1.00 0.00 C ATOM 869 CG ASN A 57 -6.519 -19.708 -0.272 1.00 0.00 C ATOM 870 OD1 ASN A 57 -7.586 -19.524 0.314 1.00 0.00 O ATOM 871 ND2 ASN A 57 -5.571 -20.510 0.200 1.00 0.00 N ATOM 0 H ASN A 57 -8.410 -17.984 -0.974 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.681 -17.065 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.864 -19.435 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.194 -19.220 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.712 -21.003 1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.702 -20.633 -0.319 1.00 0.00 H new ATOM 878 N THR A 58 -5.862 -15.640 -2.955 1.00 0.00 N ATOM 879 CA THR A 58 -5.689 -14.940 -4.222 1.00 0.00 C ATOM 880 C THR A 58 -4.281 -14.369 -4.347 1.00 0.00 C ATOM 881 O THR A 58 -3.723 -13.846 -3.383 1.00 0.00 O ATOM 882 CB THR A 58 -6.710 -13.796 -4.374 1.00 0.00 C ATOM 883 OG1 THR A 58 -8.019 -14.257 -4.022 1.00 0.00 O ATOM 884 CG2 THR A 58 -6.719 -13.265 -5.800 1.00 0.00 C ATOM 0 H THR A 58 -5.614 -15.091 -2.132 1.00 0.00 H new ATOM 0 HA THR A 58 -5.853 -15.672 -5.013 1.00 0.00 H new ATOM 0 HB THR A 58 -6.419 -12.987 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.255 -13.924 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.447 -12.458 -5.883 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.729 -12.887 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.988 -14.069 -6.486 1.00 0.00 H new ATOM 892 N LYS A 59 -3.711 -14.473 -5.543 1.00 0.00 N ATOM 893 CA LYS A 59 -2.368 -13.966 -5.797 1.00 0.00 C ATOM 894 C LYS A 59 -2.195 -12.566 -5.215 1.00 0.00 C ATOM 895 O LYS A 59 -3.159 -11.949 -4.761 1.00 0.00 O ATOM 896 CB LYS A 59 -2.085 -13.943 -7.301 1.00 0.00 C ATOM 897 CG LYS A 59 -2.780 -12.808 -8.033 1.00 0.00 C ATOM 898 CD LYS A 59 -4.144 -13.231 -8.552 1.00 0.00 C ATOM 899 CE LYS A 59 -4.049 -13.826 -9.948 1.00 0.00 C ATOM 900 NZ LYS A 59 -5.393 -14.109 -10.523 1.00 0.00 N ATOM 0 H LYS A 59 -4.159 -14.904 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.657 -14.633 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.010 -13.861 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.400 -14.892 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.893 -11.957 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.159 -12.477 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.582 -13.962 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.812 -12.370 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.513 -13.137 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.468 -14.748 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.285 -14.514 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.896 -14.786 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.938 -13.225 -10.582 1.00 0.00 H new ATOM 914 N TYR A 60 -0.963 -12.071 -5.232 1.00 0.00 N ATOM 915 CA TYR A 60 -0.665 -10.744 -4.705 1.00 0.00 C ATOM 916 C TYR A 60 -0.037 -9.860 -5.779 1.00 0.00 C ATOM 917 O TYR A 60 0.249 -10.315 -6.886 1.00 0.00 O ATOM 918 CB TYR A 60 0.274 -10.850 -3.502 1.00 0.00 C ATOM 919 CG TYR A 60 -0.448 -10.994 -2.182 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.917 -12.230 -1.755 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.661 -9.894 -1.360 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.578 -12.367 -0.550 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.319 -10.021 -0.152 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.776 -11.259 0.248 1.00 0.00 C ATOM 925 OH TYR A 60 -2.433 -11.391 1.450 1.00 0.00 O ATOM 0 H TYR A 60 -0.154 -12.568 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.602 -10.287 -4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.934 -11.706 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.906 -9.963 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.762 -13.100 -2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.306 -8.923 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.938 -13.335 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.475 -9.156 0.475 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.489 -10.517 1.890 1.00 0.00 H new ATOM 935 N LYS A 61 0.175 -8.593 -5.442 1.00 0.00 N ATOM 936 CA LYS A 61 0.770 -7.642 -6.374 1.00 0.00 C ATOM 937 C LYS A 61 1.788 -6.753 -5.667 1.00 0.00 C ATOM 938 O LYS A 61 1.942 -6.817 -4.448 1.00 0.00 O ATOM 939 CB LYS A 61 -0.317 -6.779 -7.018 1.00 0.00 C ATOM 940 CG LYS A 61 -1.131 -7.512 -8.071 1.00 0.00 C ATOM 941 CD LYS A 61 -0.516 -7.366 -9.453 1.00 0.00 C ATOM 942 CE LYS A 61 0.473 -8.485 -9.744 1.00 0.00 C ATOM 943 NZ LYS A 61 0.762 -8.605 -11.200 1.00 0.00 N ATOM 0 H LYS A 61 -0.056 -8.200 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 61 1.284 -8.206 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.988 -6.415 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.147 -5.904 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.197 -8.568 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.149 -7.122 -8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.304 -7.371 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.010 -6.403 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.401 -8.299 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.073 -9.429 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.440 -9.378 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.119 -8.808 -11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.168 -7.713 -11.548 1.00 0.00 H new ATOM 957 N ASN A 62 2.479 -5.922 -6.441 1.00 0.00 N ATOM 958 CA ASN A 62 3.482 -5.018 -5.888 1.00 0.00 C ATOM 959 C ASN A 62 3.765 -3.867 -6.849 1.00 0.00 C ATOM 960 O ASN A 62 3.890 -4.069 -8.056 1.00 0.00 O ATOM 961 CB ASN A 62 4.776 -5.779 -5.591 1.00 0.00 C ATOM 962 CG ASN A 62 5.316 -6.499 -6.811 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.059 -5.924 -7.607 1.00 0.00 O ATOM 964 ND2 ASN A 62 4.945 -7.765 -6.964 1.00 0.00 N ATOM 0 H ASN A 62 2.363 -5.856 -7.452 1.00 0.00 H new ATOM 0 HA ASN A 62 3.090 -4.604 -4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.528 -5.082 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.595 -6.502 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.277 -8.301 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.328 -8.202 -6.280 1.00 0.00 H new ATOM 971 N ALA A 63 3.865 -2.660 -6.303 1.00 0.00 N ATOM 972 CA ALA A 63 4.136 -1.476 -7.110 1.00 0.00 C ATOM 973 C ALA A 63 5.407 -0.774 -6.646 1.00 0.00 C ATOM 974 O ALA A 63 5.553 -0.450 -5.468 1.00 0.00 O ATOM 975 CB ALA A 63 2.953 -0.520 -7.059 1.00 0.00 C ATOM 0 H ALA A 63 3.762 -2.476 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 63 4.286 -1.796 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.169 0.359 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.065 -1.019 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.776 -0.215 -6.028 1.00 0.00 H new ATOM 981 N ASN A 64 6.325 -0.543 -7.579 1.00 0.00 N ATOM 982 CA ASN A 64 7.585 0.120 -7.264 1.00 0.00 C ATOM 983 C ASN A 64 7.445 1.635 -7.374 1.00 0.00 C ATOM 984 O ASN A 64 7.257 2.174 -8.464 1.00 0.00 O ATOM 985 CB ASN A 64 8.691 -0.371 -8.201 1.00 0.00 C ATOM 986 CG ASN A 64 8.372 -0.107 -9.660 1.00 0.00 C ATOM 987 OD1 ASN A 64 7.226 -0.241 -10.090 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.387 0.269 -10.429 1.00 0.00 N ATOM 0 H ASN A 64 6.220 -0.805 -8.559 1.00 0.00 H new ATOM 0 HA ASN A 64 7.851 -0.128 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.628 0.122 -7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.841 -1.440 -8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.233 0.460 -11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.320 0.367 -10.030 1.00 0.00 H new ATOM 995 N ALA A 65 7.538 2.316 -6.237 1.00 0.00 N ATOM 996 CA ALA A 65 7.425 3.769 -6.205 1.00 0.00 C ATOM 997 C ALA A 65 8.028 4.339 -4.926 1.00 0.00 C ATOM 998 O ALA A 65 7.533 4.086 -3.827 1.00 0.00 O ATOM 999 CB ALA A 65 5.968 4.188 -6.336 1.00 0.00 C ATOM 0 H ALA A 65 7.691 1.885 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 65 7.985 4.171 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.898 5.275 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.567 3.821 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.393 3.768 -5.511 1.00 0.00 H new ATOM 1005 N THR A 66 9.101 5.110 -5.075 1.00 0.00 N ATOM 1006 CA THR A 66 9.772 5.715 -3.931 1.00 0.00 C ATOM 1007 C THR A 66 9.125 7.042 -3.552 1.00 0.00 C ATOM 1008 O THR A 66 9.428 8.082 -4.138 1.00 0.00 O ATOM 1009 CB THR A 66 11.268 5.948 -4.217 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.427 7.037 -5.134 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.911 4.696 -4.793 1.00 0.00 C ATOM 0 H THR A 66 9.524 5.330 -5.977 1.00 0.00 H new ATOM 0 HA THR A 66 9.673 5.016 -3.100 1.00 0.00 H new ATOM 0 HB THR A 66 11.762 6.190 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.609 7.577 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.967 4.885 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.814 3.877 -4.081 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.414 4.427 -5.725 1.00 0.00 H new ATOM 1019 N THR A 67 8.233 7.000 -2.567 1.00 0.00 N ATOM 1020 CA THR A 67 7.543 8.199 -2.109 1.00 0.00 C ATOM 1021 C THR A 67 6.666 7.901 -0.899 1.00 0.00 C ATOM 1022 O THR A 67 6.487 6.743 -0.519 1.00 0.00 O ATOM 1023 CB THR A 67 6.671 8.805 -3.225 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.649 9.631 -2.654 1.00 0.00 O ATOM 1025 CG2 THR A 67 6.033 7.711 -4.068 1.00 0.00 C ATOM 0 H THR A 67 7.972 6.148 -2.071 1.00 0.00 H new ATOM 0 HA THR A 67 8.312 8.918 -1.827 1.00 0.00 H new ATOM 0 HB THR A 67 7.311 9.410 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.100 10.014 -3.370 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.422 8.163 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.813 7.102 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.406 7.083 -3.435 1.00 0.00 H new ATOM 1033 N LEU A 68 6.120 8.952 -0.297 1.00 0.00 N ATOM 1034 CA LEU A 68 5.260 8.802 0.872 1.00 0.00 C ATOM 1035 C LEU A 68 3.790 8.769 0.465 1.00 0.00 C ATOM 1036 O LEU A 68 2.905 9.051 1.273 1.00 0.00 O ATOM 1037 CB LEU A 68 5.502 9.946 1.858 1.00 0.00 C ATOM 1038 CG LEU A 68 6.707 9.787 2.786 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.183 11.144 3.279 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.361 8.883 3.960 1.00 0.00 C ATOM 0 H LEU A 68 6.257 9.917 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 68 5.506 7.856 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.625 10.869 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.609 10.065 2.472 1.00 0.00 H new ATOM 0 HG LEU A 68 7.516 9.323 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.041 11.011 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.472 11.760 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.378 11.635 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.230 8.781 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.536 9.318 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.069 7.901 3.589 1.00 0.00 H new ATOM 1052 N SER A 69 3.537 8.422 -0.793 1.00 0.00 N ATOM 1053 CA SER A 69 2.174 8.354 -1.308 1.00 0.00 C ATOM 1054 C SER A 69 2.139 7.647 -2.659 1.00 0.00 C ATOM 1055 O SER A 69 2.941 7.939 -3.547 1.00 0.00 O ATOM 1056 CB SER A 69 1.585 9.760 -1.440 1.00 0.00 C ATOM 1057 OG SER A 69 2.458 10.613 -2.159 1.00 0.00 O ATOM 0 H SER A 69 4.258 8.184 -1.474 1.00 0.00 H new ATOM 0 HA SER A 69 1.573 7.781 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.622 9.708 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.401 10.175 -0.449 1.00 0.00 H new ATOM 0 HG SER A 69 2.058 11.505 -2.231 1.00 0.00 H new ATOM 1063 N TYR A 70 1.204 6.715 -2.808 1.00 0.00 N ATOM 1064 CA TYR A 70 1.064 5.964 -4.050 1.00 0.00 C ATOM 1065 C TYR A 70 -0.406 5.797 -4.423 1.00 0.00 C ATOM 1066 O TYR A 70 -1.239 5.464 -3.580 1.00 0.00 O ATOM 1067 CB TYR A 70 1.727 4.592 -3.917 1.00 0.00 C ATOM 1068 CG TYR A 70 1.258 3.591 -4.949 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.117 3.952 -6.283 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.957 2.283 -4.589 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.688 3.041 -7.228 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.529 1.364 -5.528 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.396 1.748 -6.846 1.00 0.00 C ATOM 1074 OH TYR A 70 -0.030 0.837 -7.785 1.00 0.00 O ATOM 0 H TYR A 70 0.532 6.462 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 70 1.559 6.525 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.807 4.710 -4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.527 4.196 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.347 4.963 -6.586 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.059 1.979 -3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.582 3.339 -8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.300 0.351 -5.232 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.192 -0.027 -7.352 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.716 6.031 -5.694 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.085 5.906 -6.182 1.00 0.00 C ATOM 1086 C LEU A 71 -2.230 4.691 -7.093 1.00 0.00 C ATOM 1087 O LEU A 71 -1.534 4.571 -8.101 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.497 7.173 -6.934 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.752 7.062 -7.800 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -5.000 7.292 -6.962 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -3.692 8.051 -8.955 1.00 0.00 C ATOM 0 H LEU A 71 -0.038 6.308 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.740 5.772 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.652 7.969 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.667 7.480 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.798 6.054 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.884 7.209 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.049 6.545 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.963 8.287 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.593 7.958 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.622 9.065 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.818 7.839 -9.570 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.141 3.793 -6.732 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.380 2.588 -7.518 1.00 0.00 C ATOM 1105 C VAL A 72 -4.472 2.818 -8.557 1.00 0.00 C ATOM 1106 O VAL A 72 -5.468 3.492 -8.289 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.782 1.403 -6.620 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.907 0.129 -7.442 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.776 1.223 -5.494 1.00 0.00 C ATOM 0 H VAL A 72 -3.726 3.877 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.445 2.349 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.754 1.619 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.192 -0.698 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.668 0.265 -8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.951 -0.094 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.076 0.381 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.789 1.029 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.741 2.129 -4.889 1.00 0.00 H new ATOM 1119 N THR A 73 -4.280 2.253 -9.744 1.00 0.00 N ATOM 1120 CA THR A 73 -5.248 2.396 -10.825 1.00 0.00 C ATOM 1121 C THR A 73 -5.375 1.104 -11.623 1.00 0.00 C ATOM 1122 O THR A 73 -4.395 0.389 -11.827 1.00 0.00 O ATOM 1123 CB THR A 73 -4.858 3.540 -11.780 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.489 3.404 -12.174 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.068 4.893 -11.117 1.00 0.00 C ATOM 0 H THR A 73 -3.462 1.691 -9.982 1.00 0.00 H new ATOM 0 HA THR A 73 -6.207 2.630 -10.362 1.00 0.00 H new ATOM 0 HB THR A 73 -5.497 3.482 -12.661 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.250 4.134 -12.782 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.786 5.686 -11.810 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.117 5.006 -10.844 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.451 4.959 -10.221 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.591 0.810 -12.075 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.824 -0.396 -12.847 1.00 0.00 C ATOM 1135 C GLY A 74 -7.334 -1.541 -11.995 1.00 0.00 C ATOM 1136 O GLY A 74 -6.791 -2.646 -12.037 1.00 0.00 O ATOM 0 H GLY A 74 -7.418 1.386 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.546 -0.185 -13.636 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.897 -0.696 -13.335 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.378 -1.278 -11.217 1.00 0.00 N ATOM 1141 CA LEU A 75 -8.961 -2.295 -10.349 1.00 0.00 C ATOM 1142 C LEU A 75 -10.375 -2.648 -10.797 1.00 0.00 C ATOM 1143 O LEU A 75 -10.970 -1.952 -11.619 1.00 0.00 O ATOM 1144 CB LEU A 75 -8.979 -1.806 -8.899 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.625 -1.418 -8.305 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.802 -0.379 -7.208 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.907 -2.647 -7.767 1.00 0.00 C ATOM 0 H LEU A 75 -8.838 -0.369 -11.169 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.345 -3.192 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.642 -0.943 -8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.415 -2.589 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.014 -0.982 -9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.828 -0.115 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.274 0.511 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.431 -0.788 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.945 -2.352 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.514 -3.112 -6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.747 -3.359 -8.577 1.00 0.00 H new ATOM 1159 N LYS A 76 -10.910 -3.734 -10.248 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.257 -4.179 -10.588 1.00 0.00 C ATOM 1161 C LYS A 76 -13.291 -3.533 -9.670 1.00 0.00 C ATOM 1162 O LYS A 76 -13.082 -3.387 -8.466 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.353 -5.703 -10.489 1.00 0.00 C ATOM 1164 CG LYS A 76 -13.450 -6.301 -11.352 1.00 0.00 C ATOM 1165 CD LYS A 76 -13.393 -7.819 -11.354 1.00 0.00 C ATOM 1166 CE LYS A 76 -14.002 -8.398 -12.622 1.00 0.00 C ATOM 1167 NZ LYS A 76 -13.045 -8.366 -13.762 1.00 0.00 N ATOM 0 H LYS A 76 -10.431 -4.322 -9.566 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.466 -3.874 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.397 -6.138 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.528 -5.981 -9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.422 -5.973 -10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.353 -5.931 -12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.357 -8.145 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.925 -8.205 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.314 -9.426 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.898 -7.835 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.498 -8.769 -14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.767 -7.383 -13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.201 -8.924 -13.522 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.434 -3.139 -10.251 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.523 -2.505 -9.503 1.00 0.00 C ATOM 1183 C PRO A 77 -16.223 -3.478 -8.561 1.00 0.00 C ATOM 1184 O PRO A 77 -16.156 -4.692 -8.746 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.483 -2.039 -10.601 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.216 -2.950 -11.749 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.751 -3.282 -11.682 1.00 0.00 C ATOM 0 HA PRO A 77 -15.163 -1.700 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.521 -2.107 -10.275 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.301 -0.999 -10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.824 -3.852 -11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.464 -2.469 -12.695 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.551 -4.292 -12.039 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.157 -2.604 -12.295 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.895 -2.936 -7.550 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.607 -3.758 -6.578 1.00 0.00 C ATOM 1197 C ASN A 78 -16.784 -4.985 -6.195 1.00 0.00 C ATOM 1198 O ASN A 78 -17.261 -6.117 -6.277 1.00 0.00 O ATOM 1199 CB ASN A 78 -18.961 -4.194 -7.142 1.00 0.00 C ATOM 1200 CG ASN A 78 -18.842 -4.795 -8.530 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.093 -4.125 -9.532 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -18.458 -6.064 -8.594 1.00 0.00 N ATOM 0 H ASN A 78 -16.961 -1.932 -7.383 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.770 -3.158 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.413 -4.924 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.631 -3.335 -7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -18.360 -6.522 -9.500 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -18.260 -6.581 -7.737 1.00 0.00 H new ATOM 1209 N THR A 79 -15.544 -4.752 -5.776 1.00 0.00 N ATOM 1210 CA THR A 79 -14.654 -5.836 -5.381 1.00 0.00 C ATOM 1211 C THR A 79 -13.684 -5.384 -4.297 1.00 0.00 C ATOM 1212 O THR A 79 -12.904 -4.451 -4.496 1.00 0.00 O ATOM 1213 CB THR A 79 -13.851 -6.370 -6.583 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.744 -6.847 -7.596 1.00 0.00 O ATOM 1215 CG2 THR A 79 -12.917 -7.491 -6.154 1.00 0.00 C ATOM 0 H THR A 79 -15.133 -3.821 -5.702 1.00 0.00 H new ATOM 0 HA THR A 79 -15.284 -6.635 -4.990 1.00 0.00 H new ATOM 0 HB THR A 79 -13.252 -5.553 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.182 -6.086 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.361 -7.852 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.220 -7.117 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.500 -8.309 -5.731 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.735 -6.049 -3.148 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.859 -5.716 -2.030 1.00 0.00 C ATOM 1225 C LEU A 80 -11.393 -5.798 -2.444 1.00 0.00 C ATOM 1226 O LEU A 80 -10.967 -6.771 -3.066 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.122 -6.656 -0.853 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.854 -6.080 0.538 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -13.239 -7.084 1.615 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -11.392 -5.681 0.678 1.00 0.00 C ATOM 0 H LEU A 80 -14.374 -6.823 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.074 -4.692 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.162 -6.978 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.507 -7.547 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.467 -5.188 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.041 -6.657 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.299 -7.321 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.652 -7.994 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.220 -5.273 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.760 -6.557 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.147 -4.927 -0.070 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.627 -4.771 -2.093 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.208 -4.727 -2.428 1.00 0.00 C ATOM 1244 C TYR A 81 -8.378 -4.288 -1.226 1.00 0.00 C ATOM 1245 O TYR A 81 -8.791 -3.421 -0.456 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.970 -3.776 -3.602 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.046 -4.450 -4.953 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -7.983 -5.203 -5.436 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.180 -4.332 -5.747 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.048 -5.821 -6.670 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.254 -4.947 -6.982 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.185 -5.690 -7.439 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.255 -6.303 -8.669 1.00 0.00 O ATOM 0 H TYR A 81 -10.964 -3.958 -1.577 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.896 -5.732 -2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.707 -2.974 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.989 -3.314 -3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.091 -5.307 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.018 -3.750 -5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.213 -6.403 -7.030 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.144 -4.847 -7.586 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.186 -6.319 -8.974 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.204 -4.893 -1.073 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.315 -4.565 0.036 1.00 0.00 C ATOM 1265 C GLU A 82 -5.148 -3.704 -0.440 1.00 0.00 C ATOM 1266 O GLU A 82 -4.773 -3.740 -1.611 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.787 -5.843 0.690 1.00 0.00 C ATOM 1268 CG GLU A 82 -4.435 -5.669 1.361 1.00 0.00 C ATOM 1269 CD GLU A 82 -3.293 -5.615 0.366 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -3.292 -6.427 -0.583 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -2.399 -4.758 0.535 1.00 0.00 O ATOM 0 H GLU A 82 -6.847 -5.612 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.886 -3.999 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.509 -6.187 1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.710 -6.623 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.442 -4.752 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.269 -6.493 2.055 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.579 -2.931 0.479 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.456 -2.059 0.155 1.00 0.00 C ATOM 1280 C PHE A 83 -2.512 -1.923 1.346 1.00 0.00 C ATOM 1281 O PHE A 83 -2.911 -1.477 2.421 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.961 -0.678 -0.270 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.864 -0.713 -1.469 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.337 -0.719 -2.751 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.241 -0.741 -1.316 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.166 -0.751 -3.856 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.075 -0.772 -2.417 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.537 -0.778 -3.689 1.00 0.00 C ATOM 0 H PHE A 83 -4.877 -2.891 1.454 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.907 -2.508 -0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.495 -0.223 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.106 -0.038 -0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.266 -0.698 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.668 -0.739 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.742 -0.755 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.146 -0.792 -2.283 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.187 -0.804 -4.551 1.00 0.00 H new ATOM 1298 N SER A 84 -1.256 -2.312 1.145 1.00 0.00 N ATOM 1299 CA SER A 84 -0.255 -2.239 2.202 1.00 0.00 C ATOM 1300 C SER A 84 0.999 -1.519 1.714 1.00 0.00 C ATOM 1301 O SER A 84 1.221 -1.381 0.511 1.00 0.00 O ATOM 1302 CB SER A 84 0.106 -3.643 2.690 1.00 0.00 C ATOM 1303 OG SER A 84 -1.033 -4.314 3.201 1.00 0.00 O ATOM 0 H SER A 84 -0.908 -2.681 0.260 1.00 0.00 H new ATOM 0 HA SER A 84 -0.679 -1.672 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.533 -4.218 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.871 -3.577 3.464 1.00 0.00 H new ATOM 0 HG SER A 84 -1.631 -4.553 2.462 1.00 0.00 H new ATOM 1309 N VAL A 85 1.816 -1.062 2.658 1.00 0.00 N ATOM 1310 CA VAL A 85 3.049 -0.358 2.325 1.00 0.00 C ATOM 1311 C VAL A 85 4.213 -0.857 3.174 1.00 0.00 C ATOM 1312 O VAL A 85 4.068 -1.079 4.376 1.00 0.00 O ATOM 1313 CB VAL A 85 2.897 1.162 2.525 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.116 1.895 1.985 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.625 1.662 1.857 1.00 0.00 C ATOM 0 H VAL A 85 1.647 -1.167 3.658 1.00 0.00 H new ATOM 0 HA VAL A 85 3.257 -0.561 1.274 1.00 0.00 H new ATOM 0 HB VAL A 85 2.823 1.366 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.991 2.967 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.008 1.556 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.223 1.687 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.533 2.738 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.666 1.448 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.762 1.159 2.295 1.00 0.00 H new ATOM 1325 N MET A 86 5.368 -1.031 2.540 1.00 0.00 N ATOM 1326 CA MET A 86 6.558 -1.503 3.238 1.00 0.00 C ATOM 1327 C MET A 86 7.814 -0.839 2.681 1.00 0.00 C ATOM 1328 O MET A 86 7.842 -0.413 1.526 1.00 0.00 O ATOM 1329 CB MET A 86 6.676 -3.024 3.119 1.00 0.00 C ATOM 1330 CG MET A 86 7.068 -3.496 1.728 1.00 0.00 C ATOM 1331 SD MET A 86 7.390 -5.269 1.662 1.00 0.00 S ATOM 1332 CE MET A 86 9.127 -5.315 2.095 1.00 0.00 C ATOM 0 H MET A 86 5.505 -0.852 1.545 1.00 0.00 H new ATOM 0 HA MET A 86 6.462 -1.235 4.290 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.415 -3.380 3.836 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.723 -3.477 3.392 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.271 -3.249 1.027 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.958 -2.957 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.676 -5.875 1.338 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.516 -4.298 2.148 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.248 -5.800 3.063 1.00 0.00 H new ATOM 1342 N VAL A 87 8.850 -0.754 3.509 1.00 0.00 N ATOM 1343 CA VAL A 87 10.109 -0.143 3.098 1.00 0.00 C ATOM 1344 C VAL A 87 11.252 -1.150 3.151 1.00 0.00 C ATOM 1345 O VAL A 87 11.299 -2.008 4.034 1.00 0.00 O ATOM 1346 CB VAL A 87 10.461 1.065 3.986 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.622 0.634 5.436 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.725 1.746 3.481 1.00 0.00 C ATOM 0 H VAL A 87 8.843 -1.100 4.468 1.00 0.00 H new ATOM 0 HA VAL A 87 9.976 0.196 2.071 1.00 0.00 H new ATOM 0 HB VAL A 87 9.642 1.783 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.871 1.501 6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.690 0.195 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.421 -0.103 5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.960 2.598 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.553 1.038 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.569 2.091 2.459 1.00 0.00 H new ATOM 1358 N THR A 88 12.175 -1.040 2.201 1.00 0.00 N ATOM 1359 CA THR A 88 13.319 -1.941 2.139 1.00 0.00 C ATOM 1360 C THR A 88 14.617 -1.168 1.938 1.00 0.00 C ATOM 1361 O THR A 88 14.667 -0.204 1.174 1.00 0.00 O ATOM 1362 CB THR A 88 13.165 -2.966 1.000 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.026 -3.800 1.242 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.412 -3.828 0.875 1.00 0.00 C ATOM 0 H THR A 88 12.153 -0.336 1.464 1.00 0.00 H new ATOM 0 HA THR A 88 13.357 -2.469 3.092 1.00 0.00 H new ATOM 0 HB THR A 88 13.024 -2.420 0.067 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.862 -3.858 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.279 -4.544 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.273 -3.194 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.579 -4.364 1.809 1.00 0.00 H new ATOM 1372 N LYS A 89 15.668 -1.597 2.629 1.00 0.00 N ATOM 1373 CA LYS A 89 16.969 -0.946 2.526 1.00 0.00 C ATOM 1374 C LYS A 89 18.093 -1.978 2.501 1.00 0.00 C ATOM 1375 O LYS A 89 18.199 -2.816 3.396 1.00 0.00 O ATOM 1376 CB LYS A 89 17.174 0.018 3.697 1.00 0.00 C ATOM 1377 CG LYS A 89 16.526 1.376 3.486 1.00 0.00 C ATOM 1378 CD LYS A 89 17.281 2.473 4.219 1.00 0.00 C ATOM 1379 CE LYS A 89 16.782 2.634 5.647 1.00 0.00 C ATOM 1380 NZ LYS A 89 17.809 3.259 6.526 1.00 0.00 N ATOM 0 H LYS A 89 15.644 -2.393 3.267 1.00 0.00 H new ATOM 0 HA LYS A 89 16.994 -0.384 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.768 -0.432 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.243 0.156 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.495 1.604 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.494 1.346 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.346 2.240 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.166 3.416 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.880 3.246 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.506 1.659 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.431 3.351 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.660 2.662 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.054 4.201 6.158 1.00 0.00 H new ATOM 1394 N GLY A 90 18.930 -1.910 1.470 1.00 0.00 N ATOM 1395 CA GLY A 90 20.035 -2.843 1.349 1.00 0.00 C ATOM 1396 C GLY A 90 19.582 -4.288 1.401 1.00 0.00 C ATOM 1397 O GLY A 90 19.046 -4.813 0.425 1.00 0.00 O ATOM 0 H GLY A 90 18.862 -1.226 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.557 -2.663 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.750 -2.661 2.151 1.00 0.00 H new ATOM 1401 N ARG A 91 19.799 -4.934 2.543 1.00 0.00 N ATOM 1402 CA ARG A 91 19.411 -6.329 2.717 1.00 0.00 C ATOM 1403 C ARG A 91 18.450 -6.483 3.892 1.00 0.00 C ATOM 1404 O ARG A 91 18.418 -7.525 4.548 1.00 0.00 O ATOM 1405 CB ARG A 91 20.649 -7.200 2.938 1.00 0.00 C ATOM 1406 CG ARG A 91 20.367 -8.691 2.851 1.00 0.00 C ATOM 1407 CD ARG A 91 21.646 -9.489 2.651 1.00 0.00 C ATOM 1408 NE ARG A 91 21.989 -9.628 1.238 1.00 0.00 N ATOM 1409 CZ ARG A 91 23.140 -10.134 0.808 1.00 0.00 C ATOM 1410 NH1 ARG A 91 24.053 -10.546 1.676 1.00 0.00 N ATOM 1411 NH2 ARG A 91 23.378 -10.228 -0.494 1.00 0.00 N ATOM 0 H ARG A 91 20.241 -4.514 3.361 1.00 0.00 H new ATOM 0 HA ARG A 91 18.903 -6.656 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.404 -6.938 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.071 -6.975 3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 91 19.869 -9.022 3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 91 19.683 -8.885 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 91 22.465 -8.998 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 91 21.530 -10.478 3.095 1.00 0.00 H new ATOM 0 HE ARG A 91 21.308 -9.320 0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 91 23.873 -10.475 2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.935 -10.934 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 91 22.677 -9.912 -1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 91 24.261 -10.616 -0.824 1.00 0.00 H new ATOM 1425 N ARG A 92 17.669 -5.440 4.152 1.00 0.00 N ATOM 1426 CA ARG A 92 16.709 -5.459 5.249 1.00 0.00 C ATOM 1427 C ARG A 92 15.367 -4.881 4.807 1.00 0.00 C ATOM 1428 O ARG A 92 15.231 -4.388 3.687 1.00 0.00 O ATOM 1429 CB ARG A 92 17.249 -4.669 6.442 1.00 0.00 C ATOM 1430 CG ARG A 92 18.538 -5.234 7.014 1.00 0.00 C ATOM 1431 CD ARG A 92 18.298 -6.552 7.734 1.00 0.00 C ATOM 1432 NE ARG A 92 17.975 -6.353 9.145 1.00 0.00 N ATOM 1433 CZ ARG A 92 17.656 -7.342 9.972 1.00 0.00 C ATOM 1434 NH1 ARG A 92 17.619 -8.592 9.532 1.00 0.00 N ATOM 1435 NH2 ARG A 92 17.375 -7.082 11.242 1.00 0.00 N ATOM 0 H ARG A 92 17.682 -4.571 3.618 1.00 0.00 H new ATOM 0 HA ARG A 92 16.558 -6.496 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.419 -3.637 6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.492 -4.649 7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.259 -5.383 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.976 -4.515 7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.483 -7.088 7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.186 -7.178 7.650 1.00 0.00 H new ATOM 0 HE ARG A 92 17.996 -5.403 9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.836 -8.796 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.374 -9.350 10.169 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.404 -6.122 11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.130 -7.842 11.876 1.00 0.00 H new ATOM 1449 N SER A 93 14.380 -4.946 5.694 1.00 0.00 N ATOM 1450 CA SER A 93 13.048 -4.433 5.395 1.00 0.00 C ATOM 1451 C SER A 93 12.165 -4.455 6.639 1.00 0.00 C ATOM 1452 O SER A 93 12.602 -4.857 7.717 1.00 0.00 O ATOM 1453 CB SER A 93 12.400 -5.257 4.281 1.00 0.00 C ATOM 1454 OG SER A 93 11.281 -4.583 3.733 1.00 0.00 O ATOM 0 H SER A 93 14.477 -5.349 6.626 1.00 0.00 H new ATOM 0 HA SER A 93 13.150 -3.400 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.131 -5.452 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.089 -6.225 4.674 1.00 0.00 H new ATOM 0 HG SER A 93 11.369 -3.620 3.893 1.00 0.00 H new ATOM 1460 N SER A 94 10.919 -4.019 6.480 1.00 0.00 N ATOM 1461 CA SER A 94 9.975 -3.984 7.591 1.00 0.00 C ATOM 1462 C SER A 94 8.702 -4.752 7.245 1.00 0.00 C ATOM 1463 O SER A 94 8.420 -5.017 6.076 1.00 0.00 O ATOM 1464 CB SER A 94 9.630 -2.538 7.949 1.00 0.00 C ATOM 1465 OG SER A 94 9.023 -1.872 6.855 1.00 0.00 O ATOM 0 H SER A 94 10.540 -3.685 5.594 1.00 0.00 H new ATOM 0 HA SER A 94 10.445 -4.461 8.451 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.957 -2.523 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.535 -2.008 8.245 1.00 0.00 H new ATOM 0 HG SER A 94 8.051 -1.991 6.898 1.00 0.00 H new ATOM 1471 N THR A 95 7.936 -5.107 8.272 1.00 0.00 N ATOM 1472 CA THR A 95 6.694 -5.845 8.079 1.00 0.00 C ATOM 1473 C THR A 95 5.676 -5.016 7.305 1.00 0.00 C ATOM 1474 O THR A 95 5.928 -3.857 6.974 1.00 0.00 O ATOM 1475 CB THR A 95 6.077 -6.268 9.426 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.055 -7.247 9.210 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.491 -5.067 10.153 1.00 0.00 C ATOM 0 H THR A 95 8.154 -4.895 9.246 1.00 0.00 H new ATOM 0 HA THR A 95 6.943 -6.738 7.505 1.00 0.00 H new ATOM 0 HB THR A 95 6.866 -6.697 10.044 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.669 -7.512 10.071 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.061 -5.390 11.101 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.278 -4.336 10.341 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.714 -4.613 9.538 1.00 0.00 H new ATOM 1485 N TRP A 96 4.526 -5.616 7.019 1.00 0.00 N ATOM 1486 CA TRP A 96 3.469 -4.931 6.283 1.00 0.00 C ATOM 1487 C TRP A 96 2.599 -4.104 7.223 1.00 0.00 C ATOM 1488 O TRP A 96 1.805 -4.650 7.989 1.00 0.00 O ATOM 1489 CB TRP A 96 2.606 -5.944 5.528 1.00 0.00 C ATOM 1490 CG TRP A 96 3.330 -6.619 4.403 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.779 -7.908 4.373 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.690 -6.038 3.145 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.396 -8.164 3.172 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.354 -7.033 2.401 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.515 -4.774 2.574 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.843 -6.801 1.118 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.000 -4.546 1.300 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.657 -5.555 0.583 1.00 0.00 C ATOM 0 H TRP A 96 4.302 -6.575 7.285 1.00 0.00 H new ATOM 0 HA TRP A 96 3.938 -4.257 5.566 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.250 -6.701 6.228 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.726 -5.437 5.132 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.666 -8.622 5.176 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.817 -9.052 2.899 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.010 -3.990 3.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.351 -7.577 0.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.870 -3.573 0.849 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.024 -5.345 -0.411 1.00 0.00 H new ATOM 1509 N SER A 97 2.754 -2.786 7.160 1.00 0.00 N ATOM 1510 CA SER A 97 1.985 -1.884 8.009 1.00 0.00 C ATOM 1511 C SER A 97 0.510 -2.276 8.022 1.00 0.00 C ATOM 1512 O SER A 97 0.064 -3.082 7.206 1.00 0.00 O ATOM 1513 CB SER A 97 2.136 -0.440 7.525 1.00 0.00 C ATOM 1514 OG SER A 97 1.685 -0.300 6.189 1.00 0.00 O ATOM 0 H SER A 97 3.405 -2.319 6.530 1.00 0.00 H new ATOM 0 HA SER A 97 2.373 -1.962 9.025 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.569 0.226 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.181 -0.138 7.593 1.00 0.00 H new ATOM 0 HG SER A 97 1.431 -1.178 5.836 1.00 0.00 H new ATOM 1520 N MET A 98 -0.241 -1.699 8.954 1.00 0.00 N ATOM 1521 CA MET A 98 -1.665 -1.987 9.073 1.00 0.00 C ATOM 1522 C MET A 98 -2.310 -2.118 7.697 1.00 0.00 C ATOM 1523 O MET A 98 -2.293 -1.180 6.899 1.00 0.00 O ATOM 1524 CB MET A 98 -2.364 -0.886 9.874 1.00 0.00 C ATOM 1525 CG MET A 98 -2.307 0.479 9.209 1.00 0.00 C ATOM 1526 SD MET A 98 -2.593 1.830 10.369 1.00 0.00 S ATOM 1527 CE MET A 98 -4.335 1.610 10.723 1.00 0.00 C ATOM 0 H MET A 98 0.113 -1.030 9.637 1.00 0.00 H new ATOM 0 HA MET A 98 -1.776 -2.936 9.598 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.407 -1.164 10.025 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.906 -0.820 10.861 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.332 0.609 8.739 1.00 0.00 H new ATOM 0 HG3 MET A 98 -3.052 0.523 8.415 1.00 0.00 H new ATOM 0 HE1 MET A 98 -4.662 2.374 11.429 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.908 1.700 9.800 1.00 0.00 H new ATOM 0 HE3 MET A 98 -4.496 0.623 11.156 1.00 0.00 H new ATOM 1537 N THR A 99 -2.879 -3.288 7.425 1.00 0.00 N ATOM 1538 CA THR A 99 -3.529 -3.542 6.145 1.00 0.00 C ATOM 1539 C THR A 99 -4.736 -2.633 5.950 1.00 0.00 C ATOM 1540 O THR A 99 -5.663 -2.635 6.759 1.00 0.00 O ATOM 1541 CB THR A 99 -3.981 -5.010 6.026 1.00 0.00 C ATOM 1542 OG1 THR A 99 -3.091 -5.858 6.760 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.022 -5.448 4.570 1.00 0.00 C ATOM 0 H THR A 99 -2.903 -4.075 8.074 1.00 0.00 H new ATOM 0 HA THR A 99 -2.792 -3.332 5.370 1.00 0.00 H new ATOM 0 HB THR A 99 -4.985 -5.092 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.386 -6.789 6.681 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.344 -6.488 4.512 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.723 -4.820 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.028 -5.351 4.133 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.719 -1.856 4.872 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.814 -0.943 4.570 1.00 0.00 C ATOM 1553 C ALA A 100 -6.796 -1.570 3.586 1.00 0.00 C ATOM 1554 O ALA A 100 -6.460 -1.812 2.427 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.272 0.366 4.016 1.00 0.00 C ATOM 0 H ALA A 100 -3.958 -1.841 4.193 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.350 -0.738 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.101 1.038 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.616 0.829 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.710 0.170 3.103 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.011 -1.833 4.056 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.043 -2.432 3.217 1.00 0.00 C ATOM 1563 C HIS A 101 -9.946 -1.359 2.616 1.00 0.00 C ATOM 1564 O HIS A 101 -10.402 -0.455 3.314 1.00 0.00 O ATOM 1565 CB HIS A 101 -9.879 -3.422 4.029 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.080 -4.552 4.602 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -8.623 -4.568 5.903 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.658 -5.711 4.043 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -7.954 -5.686 6.119 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -7.961 -6.397 5.006 1.00 0.00 N ATOM 0 H HIS A 101 -8.305 -1.641 5.014 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.551 -2.965 2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.372 -2.888 4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.664 -3.829 3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.837 -6.035 3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.482 -5.970 7.048 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.520 -7.308 4.882 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.198 -1.466 1.315 1.00 0.00 N ATOM 1580 CA GLY A 102 -11.044 -0.498 0.641 1.00 0.00 C ATOM 1581 C GLY A 102 -11.819 -1.108 -0.510 1.00 0.00 C ATOM 1582 O GLY A 102 -11.243 -1.765 -1.378 1.00 0.00 O ATOM 0 H GLY A 102 -9.832 -2.206 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.743 -0.069 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.428 0.320 0.267 1.00 0.00 H new ATOM 1586 N THR A 103 -13.131 -0.891 -0.520 1.00 0.00 N ATOM 1587 CA THR A 103 -13.986 -1.426 -1.571 1.00 0.00 C ATOM 1588 C THR A 103 -14.393 -0.336 -2.556 1.00 0.00 C ATOM 1589 O THR A 103 -14.999 0.666 -2.175 1.00 0.00 O ATOM 1590 CB THR A 103 -15.256 -2.074 -0.987 1.00 0.00 C ATOM 1591 OG1 THR A 103 -14.898 -3.135 -0.095 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.146 -2.615 -2.096 1.00 0.00 C ATOM 0 H THR A 103 -13.624 -0.348 0.189 1.00 0.00 H new ATOM 0 HA THR A 103 -13.406 -2.187 -2.093 1.00 0.00 H new ATOM 0 HB THR A 103 -15.809 -1.311 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.710 -3.541 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.036 -3.068 -1.660 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.440 -1.800 -2.757 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.600 -3.366 -2.667 1.00 0.00 H new ATOM 1600 N THR A 104 -14.057 -0.538 -3.827 1.00 0.00 N ATOM 1601 CA THR A 104 -14.387 0.428 -4.867 1.00 0.00 C ATOM 1602 C THR A 104 -15.893 0.508 -5.086 1.00 0.00 C ATOM 1603 O THR A 104 -16.638 -0.383 -4.676 1.00 0.00 O ATOM 1604 CB THR A 104 -13.704 0.072 -6.201 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.091 -1.243 -6.614 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.190 0.142 -6.070 1.00 0.00 C ATOM 0 H THR A 104 -13.557 -1.362 -4.160 1.00 0.00 H new ATOM 0 HA THR A 104 -14.021 1.396 -4.526 1.00 0.00 H new ATOM 0 HB THR A 104 -14.022 0.797 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.442 -1.586 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.730 -0.113 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.896 1.152 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.858 -0.562 -5.307 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.336 1.579 -5.735 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.755 1.775 -6.008 1.00 0.00 C ATOM 1616 C PHE A 105 -18.206 0.918 -7.187 1.00 0.00 C ATOM 1617 O PHE A 105 -17.451 0.702 -8.135 1.00 0.00 O ATOM 1618 CB PHE A 105 -18.042 3.250 -6.297 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.767 4.154 -5.129 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.303 3.878 -3.882 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.974 5.280 -5.280 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.052 4.707 -2.805 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.720 6.113 -4.206 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.260 5.827 -2.968 1.00 0.00 C ATOM 0 H PHE A 105 -15.733 2.325 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.314 1.469 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.436 3.570 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.086 3.358 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.924 3.005 -3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.550 5.509 -6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.474 4.480 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.099 6.987 -4.336 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.064 6.478 -2.129 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.441 0.431 -7.120 1.00 0.00 N ATOM 1635 CA GLU A 106 -19.991 -0.404 -8.181 1.00 0.00 C ATOM 1636 C GLU A 106 -20.041 0.358 -9.502 1.00 0.00 C ATOM 1637 O GLU A 106 -20.545 1.480 -9.567 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.394 -0.887 -7.805 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.388 0.242 -7.586 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.655 -0.223 -6.895 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -23.548 -0.875 -5.835 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -24.753 0.067 -7.414 1.00 0.00 O ATOM 0 H GLU A 106 -20.079 0.600 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.338 -1.268 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.767 -1.541 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.332 -1.486 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.919 1.024 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.645 0.687 -8.547 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.514 -0.260 -10.554 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.497 0.359 -11.875 1.00 0.00 C ATOM 1651 C LEU A 107 -20.898 0.802 -12.287 1.00 0.00 C ATOM 1652 O LEU A 107 -21.761 -0.025 -12.579 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.934 -0.617 -12.910 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.162 0.009 -14.072 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -19.120 0.636 -15.073 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.172 1.044 -13.558 1.00 0.00 C ATOM 0 H LEU A 107 -19.093 -1.188 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.856 1.240 -11.828 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.275 -1.318 -12.398 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.760 -1.198 -13.320 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.604 -0.778 -14.579 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.553 1.076 -15.893 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.789 -0.130 -15.465 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.706 1.411 -14.579 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.631 1.479 -14.398 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.710 1.829 -13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.465 0.566 -12.880 1.00 0.00 H new ATOM 1668 N SER A 108 -21.115 2.113 -12.310 1.00 0.00 N ATOM 1669 CA SER A 108 -22.411 2.667 -12.684 1.00 0.00 C ATOM 1670 C SER A 108 -22.242 3.976 -13.449 1.00 0.00 C ATOM 1671 O SER A 108 -21.569 4.897 -12.986 1.00 0.00 O ATOM 1672 CB SER A 108 -23.270 2.897 -11.439 1.00 0.00 C ATOM 1673 OG SER A 108 -24.650 2.853 -11.757 1.00 0.00 O ATOM 0 H SER A 108 -20.410 2.811 -12.074 1.00 0.00 H new ATOM 0 HA SER A 108 -22.911 1.949 -13.334 1.00 0.00 H new ATOM 0 HB2 SER A 108 -23.042 2.138 -10.690 1.00 0.00 H new ATOM 0 HB3 SER A 108 -23.026 3.863 -10.998 1.00 0.00 H new ATOM 0 HG SER A 108 -25.178 3.001 -10.945 1.00 0.00 H new ATOM 1679 N GLY A 109 -22.858 4.052 -14.625 1.00 0.00 N ATOM 1680 CA GLY A 109 -22.764 5.251 -15.436 1.00 0.00 C ATOM 1681 C GLY A 109 -23.243 5.029 -16.857 1.00 0.00 C ATOM 1682 O GLY A 109 -22.457 4.750 -17.763 1.00 0.00 O ATOM 0 H GLY A 109 -23.421 3.304 -15.030 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -23.354 6.044 -14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -21.729 5.594 -15.454 1.00 0.00 H new ATOM 1686 N PRO A 110 -24.562 5.151 -17.067 1.00 0.00 N ATOM 1687 CA PRO A 110 -25.174 4.965 -18.386 1.00 0.00 C ATOM 1688 C PRO A 110 -24.816 6.086 -19.355 1.00 0.00 C ATOM 1689 O PRO A 110 -24.558 5.843 -20.534 1.00 0.00 O ATOM 1690 CB PRO A 110 -26.674 4.976 -18.086 1.00 0.00 C ATOM 1691 CG PRO A 110 -26.803 5.763 -16.828 1.00 0.00 C ATOM 1692 CD PRO A 110 -25.557 5.481 -16.034 1.00 0.00 C ATOM 0 HA PRO A 110 -24.829 4.051 -18.870 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -27.237 5.434 -18.899 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -27.060 3.964 -17.961 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -26.897 6.828 -17.042 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -27.694 5.469 -16.273 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -25.252 6.345 -15.444 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -25.702 4.655 -15.338 1.00 0.00 H new ATOM 1700 N SER A 111 -24.803 7.316 -18.851 1.00 0.00 N ATOM 1701 CA SER A 111 -24.480 8.476 -19.673 1.00 0.00 C ATOM 1702 C SER A 111 -23.669 9.496 -18.879 1.00 0.00 C ATOM 1703 O SER A 111 -24.141 10.038 -17.879 1.00 0.00 O ATOM 1704 CB SER A 111 -25.761 9.125 -20.201 1.00 0.00 C ATOM 1705 OG SER A 111 -25.464 10.230 -21.038 1.00 0.00 O ATOM 0 H SER A 111 -25.013 7.535 -17.877 1.00 0.00 H new ATOM 0 HA SER A 111 -23.878 8.137 -20.516 1.00 0.00 H new ATOM 0 HB2 SER A 111 -26.343 8.390 -20.757 1.00 0.00 H new ATOM 0 HB3 SER A 111 -26.378 9.453 -19.364 1.00 0.00 H new ATOM 0 HG SER A 111 -26.299 10.627 -21.364 1.00 0.00 H new ATOM 1711 N SER A 112 -22.447 9.753 -19.332 1.00 0.00 N ATOM 1712 CA SER A 112 -21.567 10.705 -18.663 1.00 0.00 C ATOM 1713 C SER A 112 -21.637 10.536 -17.148 1.00 0.00 C ATOM 1714 O SER A 112 -21.670 11.515 -16.404 1.00 0.00 O ATOM 1715 CB SER A 112 -21.945 12.137 -19.046 1.00 0.00 C ATOM 1716 OG SER A 112 -21.292 12.535 -20.239 1.00 0.00 O ATOM 0 H SER A 112 -22.043 9.315 -20.160 1.00 0.00 H new ATOM 0 HA SER A 112 -20.545 10.508 -18.987 1.00 0.00 H new ATOM 0 HB2 SER A 112 -23.025 12.209 -19.177 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.677 12.816 -18.237 1.00 0.00 H new ATOM 0 HG SER A 112 -21.551 13.453 -20.463 1.00 0.00 H new ATOM 1722 N GLY A 113 -21.659 9.285 -16.699 1.00 0.00 N ATOM 1723 CA GLY A 113 -21.725 9.009 -15.275 1.00 0.00 C ATOM 1724 C GLY A 113 -20.733 9.834 -14.479 1.00 0.00 C ATOM 1725 O GLY A 113 -20.628 9.684 -13.261 1.00 0.00 O ATOM 0 H GLY A 113 -21.632 8.458 -17.295 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -22.734 9.212 -14.915 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -21.532 7.950 -15.104 1.00 0.00 H new TER 1729 GLY A 113