USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1124 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 134 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.8) USER MOD Set 2.1: A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 99 GLN : amide:sc= -2.71! C(o=-2.7!,f=-5!) USER MOD Set 3.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 57 CYS SG : rot 180:sc= -0.0195 USER MOD Set 4.1: A 34 MET CE :methyl 172:sc= -2.42 (180deg=-2.5) USER MOD Set 4.2: A 126 SER OG : rot -39:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.156 (180deg=-0.217) USER MOD Single : A 3 LYS NZ :NH3+ -146:sc= -0.485 (180deg=-2.26!) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.186 F(o=-0.82,f=-0.19) USER MOD Single : A 9 THR OG1 : rot -43:sc= 1.17 USER MOD Single : A 13 HIS : no HD1:sc= -1.51! C(o=-1.5!,f=-1.2!) USER MOD Single : A 18 HIS : no HE2:sc= -3.93! C(o=-3.9!,f=-7.8!) USER MOD Single : A 22 ASN : amide:sc= -3.9! C(o=-3.9!,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.283) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0885 F(o=-1.9!,f=-0.088) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0.087) USER MOD Single : A 35 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.73) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 53 SER OG : rot -31:sc= 0.0328! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 56 CYS SG : rot 81:sc= -1.98! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -75:sc= 1.17 USER MOD Single : A 70 ASN : amide:sc= -0.622 K(o=-0.62,f=-11!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= -4.28! (180deg=-5.57!) USER MOD Single : A 81 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.76 K(o=-1.8,f=-6.5!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -155:sc= 1.09 (180deg=-0.414!) USER MOD Single : A 94 THR OG1 : rot 138:sc= 0.659 USER MOD Single : A 97 SER OG : rot 180:sc= -0.614 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -1.2 F(o=-3.7!,f=-1.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -100:sc= -0.254 USER MOD Single : A 114 MET CE :methyl -152:sc= -0.0251 (180deg=-1.36) USER MOD Single : A 121 SER OG : rot 180:sc= 0.243 USER MOD Single : A 122 GLN :FLIP amide:sc= -0.26 F(o=-1.3!,f=-0.26) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 CYS SG : rot -22:sc= 0.0509 USER MOD Single : A 131 GLN :FLIP amide:sc= -0.0593 F(o=-0.57,f=-0.059) USER MOD Single : A 136 GLN : amide:sc= -1.02 X(o=-1,f=-0.59) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.141) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.295 -38.964 -6.584 1.00 0.00 N ATOM 2 CA MET A 1 -5.733 -38.759 -6.912 1.00 0.00 C ATOM 3 C MET A 1 -6.587 -39.664 -6.031 1.00 0.00 C ATOM 4 O MET A 1 -7.809 -39.521 -5.975 1.00 0.00 O ATOM 5 CB MET A 1 -5.970 -39.093 -8.386 1.00 0.00 C ATOM 6 CG MET A 1 -5.737 -37.845 -9.238 1.00 0.00 C ATOM 7 SD MET A 1 -7.049 -36.641 -8.917 1.00 0.00 S ATOM 8 CE MET A 1 -6.347 -35.278 -9.878 1.00 0.00 C ATOM 0 H1 MET A 1 -3.722 -38.245 -7.070 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.158 -38.880 -5.557 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.999 -39.911 -6.896 1.00 0.00 H new ATOM 0 HA MET A 1 -6.007 -37.720 -6.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.298 -39.891 -8.701 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.987 -39.458 -8.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.765 -37.410 -9.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.723 -38.111 -10.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.007 -34.413 -9.818 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.368 -35.016 -9.476 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.242 -35.583 -10.919 1.00 0.00 H new ATOM 20 N GLU A 2 -5.935 -40.596 -5.343 1.00 0.00 N ATOM 21 CA GLU A 2 -6.642 -41.523 -4.467 1.00 0.00 C ATOM 22 C GLU A 2 -6.984 -40.855 -3.139 1.00 0.00 C ATOM 23 O GLU A 2 -6.132 -40.224 -2.512 1.00 0.00 O ATOM 24 CB GLU A 2 -5.779 -42.761 -4.212 1.00 0.00 C ATOM 25 CG GLU A 2 -6.609 -43.818 -3.482 1.00 0.00 C ATOM 26 CD GLU A 2 -6.005 -45.200 -3.704 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.310 -45.369 -4.693 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.246 -46.069 -2.883 1.00 0.00 O ATOM 0 H GLU A 2 -4.924 -40.729 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.569 -41.821 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.410 -43.161 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.906 -42.493 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.642 -43.594 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.637 -43.799 -3.844 1.00 0.00 H new ATOM 35 N LYS A 3 -8.234 -41.001 -2.714 1.00 0.00 N ATOM 36 CA LYS A 3 -8.680 -40.411 -1.457 1.00 0.00 C ATOM 37 C LYS A 3 -9.503 -41.419 -0.660 1.00 0.00 C ATOM 38 O LYS A 3 -10.647 -41.152 -0.295 1.00 0.00 O ATOM 39 CB LYS A 3 -9.523 -39.165 -1.735 1.00 0.00 C ATOM 40 CG LYS A 3 -10.149 -39.271 -3.128 1.00 0.00 C ATOM 41 CD LYS A 3 -11.225 -38.195 -3.291 1.00 0.00 C ATOM 42 CE LYS A 3 -12.609 -38.845 -3.252 1.00 0.00 C ATOM 43 NZ LYS A 3 -12.645 -39.995 -4.200 1.00 0.00 N ATOM 0 H LYS A 3 -8.953 -41.520 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.803 -40.131 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.304 -39.066 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.902 -38.271 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.382 -39.151 -3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.586 -40.260 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.137 -37.455 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.086 -37.667 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.834 -39.186 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.373 -38.115 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.595 -40.072 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.947 -39.844 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.418 -40.872 -3.690 1.00 0.00 H new ATOM 57 N ASN A 4 -8.913 -42.583 -0.402 1.00 0.00 N ATOM 58 CA ASN A 4 -9.603 -43.630 0.344 1.00 0.00 C ATOM 59 C ASN A 4 -9.439 -43.426 1.849 1.00 0.00 C ATOM 60 O ASN A 4 -10.423 -43.366 2.586 1.00 0.00 O ATOM 61 CB ASN A 4 -9.052 -45.003 -0.053 1.00 0.00 C ATOM 62 CG ASN A 4 -10.121 -45.802 -0.793 1.00 0.00 C ATOM 63 OD1 ASN A 4 -11.367 -45.714 -0.416 1.00 0.00 O flip ATOM 64 ND2 ASN A 4 -9.812 -46.527 -1.739 1.00 0.00 N flip ATOM 0 H ASN A 4 -7.966 -42.824 -0.696 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.664 -43.579 0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.173 -44.882 -0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.731 -45.546 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.838 -46.595 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.531 -47.060 -2.229 1.00 0.00 H new ATOM 71 N PRO A 5 -8.221 -43.323 2.313 1.00 0.00 N ATOM 72 CA PRO A 5 -7.926 -43.127 3.759 1.00 0.00 C ATOM 73 C PRO A 5 -8.108 -41.673 4.198 1.00 0.00 C ATOM 74 O PRO A 5 -7.848 -40.748 3.429 1.00 0.00 O ATOM 75 CB PRO A 5 -6.463 -43.550 3.876 1.00 0.00 C ATOM 76 CG PRO A 5 -5.863 -43.258 2.540 1.00 0.00 C ATOM 77 CD PRO A 5 -6.990 -43.384 1.509 1.00 0.00 C ATOM 0 HA PRO A 5 -8.600 -43.697 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.955 -42.996 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.378 -44.608 4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.432 -42.257 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.056 -43.957 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.952 -42.578 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.921 -44.321 0.956 1.00 0.00 H new ATOM 85 N PRO A 6 -8.542 -41.462 5.413 1.00 0.00 N ATOM 86 CA PRO A 6 -8.756 -40.093 5.965 1.00 0.00 C ATOM 87 C PRO A 6 -7.439 -39.395 6.294 1.00 0.00 C ATOM 88 O PRO A 6 -6.809 -39.688 7.309 1.00 0.00 O ATOM 89 CB PRO A 6 -9.573 -40.339 7.234 1.00 0.00 C ATOM 90 CG PRO A 6 -9.229 -41.727 7.664 1.00 0.00 C ATOM 91 CD PRO A 6 -8.876 -42.506 6.396 1.00 0.00 C ATOM 0 HA PRO A 6 -9.255 -39.437 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.323 -39.614 8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.641 -40.241 7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.390 -41.720 8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.068 -42.191 8.182 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.035 -43.179 6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.712 -43.118 6.059 1.00 0.00 H new ATOM 99 N ASP A 7 -7.030 -38.472 5.431 1.00 0.00 N ATOM 100 CA ASP A 7 -5.785 -37.742 5.644 1.00 0.00 C ATOM 101 C ASP A 7 -6.057 -36.250 5.804 1.00 0.00 C ATOM 102 O ASP A 7 -5.521 -35.428 5.061 1.00 0.00 O ATOM 103 CB ASP A 7 -4.838 -37.967 4.464 1.00 0.00 C ATOM 104 CG ASP A 7 -4.436 -39.437 4.393 1.00 0.00 C ATOM 105 OD1 ASP A 7 -5.233 -40.225 3.912 1.00 0.00 O ATOM 106 OD2 ASP A 7 -3.338 -39.751 4.819 1.00 0.00 O ATOM 0 H ASP A 7 -7.537 -38.213 4.585 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.321 -38.114 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.324 -37.669 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.951 -37.343 4.575 1.00 0.00 H new ATOM 111 N ASP A 8 -6.894 -35.907 6.778 1.00 0.00 N ATOM 112 CA ASP A 8 -7.229 -34.510 7.027 1.00 0.00 C ATOM 113 C ASP A 8 -7.135 -33.697 5.740 1.00 0.00 C ATOM 114 O ASP A 8 -6.474 -32.660 5.699 1.00 0.00 O ATOM 115 CB ASP A 8 -6.280 -33.923 8.073 1.00 0.00 C ATOM 116 CG ASP A 8 -4.851 -33.928 7.540 1.00 0.00 C ATOM 117 OD1 ASP A 8 -4.394 -34.985 7.136 1.00 0.00 O ATOM 118 OD2 ASP A 8 -4.234 -32.876 7.544 1.00 0.00 O ATOM 0 H ASP A 8 -7.350 -36.572 7.403 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.253 -34.464 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.582 -32.905 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.336 -34.504 8.994 1.00 0.00 H new ATOM 123 N THR A 9 -7.798 -34.176 4.693 1.00 0.00 N ATOM 124 CA THR A 9 -7.780 -33.482 3.410 1.00 0.00 C ATOM 125 C THR A 9 -8.639 -32.223 3.470 1.00 0.00 C ATOM 126 O THR A 9 -8.985 -31.647 2.440 1.00 0.00 O ATOM 127 CB THR A 9 -8.301 -34.407 2.309 1.00 0.00 C ATOM 128 OG1 THR A 9 -8.298 -33.713 1.070 1.00 0.00 O ATOM 129 CG2 THR A 9 -9.726 -34.851 2.644 1.00 0.00 C ATOM 0 H THR A 9 -8.350 -35.034 4.706 1.00 0.00 H new ATOM 0 HA THR A 9 -6.752 -33.196 3.187 1.00 0.00 H new ATOM 0 HB THR A 9 -7.658 -35.284 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.637 -32.803 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.096 -35.510 1.859 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.727 -35.384 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.372 -33.976 2.718 1.00 0.00 H new ATOM 137 N GLY A 10 -8.979 -31.804 4.684 1.00 0.00 N ATOM 138 CA GLY A 10 -9.800 -30.613 4.869 1.00 0.00 C ATOM 139 C GLY A 10 -9.129 -29.387 4.262 1.00 0.00 C ATOM 140 O GLY A 10 -9.575 -28.863 3.240 1.00 0.00 O ATOM 0 H GLY A 10 -8.701 -32.268 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.776 -30.764 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.973 -30.448 5.932 1.00 0.00 H new ATOM 144 N PRO A 11 -8.072 -28.925 4.872 1.00 0.00 N ATOM 145 CA PRO A 11 -7.317 -27.732 4.390 1.00 0.00 C ATOM 146 C PRO A 11 -6.675 -27.971 3.026 1.00 0.00 C ATOM 147 O PRO A 11 -5.518 -28.386 2.938 1.00 0.00 O ATOM 148 CB PRO A 11 -6.249 -27.504 5.466 1.00 0.00 C ATOM 149 CG PRO A 11 -6.126 -28.800 6.196 1.00 0.00 C ATOM 150 CD PRO A 11 -7.482 -29.494 6.091 1.00 0.00 C ATOM 0 HA PRO A 11 -7.969 -26.870 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.298 -27.215 5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.540 -26.700 6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.341 -29.417 5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.857 -28.633 7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.373 -30.576 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.102 -29.296 6.966 1.00 0.00 H new ATOM 158 N VAL A 12 -7.432 -27.706 1.966 1.00 0.00 N ATOM 159 CA VAL A 12 -6.926 -27.897 0.611 1.00 0.00 C ATOM 160 C VAL A 12 -6.570 -26.555 -0.020 1.00 0.00 C ATOM 161 O VAL A 12 -5.656 -26.468 -0.840 1.00 0.00 O ATOM 162 CB VAL A 12 -7.979 -28.602 -0.245 1.00 0.00 C ATOM 163 CG1 VAL A 12 -7.330 -29.109 -1.534 1.00 0.00 C ATOM 164 CG2 VAL A 12 -8.557 -29.785 0.532 1.00 0.00 C ATOM 0 H VAL A 12 -8.391 -27.361 2.018 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.028 -28.513 0.661 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.778 -27.902 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.079 -29.612 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.915 -28.267 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.532 -29.810 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.308 -30.288 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.758 -30.485 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.018 -29.426 1.452 1.00 0.00 H new ATOM 174 N HIS A 13 -7.298 -25.512 0.366 1.00 0.00 N ATOM 175 CA HIS A 13 -7.048 -24.180 -0.172 1.00 0.00 C ATOM 176 C HIS A 13 -7.388 -23.110 0.862 1.00 0.00 C ATOM 177 O HIS A 13 -8.560 -22.838 1.126 1.00 0.00 O ATOM 178 CB HIS A 13 -7.887 -23.958 -1.432 1.00 0.00 C ATOM 179 CG HIS A 13 -9.341 -23.853 -1.056 1.00 0.00 C ATOM 180 ND1 HIS A 13 -10.116 -22.757 -1.399 1.00 0.00 N ATOM 181 CD2 HIS A 13 -10.174 -24.701 -0.368 1.00 0.00 C ATOM 182 CE1 HIS A 13 -11.355 -22.971 -0.922 1.00 0.00 C ATOM 183 NE2 HIS A 13 -11.446 -24.141 -0.285 1.00 0.00 N ATOM 0 H HIS A 13 -8.059 -25.562 1.043 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.990 -24.104 -0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.565 -23.049 -1.940 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.740 -24.782 -2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.886 -25.656 0.045 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -12.177 -22.280 -1.040 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.270 -24.539 0.165 1.00 0.00 H new ATOM 191 N VAL A 14 -6.356 -22.506 1.441 1.00 0.00 N ATOM 192 CA VAL A 14 -6.555 -21.465 2.444 1.00 0.00 C ATOM 193 C VAL A 14 -5.776 -20.208 2.070 1.00 0.00 C ATOM 194 O VAL A 14 -5.015 -19.672 2.876 1.00 0.00 O ATOM 195 CB VAL A 14 -6.093 -21.963 3.815 1.00 0.00 C ATOM 196 CG1 VAL A 14 -7.139 -22.920 4.389 1.00 0.00 C ATOM 197 CG2 VAL A 14 -4.759 -22.695 3.668 1.00 0.00 C ATOM 0 H VAL A 14 -5.379 -22.717 1.235 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.617 -21.225 2.485 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.970 -21.114 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.810 -23.275 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.090 -22.399 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.263 -23.769 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.429 -23.050 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.882 -23.544 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.013 -22.013 3.259 1.00 0.00 H new ATOM 207 N PRO A 15 -5.954 -19.740 0.865 1.00 0.00 N ATOM 208 CA PRO A 15 -5.257 -18.521 0.359 1.00 0.00 C ATOM 209 C PRO A 15 -5.697 -17.257 1.095 1.00 0.00 C ATOM 210 O PRO A 15 -4.930 -16.302 1.221 1.00 0.00 O ATOM 211 CB PRO A 15 -5.648 -18.454 -1.120 1.00 0.00 C ATOM 212 CG PRO A 15 -6.895 -19.267 -1.247 1.00 0.00 C ATOM 213 CD PRO A 15 -6.842 -20.325 -0.148 1.00 0.00 C ATOM 0 HA PRO A 15 -4.180 -18.579 0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.819 -17.424 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.855 -18.852 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.779 -18.639 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.955 -19.733 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.833 -20.528 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.451 -21.271 -0.523 1.00 0.00 H new ATOM 221 N LEU A 16 -6.934 -17.258 1.579 1.00 0.00 N ATOM 222 CA LEU A 16 -7.464 -16.106 2.300 1.00 0.00 C ATOM 223 C LEU A 16 -6.822 -15.995 3.680 1.00 0.00 C ATOM 224 O LEU A 16 -7.168 -15.114 4.466 1.00 0.00 O ATOM 225 CB LEU A 16 -8.981 -16.235 2.450 1.00 0.00 C ATOM 226 CG LEU A 16 -9.676 -15.225 1.534 1.00 0.00 C ATOM 227 CD1 LEU A 16 -11.169 -15.544 1.462 1.00 0.00 C ATOM 228 CD2 LEU A 16 -9.483 -13.813 2.095 1.00 0.00 C ATOM 0 H LEU A 16 -7.585 -18.038 1.486 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.231 -15.207 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.297 -17.247 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.270 -16.060 3.486 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.244 -15.283 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.664 -14.825 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.307 -16.549 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.602 -15.486 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.977 -13.092 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.916 -13.756 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.418 -13.585 2.147 1.00 0.00 H new ATOM 240 N GLY A 17 -5.887 -16.895 3.967 1.00 0.00 N ATOM 241 CA GLY A 17 -5.207 -16.889 5.258 1.00 0.00 C ATOM 242 C GLY A 17 -3.813 -16.283 5.137 1.00 0.00 C ATOM 243 O GLY A 17 -3.541 -15.214 5.684 1.00 0.00 O ATOM 0 H GLY A 17 -5.585 -17.632 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.794 -16.320 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.133 -17.908 5.639 1.00 0.00 H new ATOM 247 N HIS A 18 -2.932 -16.974 4.420 1.00 0.00 N ATOM 248 CA HIS A 18 -1.567 -16.494 4.237 1.00 0.00 C ATOM 249 C HIS A 18 -1.537 -15.305 3.282 1.00 0.00 C ATOM 250 O HIS A 18 -2.423 -15.148 2.441 1.00 0.00 O ATOM 251 CB HIS A 18 -0.687 -17.615 3.682 1.00 0.00 C ATOM 252 CG HIS A 18 -1.274 -18.948 4.059 1.00 0.00 C ATOM 253 ND1 HIS A 18 -1.585 -19.275 5.369 1.00 0.00 N ATOM 254 CD2 HIS A 18 -1.613 -20.045 3.307 1.00 0.00 C ATOM 255 CE1 HIS A 18 -2.089 -20.523 5.366 1.00 0.00 C ATOM 256 NE2 HIS A 18 -2.128 -21.038 4.135 1.00 0.00 N ATOM 0 H HIS A 18 -3.137 -17.861 3.960 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.184 -16.177 5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.614 -17.531 2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.325 -17.527 4.077 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.456 -18.679 6.186 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.498 -20.125 2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.421 -21.044 6.252 1.00 0.00 H new ATOM 264 N ILE A 19 -0.508 -14.473 3.415 1.00 0.00 N ATOM 265 CA ILE A 19 -0.369 -13.303 2.556 1.00 0.00 C ATOM 266 C ILE A 19 0.790 -13.493 1.582 1.00 0.00 C ATOM 267 O ILE A 19 1.813 -14.083 1.928 1.00 0.00 O ATOM 268 CB ILE A 19 -0.127 -12.055 3.407 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.097 -12.048 4.590 1.00 0.00 C ATOM 270 CG2 ILE A 19 -0.352 -10.804 2.556 1.00 0.00 C ATOM 271 CD1 ILE A 19 -2.533 -12.151 4.074 1.00 0.00 C ATOM 0 H ILE A 19 0.236 -14.586 4.104 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.291 -13.178 1.988 1.00 0.00 H new ATOM 0 HB ILE A 19 0.898 -12.062 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.879 -12.881 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.973 -11.134 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.179 -9.915 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.339 -10.808 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.377 -10.796 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.224 -12.146 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.748 -11.303 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.652 -13.078 3.513 1.00 0.00 H new ATOM 283 N VAL A 20 0.623 -12.989 0.365 1.00 0.00 N ATOM 284 CA VAL A 20 1.664 -13.111 -0.650 1.00 0.00 C ATOM 285 C VAL A 20 2.547 -11.867 -0.665 1.00 0.00 C ATOM 286 O VAL A 20 2.074 -10.755 -0.431 1.00 0.00 O ATOM 287 CB VAL A 20 1.029 -13.303 -2.028 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.128 -13.444 -3.083 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.167 -14.568 -2.020 1.00 0.00 C ATOM 0 H VAL A 20 -0.215 -12.496 0.058 1.00 0.00 H new ATOM 0 HA VAL A 20 2.280 -13.977 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 20 0.408 -12.439 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.675 -13.581 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.743 -12.544 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.750 -14.307 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.286 -14.706 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.789 -15.431 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.617 -14.469 -1.269 1.00 0.00 H new ATOM 299 N ALA A 21 3.832 -12.063 -0.941 1.00 0.00 N ATOM 300 CA ALA A 21 4.772 -10.950 -0.984 1.00 0.00 C ATOM 301 C ALA A 21 5.702 -11.081 -2.186 1.00 0.00 C ATOM 302 O ALA A 21 6.193 -12.170 -2.487 1.00 0.00 O ATOM 303 CB ALA A 21 5.600 -10.915 0.302 1.00 0.00 C ATOM 0 H ALA A 21 4.244 -12.975 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 21 4.205 -10.024 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.300 -10.080 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.937 -10.791 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.154 -11.848 0.404 1.00 0.00 H new ATOM 309 N ASN A 22 5.941 -9.967 -2.868 1.00 0.00 N ATOM 310 CA ASN A 22 6.814 -9.971 -4.035 1.00 0.00 C ATOM 311 C ASN A 22 8.241 -10.325 -3.632 1.00 0.00 C ATOM 312 O ASN A 22 8.761 -9.812 -2.641 1.00 0.00 O ATOM 313 CB ASN A 22 6.799 -8.597 -4.706 1.00 0.00 C ATOM 314 CG ASN A 22 7.607 -8.641 -5.999 1.00 0.00 C ATOM 315 OD1 ASN A 22 8.219 -9.661 -6.314 1.00 0.00 O ATOM 316 ND2 ASN A 22 7.647 -7.588 -6.768 1.00 0.00 N ATOM 0 H ASN A 22 5.546 -9.056 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 22 6.447 -10.720 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.773 -8.298 -4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.216 -7.849 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.187 -7.609 -7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.139 -6.744 -6.504 1.00 0.00 H new ATOM 323 N GLU A 23 8.870 -11.203 -4.406 1.00 0.00 N ATOM 324 CA GLU A 23 10.238 -11.614 -4.116 1.00 0.00 C ATOM 325 C GLU A 23 11.085 -10.406 -3.733 1.00 0.00 C ATOM 326 O GLU A 23 12.005 -10.512 -2.923 1.00 0.00 O ATOM 327 CB GLU A 23 10.846 -12.305 -5.339 1.00 0.00 C ATOM 328 CG GLU A 23 12.366 -12.373 -5.181 1.00 0.00 C ATOM 329 CD GLU A 23 12.897 -13.655 -5.812 1.00 0.00 C ATOM 330 OE1 GLU A 23 12.182 -14.241 -6.608 1.00 0.00 O ATOM 331 OE2 GLU A 23 14.012 -14.032 -5.489 1.00 0.00 O ATOM 0 H GLU A 23 8.459 -11.640 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 23 10.222 -12.312 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.435 -13.309 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.588 -11.758 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.828 -11.506 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.632 -12.340 -4.125 1.00 0.00 H new ATOM 338 N LYS A 24 10.765 -9.255 -4.318 1.00 0.00 N ATOM 339 CA LYS A 24 11.500 -8.031 -4.026 1.00 0.00 C ATOM 340 C LYS A 24 11.195 -7.555 -2.611 1.00 0.00 C ATOM 341 O LYS A 24 12.071 -7.044 -1.912 1.00 0.00 O ATOM 342 CB LYS A 24 11.118 -6.939 -5.028 1.00 0.00 C ATOM 343 CG LYS A 24 11.909 -5.666 -4.725 1.00 0.00 C ATOM 344 CD LYS A 24 11.772 -4.689 -5.895 1.00 0.00 C ATOM 345 CE LYS A 24 13.037 -3.835 -5.998 1.00 0.00 C ATOM 346 NZ LYS A 24 13.272 -3.139 -4.701 1.00 0.00 N ATOM 0 H LYS A 24 10.007 -9.146 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 24 12.567 -8.239 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.325 -7.275 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.048 -6.737 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.541 -5.206 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.959 -5.908 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.614 -5.237 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.900 -4.051 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.893 -4.462 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.932 -3.105 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.939 -2.354 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.371 -2.766 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.670 -3.811 -4.014 1.00 0.00 H new ATOM 360 N TRP A 25 9.947 -7.730 -2.191 1.00 0.00 N ATOM 361 CA TRP A 25 9.535 -7.322 -0.857 1.00 0.00 C ATOM 362 C TRP A 25 10.200 -8.207 0.194 1.00 0.00 C ATOM 363 O TRP A 25 10.194 -7.892 1.383 1.00 0.00 O ATOM 364 CB TRP A 25 8.014 -7.428 -0.731 1.00 0.00 C ATOM 365 CG TRP A 25 7.482 -6.225 -0.021 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.680 -6.258 1.069 1.00 0.00 C ATOM 367 CD2 TRP A 25 7.694 -4.816 -0.329 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.387 -4.962 1.449 1.00 0.00 N ATOM 369 CE2 TRP A 25 6.989 -4.036 0.619 1.00 0.00 C ATOM 370 CE3 TRP A 25 8.423 -4.146 -1.328 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.005 -2.642 0.576 1.00 0.00 C ATOM 372 CZ3 TRP A 25 8.441 -2.742 -1.374 1.00 0.00 C ATOM 373 CH2 TRP A 25 7.734 -1.992 -0.423 1.00 0.00 C ATOM 0 H TRP A 25 9.207 -8.150 -2.754 1.00 0.00 H new ATOM 0 HA TRP A 25 9.841 -6.289 -0.694 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.562 -7.508 -1.720 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.747 -8.332 -0.184 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.327 -7.152 1.562 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.798 -4.719 2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 25 8.972 -4.714 -2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.458 -2.069 1.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.003 -2.237 -2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.753 -0.913 -0.463 1.00 0.00 H new ATOM 384 N ARG A 26 10.772 -9.317 -0.262 1.00 0.00 N ATOM 385 CA ARG A 26 11.442 -10.249 0.639 1.00 0.00 C ATOM 386 C ARG A 26 12.621 -9.573 1.331 1.00 0.00 C ATOM 387 O ARG A 26 12.852 -9.775 2.524 1.00 0.00 O ATOM 388 CB ARG A 26 11.937 -11.464 -0.149 1.00 0.00 C ATOM 389 CG ARG A 26 12.605 -12.457 0.806 1.00 0.00 C ATOM 390 CD ARG A 26 11.539 -13.166 1.644 1.00 0.00 C ATOM 391 NE ARG A 26 11.912 -14.559 1.859 1.00 0.00 N ATOM 392 CZ ARG A 26 12.814 -14.895 2.775 1.00 0.00 C ATOM 393 NH1 ARG A 26 13.387 -13.971 3.498 1.00 0.00 N ATOM 394 NH2 ARG A 26 13.129 -16.149 2.950 1.00 0.00 N ATOM 0 H ARG A 26 10.785 -9.592 -1.244 1.00 0.00 H new ATOM 0 HA ARG A 26 10.729 -10.571 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.103 -11.942 -0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.645 -11.149 -0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.182 -13.188 0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.305 -11.934 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.424 -12.661 2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.575 -13.114 1.139 1.00 0.00 H new ATOM 0 HE ARG A 26 11.473 -15.288 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.142 -12.990 3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.079 -14.230 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.683 -16.871 2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.821 -16.408 3.653 1.00 0.00 H new ATOM 408 N GLY A 27 13.365 -8.771 0.577 1.00 0.00 N ATOM 409 CA GLY A 27 14.518 -8.070 1.130 1.00 0.00 C ATOM 410 C GLY A 27 14.077 -6.967 2.085 1.00 0.00 C ATOM 411 O GLY A 27 14.508 -5.820 1.965 1.00 0.00 O ATOM 0 H GLY A 27 13.192 -8.591 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.160 -8.776 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.110 -7.641 0.322 1.00 0.00 H new ATOM 415 N SER A 28 13.216 -7.322 3.033 1.00 0.00 N ATOM 416 CA SER A 28 12.722 -6.353 4.003 1.00 0.00 C ATOM 417 C SER A 28 12.455 -7.025 5.345 1.00 0.00 C ATOM 418 O SER A 28 12.154 -8.217 5.404 1.00 0.00 O ATOM 419 CB SER A 28 11.433 -5.711 3.489 1.00 0.00 C ATOM 420 OG SER A 28 11.701 -4.375 3.087 1.00 0.00 O ATOM 0 H SER A 28 12.848 -8.266 3.150 1.00 0.00 H new ATOM 0 HA SER A 28 13.483 -5.585 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.038 -6.283 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.672 -5.722 4.269 1.00 0.00 H new ATOM 0 HG SER A 28 10.877 -3.962 2.755 1.00 0.00 H new ATOM 426 N GLN A 29 12.563 -6.251 6.418 1.00 0.00 N ATOM 427 CA GLN A 29 12.327 -6.781 7.756 1.00 0.00 C ATOM 428 C GLN A 29 10.831 -6.963 7.999 1.00 0.00 C ATOM 429 O GLN A 29 10.423 -7.732 8.869 1.00 0.00 O ATOM 430 CB GLN A 29 12.906 -5.826 8.802 1.00 0.00 C ATOM 431 CG GLN A 29 14.328 -5.429 8.398 1.00 0.00 C ATOM 432 CD GLN A 29 14.790 -4.233 9.225 1.00 0.00 C ATOM 433 OE1 GLN A 29 13.915 -3.538 9.899 1.00 0.00 O flip ATOM 434 NE2 GLN A 29 15.982 -3.923 9.257 1.00 0.00 N flip ATOM 0 H GLN A 29 12.810 -5.262 6.389 1.00 0.00 H new ATOM 0 HA GLN A 29 12.818 -7.751 7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.279 -4.938 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.915 -6.304 9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.006 -6.269 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.358 -5.181 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.665 -4.467 8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.286 -3.122 9.811 1.00 0.00 H new ATOM 443 N LEU A 30 10.021 -6.251 7.222 1.00 0.00 N ATOM 444 CA LEU A 30 8.572 -6.337 7.356 1.00 0.00 C ATOM 445 C LEU A 30 8.071 -7.707 6.904 1.00 0.00 C ATOM 446 O LEU A 30 7.409 -8.417 7.660 1.00 0.00 O ATOM 447 CB LEU A 30 7.917 -5.230 6.519 1.00 0.00 C ATOM 448 CG LEU A 30 6.614 -5.733 5.885 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.722 -6.361 6.959 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.879 -4.559 5.235 1.00 0.00 C ATOM 0 H LEU A 30 10.342 -5.611 6.496 1.00 0.00 H new ATOM 0 HA LEU A 30 8.303 -6.206 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.711 -4.364 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.604 -4.901 5.739 1.00 0.00 H new ATOM 0 HG LEU A 30 6.848 -6.483 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.798 -6.716 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.244 -7.199 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.488 -5.616 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.953 -4.915 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.649 -3.809 5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.511 -4.116 4.465 1.00 0.00 H new ATOM 462 N ALA A 31 8.388 -8.068 5.666 1.00 0.00 N ATOM 463 CA ALA A 31 7.963 -9.353 5.122 1.00 0.00 C ATOM 464 C ALA A 31 8.375 -10.495 6.044 1.00 0.00 C ATOM 465 O ALA A 31 7.679 -11.505 6.146 1.00 0.00 O ATOM 466 CB ALA A 31 8.579 -9.564 3.738 1.00 0.00 C ATOM 0 H ALA A 31 8.934 -7.494 5.024 1.00 0.00 H new ATOM 0 HA ALA A 31 6.876 -9.346 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.257 -10.526 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.254 -8.767 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.666 -9.550 3.818 1.00 0.00 H new ATOM 472 N GLN A 32 9.512 -10.334 6.711 1.00 0.00 N ATOM 473 CA GLN A 32 10.005 -11.365 7.618 1.00 0.00 C ATOM 474 C GLN A 32 9.327 -11.255 8.980 1.00 0.00 C ATOM 475 O GLN A 32 9.165 -12.251 9.685 1.00 0.00 O ATOM 476 CB GLN A 32 11.519 -11.232 7.787 1.00 0.00 C ATOM 477 CG GLN A 32 12.223 -11.837 6.572 1.00 0.00 C ATOM 478 CD GLN A 32 13.728 -11.620 6.681 1.00 0.00 C ATOM 479 OE1 GLN A 32 14.227 -10.547 6.342 1.00 0.00 O ATOM 480 NE2 GLN A 32 14.485 -12.581 7.137 1.00 0.00 N ATOM 0 H GLN A 32 10.106 -9.507 6.643 1.00 0.00 H new ATOM 0 HA GLN A 32 9.771 -12.339 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.793 -10.182 7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.840 -11.739 8.697 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.004 -12.903 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.846 -11.379 5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.069 -13.469 7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.493 -12.444 7.213 1.00 0.00 H new ATOM 489 N GLU A 33 8.930 -10.040 9.343 1.00 0.00 N ATOM 490 CA GLU A 33 8.270 -9.813 10.623 1.00 0.00 C ATOM 491 C GLU A 33 6.898 -10.480 10.643 1.00 0.00 C ATOM 492 O GLU A 33 6.429 -10.928 11.689 1.00 0.00 O ATOM 493 CB GLU A 33 8.115 -8.311 10.871 1.00 0.00 C ATOM 494 CG GLU A 33 9.409 -7.754 11.468 1.00 0.00 C ATOM 495 CD GLU A 33 9.420 -7.964 12.978 1.00 0.00 C ATOM 496 OE1 GLU A 33 8.360 -8.206 13.532 1.00 0.00 O ATOM 497 OE2 GLU A 33 10.489 -7.880 13.561 1.00 0.00 O ATOM 0 H GLU A 33 9.053 -9.203 8.773 1.00 0.00 H new ATOM 0 HA GLU A 33 8.884 -10.249 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.884 -7.800 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.281 -8.128 11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.269 -8.249 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.497 -6.692 11.240 1.00 0.00 H new ATOM 504 N MET A 34 6.261 -10.545 9.478 1.00 0.00 N ATOM 505 CA MET A 34 4.943 -11.162 9.371 1.00 0.00 C ATOM 506 C MET A 34 5.058 -12.682 9.443 1.00 0.00 C ATOM 507 O MET A 34 4.124 -13.366 9.862 1.00 0.00 O ATOM 508 CB MET A 34 4.286 -10.760 8.050 1.00 0.00 C ATOM 509 CG MET A 34 3.727 -9.341 8.169 1.00 0.00 C ATOM 510 SD MET A 34 4.853 -8.332 9.165 1.00 0.00 S ATOM 511 CE MET A 34 3.689 -7.939 10.493 1.00 0.00 C ATOM 0 H MET A 34 6.632 -10.181 8.601 1.00 0.00 H new ATOM 0 HA MET A 34 4.329 -10.815 10.202 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.014 -10.809 7.240 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.486 -11.458 7.802 1.00 0.00 H new ATOM 0 HG2 MET A 34 3.607 -8.902 7.179 1.00 0.00 H new ATOM 0 HG3 MET A 34 2.739 -9.365 8.629 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.217 -7.433 11.301 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.904 -7.288 10.108 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.244 -8.859 10.871 1.00 0.00 H new ATOM 521 N GLN A 35 6.211 -13.202 9.033 1.00 0.00 N ATOM 522 CA GLN A 35 6.440 -14.642 9.055 1.00 0.00 C ATOM 523 C GLN A 35 6.459 -15.162 10.487 1.00 0.00 C ATOM 524 O GLN A 35 6.484 -16.371 10.719 1.00 0.00 O ATOM 525 CB GLN A 35 7.773 -14.967 8.378 1.00 0.00 C ATOM 526 CG GLN A 35 7.530 -15.328 6.912 1.00 0.00 C ATOM 527 CD GLN A 35 8.814 -15.860 6.286 1.00 0.00 C ATOM 528 OE1 GLN A 35 9.818 -15.149 6.227 1.00 0.00 O ATOM 529 NE2 GLN A 35 8.844 -17.075 5.811 1.00 0.00 N ATOM 0 H GLN A 35 6.996 -12.652 8.684 1.00 0.00 H new ATOM 0 HA GLN A 35 5.627 -15.127 8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.445 -14.111 8.446 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.260 -15.796 8.891 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.742 -16.078 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.186 -14.450 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.012 -17.663 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.700 -17.437 5.390 1.00 0.00 H new ATOM 538 N GLY A 36 6.451 -14.243 11.447 1.00 0.00 N ATOM 539 CA GLY A 36 6.471 -14.623 12.854 1.00 0.00 C ATOM 540 C GLY A 36 5.057 -14.736 13.413 1.00 0.00 C ATOM 541 O GLY A 36 4.806 -15.507 14.340 1.00 0.00 O ATOM 0 H GLY A 36 6.431 -13.237 11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.988 -15.576 12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.033 -13.884 13.425 1.00 0.00 H new ATOM 545 N LYS A 37 4.135 -13.960 12.849 1.00 0.00 N ATOM 546 CA LYS A 37 2.752 -13.983 13.309 1.00 0.00 C ATOM 547 C LYS A 37 1.864 -14.751 12.333 1.00 0.00 C ATOM 548 O LYS A 37 1.089 -15.617 12.739 1.00 0.00 O ATOM 549 CB LYS A 37 2.228 -12.554 13.462 1.00 0.00 C ATOM 550 CG LYS A 37 2.597 -12.023 14.850 1.00 0.00 C ATOM 551 CD LYS A 37 1.387 -12.139 15.781 1.00 0.00 C ATOM 552 CE LYS A 37 0.385 -11.027 15.466 1.00 0.00 C ATOM 553 NZ LYS A 37 0.129 -10.224 16.697 1.00 0.00 N ATOM 0 H LYS A 37 4.319 -13.314 12.081 1.00 0.00 H new ATOM 0 HA LYS A 37 2.724 -14.488 14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.655 -11.914 12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.146 -12.535 13.329 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.436 -12.588 15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.917 -10.983 14.780 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.914 -13.113 15.658 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.708 -12.069 16.820 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.774 -10.386 14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.547 -11.456 15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.552 -9.468 16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.260 -10.840 17.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.020 -9.803 17.029 1.00 0.00 H new ATOM 567 N ILE A 38 1.977 -14.430 11.047 1.00 0.00 N ATOM 568 CA ILE A 38 1.169 -15.105 10.035 1.00 0.00 C ATOM 569 C ILE A 38 2.055 -15.746 8.970 1.00 0.00 C ATOM 570 O ILE A 38 3.270 -15.542 8.950 1.00 0.00 O ATOM 571 CB ILE A 38 0.200 -14.109 9.386 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.128 -14.811 9.098 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.789 -13.579 8.075 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.883 -14.052 8.006 1.00 0.00 C ATOM 0 H ILE A 38 2.610 -13.717 10.684 1.00 0.00 H new ATOM 0 HA ILE A 38 0.597 -15.894 10.523 1.00 0.00 H new ATOM 0 HB ILE A 38 0.038 -13.273 10.067 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.947 -15.838 8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.730 -14.858 10.005 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.093 -12.873 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.735 -13.077 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.959 -14.410 7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.829 -14.554 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.077 -13.033 8.339 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.282 -14.028 7.097 1.00 0.00 H new ATOM 586 N LYS A 39 1.436 -16.523 8.088 1.00 0.00 N ATOM 587 CA LYS A 39 2.168 -17.195 7.022 1.00 0.00 C ATOM 588 C LYS A 39 2.316 -16.276 5.812 1.00 0.00 C ATOM 589 O LYS A 39 1.334 -15.722 5.318 1.00 0.00 O ATOM 590 CB LYS A 39 1.427 -18.470 6.615 1.00 0.00 C ATOM 591 CG LYS A 39 2.260 -19.249 5.595 1.00 0.00 C ATOM 592 CD LYS A 39 1.647 -20.636 5.394 1.00 0.00 C ATOM 593 CE LYS A 39 2.394 -21.370 4.279 1.00 0.00 C ATOM 594 NZ LYS A 39 3.544 -22.118 4.862 1.00 0.00 N ATOM 0 H LYS A 39 0.432 -16.702 8.090 1.00 0.00 H new ATOM 0 HA LYS A 39 3.162 -17.452 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.239 -19.088 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.456 -18.217 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.291 -18.712 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.289 -19.341 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.703 -21.207 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.591 -20.545 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.721 -22.058 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.749 -20.658 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.053 -22.618 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.190 -21.451 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.193 -22.808 5.557 1.00 0.00 H new ATOM 608 N LEU A 40 3.550 -16.113 5.342 1.00 0.00 N ATOM 609 CA LEU A 40 3.812 -15.252 4.194 1.00 0.00 C ATOM 610 C LEU A 40 4.411 -16.054 3.042 1.00 0.00 C ATOM 611 O LEU A 40 5.379 -16.793 3.225 1.00 0.00 O ATOM 612 CB LEU A 40 4.776 -14.133 4.591 1.00 0.00 C ATOM 613 CG LEU A 40 4.782 -13.054 3.505 1.00 0.00 C ATOM 614 CD1 LEU A 40 3.525 -12.190 3.636 1.00 0.00 C ATOM 615 CD2 LEU A 40 6.027 -12.174 3.663 1.00 0.00 C ATOM 0 H LEU A 40 4.377 -16.562 5.735 1.00 0.00 H new ATOM 0 HA LEU A 40 2.866 -14.821 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.475 -13.701 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.780 -14.535 4.725 1.00 0.00 H new ATOM 0 HG LEU A 40 4.796 -13.528 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.529 -11.422 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.640 -12.816 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.510 -11.717 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.030 -11.406 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.015 -11.700 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.922 -12.789 3.568 1.00 0.00 H new ATOM 627 N ILE A 41 3.832 -15.899 1.856 1.00 0.00 N ATOM 628 CA ILE A 41 4.319 -16.610 0.679 1.00 0.00 C ATOM 629 C ILE A 41 5.010 -15.642 -0.276 1.00 0.00 C ATOM 630 O ILE A 41 4.559 -14.512 -0.463 1.00 0.00 O ATOM 631 CB ILE A 41 3.156 -17.296 -0.038 1.00 0.00 C ATOM 632 CG1 ILE A 41 2.088 -17.691 0.984 1.00 0.00 C ATOM 633 CG2 ILE A 41 3.666 -18.552 -0.749 1.00 0.00 C ATOM 634 CD1 ILE A 41 0.871 -18.266 0.258 1.00 0.00 C ATOM 0 H ILE A 41 3.031 -15.292 1.684 1.00 0.00 H new ATOM 0 HA ILE A 41 5.037 -17.364 1.002 1.00 0.00 H new ATOM 0 HB ILE A 41 2.726 -16.611 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.491 -18.427 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.795 -16.822 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.838 -19.042 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.428 -18.274 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.096 -19.236 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.111 -18.547 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.464 -17.516 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.170 -19.146 -0.312 1.00 0.00 H new ATOM 646 N PHE A 42 6.108 -16.090 -0.875 1.00 0.00 N ATOM 647 CA PHE A 42 6.854 -15.251 -1.805 1.00 0.00 C ATOM 648 C PHE A 42 6.592 -15.678 -3.247 1.00 0.00 C ATOM 649 O PHE A 42 6.713 -16.854 -3.589 1.00 0.00 O ATOM 650 CB PHE A 42 8.352 -15.347 -1.509 1.00 0.00 C ATOM 651 CG PHE A 42 8.567 -15.410 -0.016 1.00 0.00 C ATOM 652 CD1 PHE A 42 8.426 -14.254 0.761 1.00 0.00 C ATOM 653 CD2 PHE A 42 8.908 -16.625 0.591 1.00 0.00 C ATOM 654 CE1 PHE A 42 8.625 -14.313 2.146 1.00 0.00 C ATOM 655 CE2 PHE A 42 9.107 -16.684 1.976 1.00 0.00 C ATOM 656 CZ PHE A 42 8.966 -15.528 2.754 1.00 0.00 C ATOM 0 H PHE A 42 6.499 -17.022 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 42 6.522 -14.221 -1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.772 -16.233 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.872 -14.485 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.164 -13.317 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.018 -17.516 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.516 -13.421 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.369 -17.621 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.120 -15.573 3.822 1.00 0.00 H new ATOM 666 N GLU A 43 6.236 -14.711 -4.088 1.00 0.00 N ATOM 667 CA GLU A 43 5.962 -14.996 -5.491 1.00 0.00 C ATOM 668 C GLU A 43 6.720 -14.024 -6.390 1.00 0.00 C ATOM 669 O GLU A 43 6.440 -12.826 -6.401 1.00 0.00 O ATOM 670 CB GLU A 43 4.459 -14.883 -5.765 1.00 0.00 C ATOM 671 CG GLU A 43 3.899 -16.259 -6.136 1.00 0.00 C ATOM 672 CD GLU A 43 2.409 -16.150 -6.440 1.00 0.00 C ATOM 673 OE1 GLU A 43 2.069 -15.512 -7.423 1.00 0.00 O ATOM 674 OE2 GLU A 43 1.628 -16.705 -5.685 1.00 0.00 O ATOM 0 H GLU A 43 6.131 -13.731 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 43 6.294 -16.011 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.947 -14.496 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.279 -14.176 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.428 -16.654 -7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.061 -16.960 -5.317 1.00 0.00 H new ATOM 681 N ASP A 44 7.682 -14.550 -7.141 1.00 0.00 N ATOM 682 CA ASP A 44 8.477 -13.720 -8.039 1.00 0.00 C ATOM 683 C ASP A 44 7.667 -13.344 -9.275 1.00 0.00 C ATOM 684 O ASP A 44 7.093 -14.206 -9.940 1.00 0.00 O ATOM 685 CB ASP A 44 9.740 -14.472 -8.462 1.00 0.00 C ATOM 686 CG ASP A 44 10.669 -13.540 -9.235 1.00 0.00 C ATOM 687 OD1 ASP A 44 11.488 -12.895 -8.602 1.00 0.00 O ATOM 688 OD2 ASP A 44 10.546 -13.485 -10.447 1.00 0.00 O ATOM 0 H ASP A 44 7.929 -15.540 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 44 8.758 -12.809 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.252 -14.862 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.473 -15.328 -9.081 1.00 0.00 H new ATOM 693 N GLY A 45 7.626 -12.051 -9.578 1.00 0.00 N ATOM 694 CA GLY A 45 6.882 -11.570 -10.736 1.00 0.00 C ATOM 695 C GLY A 45 5.871 -10.506 -10.326 1.00 0.00 C ATOM 696 O GLY A 45 5.781 -9.449 -10.950 1.00 0.00 O ATOM 0 H GLY A 45 8.096 -11.322 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.572 -11.158 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.366 -12.403 -11.214 1.00 0.00 H new ATOM 700 N LEU A 46 5.115 -10.791 -9.271 1.00 0.00 N ATOM 701 CA LEU A 46 4.116 -9.848 -8.784 1.00 0.00 C ATOM 702 C LEU A 46 4.711 -8.447 -8.686 1.00 0.00 C ATOM 703 O LEU A 46 5.902 -8.287 -8.420 1.00 0.00 O ATOM 704 CB LEU A 46 3.606 -10.289 -7.411 1.00 0.00 C ATOM 705 CG LEU A 46 2.490 -11.319 -7.584 1.00 0.00 C ATOM 706 CD1 LEU A 46 2.991 -12.478 -8.449 1.00 0.00 C ATOM 707 CD2 LEU A 46 2.073 -11.853 -6.211 1.00 0.00 C ATOM 0 H LEU A 46 5.174 -11.660 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 46 3.284 -9.829 -9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.422 -10.717 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.236 -9.427 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 46 1.635 -10.848 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.194 -13.212 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.289 -12.100 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.847 -12.949 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.277 -12.588 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.930 -12.323 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.715 -11.029 -5.594 1.00 0.00 H new ATOM 719 N THR A 47 3.877 -7.435 -8.903 1.00 0.00 N ATOM 720 CA THR A 47 4.338 -6.053 -8.837 1.00 0.00 C ATOM 721 C THR A 47 3.981 -5.430 -7.491 1.00 0.00 C ATOM 722 O THR A 47 4.817 -4.799 -6.845 1.00 0.00 O ATOM 723 CB THR A 47 3.703 -5.236 -9.968 1.00 0.00 C ATOM 724 OG1 THR A 47 2.950 -6.099 -10.807 1.00 0.00 O ATOM 725 CG2 THR A 47 4.800 -4.552 -10.787 1.00 0.00 C ATOM 0 H THR A 47 2.887 -7.544 -9.124 1.00 0.00 H new ATOM 0 HA THR A 47 5.422 -6.046 -8.949 1.00 0.00 H new ATOM 0 HB THR A 47 3.046 -4.477 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.542 -5.578 -11.530 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.346 -3.972 -11.590 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.376 -3.889 -10.141 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.460 -5.307 -11.213 1.00 0.00 H new ATOM 733 N PRO A 48 2.758 -5.596 -7.065 1.00 0.00 N ATOM 734 CA PRO A 48 2.271 -5.039 -5.769 1.00 0.00 C ATOM 735 C PRO A 48 3.138 -5.480 -4.590 1.00 0.00 C ATOM 736 O PRO A 48 4.076 -6.258 -4.754 1.00 0.00 O ATOM 737 CB PRO A 48 0.849 -5.593 -5.635 1.00 0.00 C ATOM 738 CG PRO A 48 0.431 -5.972 -7.018 1.00 0.00 C ATOM 739 CD PRO A 48 1.705 -6.333 -7.777 1.00 0.00 C ATOM 0 HA PRO A 48 2.308 -3.950 -5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.826 -6.455 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.176 -4.846 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.259 -6.816 -6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.089 -5.147 -7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.889 -7.407 -7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.645 -6.034 -8.824 1.00 0.00 H new ATOM 747 N ASP A 49 2.812 -4.977 -3.402 1.00 0.00 N ATOM 748 CA ASP A 49 3.564 -5.323 -2.201 1.00 0.00 C ATOM 749 C ASP A 49 3.008 -6.598 -1.573 1.00 0.00 C ATOM 750 O ASP A 49 3.734 -7.571 -1.371 1.00 0.00 O ATOM 751 CB ASP A 49 3.487 -4.178 -1.189 1.00 0.00 C ATOM 752 CG ASP A 49 4.590 -3.162 -1.467 1.00 0.00 C ATOM 753 OD1 ASP A 49 5.713 -3.582 -1.689 1.00 0.00 O ATOM 754 OD2 ASP A 49 4.294 -1.978 -1.453 1.00 0.00 O ATOM 0 H ASP A 49 2.037 -4.332 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 49 4.604 -5.491 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.512 -3.694 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.588 -4.569 -0.177 1.00 0.00 H new ATOM 759 N PHE A 50 1.715 -6.583 -1.268 1.00 0.00 N ATOM 760 CA PHE A 50 1.068 -7.742 -0.666 1.00 0.00 C ATOM 761 C PHE A 50 -0.202 -8.099 -1.433 1.00 0.00 C ATOM 762 O PHE A 50 -0.914 -7.220 -1.915 1.00 0.00 O ATOM 763 CB PHE A 50 0.721 -7.448 0.795 1.00 0.00 C ATOM 764 CG PHE A 50 1.990 -7.358 1.605 1.00 0.00 C ATOM 765 CD1 PHE A 50 2.795 -8.490 1.773 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.364 -6.141 2.188 1.00 0.00 C ATOM 767 CE1 PHE A 50 3.974 -8.407 2.523 1.00 0.00 C ATOM 768 CE2 PHE A 50 3.542 -6.058 2.939 1.00 0.00 C ATOM 769 CZ PHE A 50 4.347 -7.190 3.106 1.00 0.00 C ATOM 0 H PHE A 50 1.098 -5.786 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 50 1.757 -8.586 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.164 -6.514 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.078 -8.233 1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.506 -9.429 1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.744 -5.267 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.595 -9.281 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.830 -5.120 3.390 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.256 -7.125 3.685 1.00 0.00 H new ATOM 779 N TYR A 51 -0.476 -9.395 -1.548 1.00 0.00 N ATOM 780 CA TYR A 51 -1.662 -9.850 -2.264 1.00 0.00 C ATOM 781 C TYR A 51 -2.614 -10.579 -1.322 1.00 0.00 C ATOM 782 O TYR A 51 -2.339 -11.698 -0.889 1.00 0.00 O ATOM 783 CB TYR A 51 -1.256 -10.782 -3.410 1.00 0.00 C ATOM 784 CG TYR A 51 -1.914 -10.328 -4.692 1.00 0.00 C ATOM 785 CD1 TYR A 51 -3.301 -10.144 -4.740 1.00 0.00 C ATOM 786 CD2 TYR A 51 -1.137 -10.091 -5.833 1.00 0.00 C ATOM 787 CE1 TYR A 51 -3.911 -9.722 -5.928 1.00 0.00 C ATOM 788 CE2 TYR A 51 -1.747 -9.668 -7.020 1.00 0.00 C ATOM 789 CZ TYR A 51 -3.134 -9.485 -7.067 1.00 0.00 C ATOM 790 OH TYR A 51 -3.735 -9.068 -8.238 1.00 0.00 O ATOM 0 H TYR A 51 0.100 -10.141 -1.159 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.174 -8.977 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.172 -10.781 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.551 -11.806 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.901 -10.328 -3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.067 -10.235 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.981 -9.580 -5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.148 -9.483 -7.899 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.053 -8.948 -8.931 1.00 0.00 H new ATOM 800 N LEU A 52 -3.734 -9.935 -1.012 1.00 0.00 N ATOM 801 CA LEU A 52 -4.724 -10.527 -0.122 1.00 0.00 C ATOM 802 C LEU A 52 -5.416 -11.704 -0.801 1.00 0.00 C ATOM 803 O LEU A 52 -5.707 -12.718 -0.166 1.00 0.00 O ATOM 804 CB LEU A 52 -5.767 -9.475 0.267 1.00 0.00 C ATOM 805 CG LEU A 52 -6.092 -9.601 1.757 1.00 0.00 C ATOM 806 CD1 LEU A 52 -5.007 -8.903 2.579 1.00 0.00 C ATOM 807 CD2 LEU A 52 -7.445 -8.944 2.038 1.00 0.00 C ATOM 0 H LEU A 52 -3.978 -9.008 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.216 -10.886 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.389 -8.476 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.672 -9.609 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.133 -10.655 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.240 -8.993 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.042 -9.369 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.965 -7.849 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.679 -9.032 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.402 -7.890 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.219 -9.441 1.453 1.00 0.00 H new ATOM 819 N SER A 53 -5.675 -11.561 -2.097 1.00 0.00 N ATOM 820 CA SER A 53 -6.334 -12.617 -2.856 1.00 0.00 C ATOM 821 C SER A 53 -6.078 -12.439 -4.349 1.00 0.00 C ATOM 822 O SER A 53 -4.992 -12.026 -4.758 1.00 0.00 O ATOM 823 CB SER A 53 -7.838 -12.591 -2.589 1.00 0.00 C ATOM 824 OG SER A 53 -8.065 -12.469 -1.190 1.00 0.00 O ATOM 0 H SER A 53 -5.440 -10.730 -2.640 1.00 0.00 H new ATOM 0 HA SER A 53 -5.926 -13.577 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.299 -11.757 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.302 -13.502 -2.966 1.00 0.00 H new ATOM 0 HG SER A 53 -7.334 -12.901 -0.701 1.00 0.00 H new ATOM 830 N ASN A 54 -7.084 -12.753 -5.156 1.00 0.00 N ATOM 831 CA ASN A 54 -6.959 -12.623 -6.604 1.00 0.00 C ATOM 832 C ASN A 54 -7.885 -11.530 -7.126 1.00 0.00 C ATOM 833 O ASN A 54 -8.198 -11.484 -8.316 1.00 0.00 O ATOM 834 CB ASN A 54 -7.302 -13.951 -7.282 1.00 0.00 C ATOM 835 CG ASN A 54 -6.971 -15.114 -6.354 1.00 0.00 C ATOM 836 OD1 ASN A 54 -5.856 -15.200 -5.838 1.00 0.00 O ATOM 837 ND2 ASN A 54 -7.878 -16.019 -6.109 1.00 0.00 N ATOM 0 H ASN A 54 -7.989 -13.097 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.929 -12.353 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -8.360 -13.973 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.743 -14.048 -8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.665 -16.800 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.801 -15.945 -6.538 1.00 0.00 H new ATOM 844 N ARG A 55 -8.323 -10.653 -6.229 1.00 0.00 N ATOM 845 CA ARG A 55 -9.215 -9.565 -6.613 1.00 0.00 C ATOM 846 C ARG A 55 -8.906 -8.307 -5.806 1.00 0.00 C ATOM 847 O ARG A 55 -9.656 -7.332 -5.847 1.00 0.00 O ATOM 848 CB ARG A 55 -10.671 -9.977 -6.382 1.00 0.00 C ATOM 849 CG ARG A 55 -11.384 -10.127 -7.729 1.00 0.00 C ATOM 850 CD ARG A 55 -12.822 -10.594 -7.497 1.00 0.00 C ATOM 851 NE ARG A 55 -13.707 -9.444 -7.351 1.00 0.00 N ATOM 852 CZ ARG A 55 -15.012 -9.602 -7.152 1.00 0.00 C ATOM 853 NH1 ARG A 55 -15.522 -10.801 -7.085 1.00 0.00 N ATOM 854 NH2 ARG A 55 -15.783 -8.556 -7.025 1.00 0.00 N ATOM 0 H ARG A 55 -8.078 -10.673 -5.239 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.061 -9.351 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.710 -10.917 -5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.178 -9.230 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.381 -9.176 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.854 -10.845 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.151 -11.212 -8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.871 -11.216 -6.603 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.318 -8.502 -7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.919 -11.618 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.523 -10.922 -6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.384 -7.619 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.784 -8.676 -6.872 1.00 0.00 H new ATOM 868 N CYS A 56 -7.797 -8.336 -5.074 1.00 0.00 N ATOM 869 CA CYS A 56 -7.402 -7.190 -4.263 1.00 0.00 C ATOM 870 C CYS A 56 -5.938 -7.299 -3.854 1.00 0.00 C ATOM 871 O CYS A 56 -5.430 -8.394 -3.612 1.00 0.00 O ATOM 872 CB CYS A 56 -8.276 -7.108 -3.009 1.00 0.00 C ATOM 873 SG CYS A 56 -7.859 -5.611 -2.082 1.00 0.00 S ATOM 0 H CYS A 56 -7.161 -9.132 -5.025 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.535 -6.288 -4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.330 -7.095 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.122 -7.989 -2.386 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.452 -4.587 -2.621 1.00 0.00 H new ATOM 879 N CYS A 57 -5.268 -6.155 -3.774 1.00 0.00 N ATOM 880 CA CYS A 57 -3.862 -6.128 -3.389 1.00 0.00 C ATOM 881 C CYS A 57 -3.562 -4.878 -2.570 1.00 0.00 C ATOM 882 O CYS A 57 -4.413 -3.999 -2.429 1.00 0.00 O ATOM 883 CB CYS A 57 -2.975 -6.151 -4.635 1.00 0.00 C ATOM 884 SG CYS A 57 -3.974 -5.767 -6.095 1.00 0.00 S ATOM 0 H CYS A 57 -5.673 -5.239 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.652 -7.009 -2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.168 -5.426 -4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.511 -7.131 -4.746 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.220 -5.785 -7.154 1.00 0.00 H new ATOM 890 N ILE A 58 -2.352 -4.804 -2.029 1.00 0.00 N ATOM 891 CA ILE A 58 -1.960 -3.653 -1.224 1.00 0.00 C ATOM 892 C ILE A 58 -0.605 -3.116 -1.674 1.00 0.00 C ATOM 893 O ILE A 58 0.376 -3.857 -1.744 1.00 0.00 O ATOM 894 CB ILE A 58 -1.892 -4.047 0.251 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.285 -4.462 0.731 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.404 -2.856 1.077 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.163 -5.640 1.700 1.00 0.00 C ATOM 0 H ILE A 58 -1.632 -5.519 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.707 -2.871 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.200 -4.880 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.776 -3.623 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.906 -4.741 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.356 -3.138 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.413 -2.558 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.095 -2.022 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.155 -5.935 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.689 -6.481 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.557 -5.345 2.557 1.00 0.00 H new ATOM 909 N LEU A 59 -0.558 -1.822 -1.974 1.00 0.00 N ATOM 910 CA LEU A 59 0.681 -1.191 -2.412 1.00 0.00 C ATOM 911 C LEU A 59 1.122 -0.136 -1.403 1.00 0.00 C ATOM 912 O LEU A 59 0.414 0.843 -1.163 1.00 0.00 O ATOM 913 CB LEU A 59 0.482 -0.542 -3.786 1.00 0.00 C ATOM 914 CG LEU A 59 1.398 -1.211 -4.814 1.00 0.00 C ATOM 915 CD1 LEU A 59 0.864 -0.949 -6.223 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.810 -0.632 -4.690 1.00 0.00 C ATOM 0 H LEU A 59 -1.359 -1.193 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 59 1.455 -1.955 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.559 -0.638 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.701 0.524 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 59 1.426 -2.285 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.517 -1.426 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.142 -1.359 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.836 0.125 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.464 -1.107 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.780 0.442 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.193 -0.818 -3.686 1.00 0.00 H new ATOM 928 N TYR A 60 2.291 -0.347 -0.808 1.00 0.00 N ATOM 929 CA TYR A 60 2.812 0.588 0.183 1.00 0.00 C ATOM 930 C TYR A 60 3.618 1.698 -0.485 1.00 0.00 C ATOM 931 O TYR A 60 4.645 1.442 -1.112 1.00 0.00 O ATOM 932 CB TYR A 60 3.696 -0.155 1.186 1.00 0.00 C ATOM 933 CG TYR A 60 4.135 0.797 2.272 1.00 0.00 C ATOM 934 CD1 TYR A 60 3.352 0.958 3.422 1.00 0.00 C ATOM 935 CD2 TYR A 60 5.326 1.522 2.130 1.00 0.00 C ATOM 936 CE1 TYR A 60 3.759 1.842 4.430 1.00 0.00 C ATOM 937 CE2 TYR A 60 5.732 2.405 3.137 1.00 0.00 C ATOM 938 CZ TYR A 60 4.949 2.565 4.286 1.00 0.00 C ATOM 939 OH TYR A 60 5.350 3.436 5.279 1.00 0.00 O ATOM 0 H TYR A 60 2.892 -1.150 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 60 1.967 1.038 0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.148 -0.991 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.566 -0.573 0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.434 0.400 3.532 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.930 1.399 1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.155 1.965 5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.650 2.963 3.027 1.00 0.00 H new ATOM 0 HH TYR A 60 6.197 3.857 5.023 1.00 0.00 H new ATOM 949 N VAL A 61 3.145 2.931 -0.336 1.00 0.00 N ATOM 950 CA VAL A 61 3.829 4.080 -0.918 1.00 0.00 C ATOM 951 C VAL A 61 4.670 4.779 0.146 1.00 0.00 C ATOM 952 O VAL A 61 4.328 4.762 1.327 1.00 0.00 O ATOM 953 CB VAL A 61 2.808 5.064 -1.495 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.526 6.330 -1.964 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.091 4.415 -2.681 1.00 0.00 C ATOM 0 H VAL A 61 2.295 3.160 0.180 1.00 0.00 H new ATOM 0 HA VAL A 61 4.480 3.731 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 61 2.080 5.324 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.798 7.030 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.038 6.792 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.255 6.072 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.363 5.114 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.820 4.155 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.578 3.513 -2.347 1.00 0.00 H new ATOM 965 N THR A 62 5.773 5.387 -0.277 1.00 0.00 N ATOM 966 CA THR A 62 6.652 6.079 0.659 1.00 0.00 C ATOM 967 C THR A 62 6.797 7.549 0.281 1.00 0.00 C ATOM 968 O THR A 62 6.601 7.926 -0.875 1.00 0.00 O ATOM 969 CB THR A 62 8.029 5.414 0.669 1.00 0.00 C ATOM 970 OG1 THR A 62 8.901 6.119 -0.203 1.00 0.00 O ATOM 971 CG2 THR A 62 7.900 3.963 0.201 1.00 0.00 C ATOM 0 H THR A 62 6.077 5.415 -1.250 1.00 0.00 H new ATOM 0 HA THR A 62 6.210 6.017 1.653 1.00 0.00 H new ATOM 0 HB THR A 62 8.434 5.433 1.681 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.671 5.912 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.882 3.490 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.232 3.423 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.495 3.942 -0.811 1.00 0.00 H new ATOM 979 N GLU A 63 7.141 8.373 1.264 1.00 0.00 N ATOM 980 CA GLU A 63 7.312 9.802 1.027 1.00 0.00 C ATOM 981 C GLU A 63 8.138 10.041 -0.233 1.00 0.00 C ATOM 982 O GLU A 63 7.798 10.891 -1.057 1.00 0.00 O ATOM 983 CB GLU A 63 8.009 10.449 2.225 1.00 0.00 C ATOM 984 CG GLU A 63 9.478 10.026 2.251 1.00 0.00 C ATOM 985 CD GLU A 63 10.076 10.298 3.626 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.934 11.413 4.101 1.00 0.00 O ATOM 987 OE2 GLU A 63 10.668 9.389 4.184 1.00 0.00 O ATOM 0 H GLU A 63 7.306 8.079 2.227 1.00 0.00 H new ATOM 0 HA GLU A 63 6.327 10.250 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.933 11.534 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.517 10.150 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.564 8.966 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.035 10.571 1.489 1.00 0.00 H new ATOM 994 N ALA A 64 9.224 9.288 -0.376 1.00 0.00 N ATOM 995 CA ALA A 64 10.092 9.427 -1.540 1.00 0.00 C ATOM 996 C ALA A 64 9.281 9.353 -2.829 1.00 0.00 C ATOM 997 O ALA A 64 9.733 9.796 -3.885 1.00 0.00 O ATOM 998 CB ALA A 64 11.149 8.321 -1.538 1.00 0.00 C ATOM 0 H ALA A 64 9.523 8.580 0.295 1.00 0.00 H new ATOM 0 HA ALA A 64 10.581 10.400 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.793 8.432 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.750 8.394 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.658 7.348 -1.571 1.00 0.00 H new ATOM 1004 N ASP A 65 8.081 8.788 -2.737 1.00 0.00 N ATOM 1005 CA ASP A 65 7.217 8.660 -3.904 1.00 0.00 C ATOM 1006 C ASP A 65 6.514 9.981 -4.202 1.00 0.00 C ATOM 1007 O ASP A 65 6.572 10.486 -5.323 1.00 0.00 O ATOM 1008 CB ASP A 65 6.174 7.567 -3.663 1.00 0.00 C ATOM 1009 CG ASP A 65 6.834 6.350 -3.024 1.00 0.00 C ATOM 1010 OD1 ASP A 65 7.863 6.521 -2.391 1.00 0.00 O ATOM 1011 OD2 ASP A 65 6.299 5.263 -3.175 1.00 0.00 O ATOM 0 H ASP A 65 7.688 8.414 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 65 7.835 8.391 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.383 7.944 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.706 7.284 -4.606 1.00 0.00 H new ATOM 1016 N LEU A 66 5.849 10.533 -3.193 1.00 0.00 N ATOM 1017 CA LEU A 66 5.136 11.796 -3.360 1.00 0.00 C ATOM 1018 C LEU A 66 6.080 12.885 -3.859 1.00 0.00 C ATOM 1019 O LEU A 66 5.781 13.580 -4.831 1.00 0.00 O ATOM 1020 CB LEU A 66 4.508 12.224 -2.030 1.00 0.00 C ATOM 1021 CG LEU A 66 4.039 13.678 -2.130 1.00 0.00 C ATOM 1022 CD1 LEU A 66 2.642 13.823 -1.517 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.020 14.580 -1.376 1.00 0.00 C ATOM 0 H LEU A 66 5.788 10.130 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 66 4.349 11.651 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.666 11.575 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.233 12.120 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 66 4.000 13.969 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.317 14.861 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.941 13.183 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.673 13.528 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.689 15.616 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.058 14.281 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.013 14.486 -1.816 1.00 0.00 H new ATOM 1035 N VAL A 67 7.218 13.033 -3.188 1.00 0.00 N ATOM 1036 CA VAL A 67 8.194 14.046 -3.573 1.00 0.00 C ATOM 1037 C VAL A 67 8.549 13.919 -5.052 1.00 0.00 C ATOM 1038 O VAL A 67 9.155 14.820 -5.633 1.00 0.00 O ATOM 1039 CB VAL A 67 9.462 13.902 -2.731 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.397 15.080 -3.012 1.00 0.00 C ATOM 1041 CG2 VAL A 67 9.090 13.890 -1.246 1.00 0.00 C ATOM 0 H VAL A 67 7.486 12.469 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 67 7.752 15.027 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 67 9.964 12.969 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.301 14.978 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.662 15.090 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.895 16.013 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.994 13.787 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.588 14.823 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.423 13.051 -1.045 1.00 0.00 H new ATOM 1051 N ALA A 68 8.171 12.797 -5.655 1.00 0.00 N ATOM 1052 CA ALA A 68 8.458 12.569 -7.067 1.00 0.00 C ATOM 1053 C ALA A 68 7.449 11.600 -7.674 1.00 0.00 C ATOM 1054 O ALA A 68 7.790 10.797 -8.542 1.00 0.00 O ATOM 1055 CB ALA A 68 9.871 12.005 -7.228 1.00 0.00 C ATOM 0 H ALA A 68 7.670 12.038 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 68 8.385 13.523 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.078 11.837 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.594 12.714 -6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.950 11.061 -6.689 1.00 0.00 H new ATOM 1061 N GLY A 69 6.205 11.684 -7.215 1.00 0.00 N ATOM 1062 CA GLY A 69 5.156 10.811 -7.724 1.00 0.00 C ATOM 1063 C GLY A 69 4.882 11.103 -9.195 1.00 0.00 C ATOM 1064 O GLY A 69 4.269 10.298 -9.896 1.00 0.00 O ATOM 0 H GLY A 69 5.901 12.342 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.452 9.769 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.244 10.952 -7.144 1.00 0.00 H new ATOM 1068 N ASN A 70 5.344 12.262 -9.654 1.00 0.00 N ATOM 1069 CA ASN A 70 5.148 12.659 -11.043 1.00 0.00 C ATOM 1070 C ASN A 70 5.613 11.556 -11.989 1.00 0.00 C ATOM 1071 O ASN A 70 4.921 11.217 -12.950 1.00 0.00 O ATOM 1072 CB ASN A 70 5.930 13.942 -11.331 1.00 0.00 C ATOM 1073 CG ASN A 70 7.245 13.935 -10.559 1.00 0.00 C ATOM 1074 OD1 ASN A 70 7.902 12.899 -10.457 1.00 0.00 O ATOM 1075 ND2 ASN A 70 7.670 15.036 -10.004 1.00 0.00 N ATOM 0 H ASN A 70 5.854 12.939 -9.087 1.00 0.00 H new ATOM 0 HA ASN A 70 4.084 12.834 -11.205 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.127 14.026 -12.400 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.337 14.811 -11.047 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.548 15.039 -9.485 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.125 15.894 -10.089 1.00 0.00 H new ATOM 1082 N GLY A 71 6.791 11.004 -11.716 1.00 0.00 N ATOM 1083 CA GLY A 71 7.340 9.944 -12.553 1.00 0.00 C ATOM 1084 C GLY A 71 6.740 8.590 -12.191 1.00 0.00 C ATOM 1085 O GLY A 71 6.319 7.834 -13.066 1.00 0.00 O ATOM 0 H GLY A 71 7.380 11.271 -10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.140 10.165 -13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.423 9.908 -12.435 1.00 0.00 H new ATOM 1089 N TYR A 72 6.704 8.288 -10.897 1.00 0.00 N ATOM 1090 CA TYR A 72 6.154 7.019 -10.435 1.00 0.00 C ATOM 1091 C TYR A 72 4.746 6.812 -10.984 1.00 0.00 C ATOM 1092 O TYR A 72 4.289 5.680 -11.139 1.00 0.00 O ATOM 1093 CB TYR A 72 6.116 6.992 -8.907 1.00 0.00 C ATOM 1094 CG TYR A 72 6.373 5.585 -8.422 1.00 0.00 C ATOM 1095 CD1 TYR A 72 7.589 4.956 -8.715 1.00 0.00 C ATOM 1096 CD2 TYR A 72 5.395 4.910 -7.681 1.00 0.00 C ATOM 1097 CE1 TYR A 72 7.828 3.651 -8.267 1.00 0.00 C ATOM 1098 CE2 TYR A 72 5.634 3.605 -7.233 1.00 0.00 C ATOM 1099 CZ TYR A 72 6.851 2.976 -7.526 1.00 0.00 C ATOM 1100 OH TYR A 72 7.086 1.690 -7.084 1.00 0.00 O ATOM 0 H TYR A 72 7.046 8.899 -10.155 1.00 0.00 H new ATOM 0 HA TYR A 72 6.794 6.215 -10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.867 7.671 -8.502 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.146 7.340 -8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.343 5.477 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.457 5.396 -7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.766 3.165 -8.493 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.880 3.084 -6.662 1.00 0.00 H new ATOM 0 HH TYR A 72 6.307 1.368 -6.584 1.00 0.00 H new ATOM 1110 N ARG A 73 4.061 7.914 -11.276 1.00 0.00 N ATOM 1111 CA ARG A 73 2.704 7.841 -11.806 1.00 0.00 C ATOM 1112 C ARG A 73 2.555 6.648 -12.746 1.00 0.00 C ATOM 1113 O ARG A 73 1.503 6.011 -12.791 1.00 0.00 O ATOM 1114 CB ARG A 73 2.367 9.129 -12.560 1.00 0.00 C ATOM 1115 CG ARG A 73 0.848 9.308 -12.612 1.00 0.00 C ATOM 1116 CD ARG A 73 0.491 10.317 -13.705 1.00 0.00 C ATOM 1117 NE ARG A 73 0.019 9.622 -14.898 1.00 0.00 N ATOM 1118 CZ ARG A 73 -1.279 9.439 -15.121 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -2.159 9.882 -14.265 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -1.673 8.816 -16.198 1.00 0.00 N ATOM 0 H ARG A 73 4.420 8.861 -11.156 1.00 0.00 H new ATOM 0 HA ARG A 73 2.017 7.717 -10.969 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.828 9.984 -12.065 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.774 9.088 -13.570 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.365 8.352 -12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.479 9.655 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.279 10.998 -13.344 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.363 10.923 -13.950 1.00 0.00 H new ATOM 0 HE ARG A 73 0.697 9.270 -15.573 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.851 10.369 -13.423 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.154 9.741 -14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.986 8.470 -16.867 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.668 8.675 -16.370 1.00 0.00 H new ATOM 1134 N LYS A 74 3.612 6.353 -13.494 1.00 0.00 N ATOM 1135 CA LYS A 74 3.582 5.235 -14.432 1.00 0.00 C ATOM 1136 C LYS A 74 3.571 3.905 -13.684 1.00 0.00 C ATOM 1137 O LYS A 74 2.760 3.026 -13.973 1.00 0.00 O ATOM 1138 CB LYS A 74 4.801 5.293 -15.355 1.00 0.00 C ATOM 1139 CG LYS A 74 4.734 6.561 -16.210 1.00 0.00 C ATOM 1140 CD LYS A 74 3.739 6.355 -17.354 1.00 0.00 C ATOM 1141 CE LYS A 74 2.760 7.530 -17.397 1.00 0.00 C ATOM 1142 NZ LYS A 74 2.116 7.690 -16.062 1.00 0.00 N ATOM 0 H LYS A 74 4.493 6.866 -13.471 1.00 0.00 H new ATOM 0 HA LYS A 74 2.672 5.311 -15.027 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.718 5.287 -14.765 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.828 4.411 -15.995 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.429 7.409 -15.597 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.721 6.795 -16.610 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.270 6.276 -18.302 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.196 5.420 -17.214 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.285 8.445 -17.671 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.001 7.357 -18.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.094 7.835 -16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.278 6.834 -15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.526 8.512 -15.575 1.00 0.00 H new ATOM 1156 N ARG A 75 4.479 3.764 -12.723 1.00 0.00 N ATOM 1157 CA ARG A 75 4.566 2.535 -11.941 1.00 0.00 C ATOM 1158 C ARG A 75 3.216 2.199 -11.312 1.00 0.00 C ATOM 1159 O ARG A 75 2.905 1.031 -11.077 1.00 0.00 O ATOM 1160 CB ARG A 75 5.622 2.693 -10.843 1.00 0.00 C ATOM 1161 CG ARG A 75 6.735 1.660 -11.041 1.00 0.00 C ATOM 1162 CD ARG A 75 7.662 2.118 -12.167 1.00 0.00 C ATOM 1163 NE ARG A 75 8.125 0.971 -12.938 1.00 0.00 N ATOM 1164 CZ ARG A 75 9.244 0.331 -12.614 1.00 0.00 C ATOM 1165 NH1 ARG A 75 9.944 0.723 -11.584 1.00 0.00 N ATOM 1166 NH2 ARG A 75 9.641 -0.689 -13.324 1.00 0.00 N ATOM 0 H ARG A 75 5.160 4.479 -12.468 1.00 0.00 H new ATOM 0 HA ARG A 75 4.852 1.721 -12.607 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.039 3.700 -10.869 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.163 2.563 -9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.301 1.538 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.305 0.688 -11.283 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.136 2.815 -12.819 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.515 2.653 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 75 7.581 0.654 -13.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.632 1.520 -11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.803 0.233 -11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.093 -0.995 -14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.500 -1.180 -13.075 1.00 0.00 H new ATOM 1180 N LEU A 76 2.422 3.228 -11.038 1.00 0.00 N ATOM 1181 CA LEU A 76 1.110 3.029 -10.433 1.00 0.00 C ATOM 1182 C LEU A 76 0.148 2.389 -11.430 1.00 0.00 C ATOM 1183 O LEU A 76 -0.399 1.315 -11.176 1.00 0.00 O ATOM 1184 CB LEU A 76 0.544 4.371 -9.962 1.00 0.00 C ATOM 1185 CG LEU A 76 1.159 4.739 -8.611 1.00 0.00 C ATOM 1186 CD1 LEU A 76 0.850 6.203 -8.290 1.00 0.00 C ATOM 1187 CD2 LEU A 76 0.570 3.845 -7.517 1.00 0.00 C ATOM 0 H LEU A 76 2.661 4.202 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 76 1.223 2.362 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.762 5.147 -10.696 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.541 4.310 -9.875 1.00 0.00 H new ATOM 0 HG LEU A 76 2.239 4.595 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.289 6.465 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.271 6.842 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.230 6.346 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.010 4.109 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.510 3.987 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.790 2.801 -7.742 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.052 3.052 -12.563 1.00 0.00 N ATOM 1200 CA VAL A 77 -0.951 2.536 -13.589 1.00 0.00 C ATOM 1201 C VAL A 77 -0.615 1.084 -13.916 1.00 0.00 C ATOM 1202 O VAL A 77 -1.505 0.272 -14.170 1.00 0.00 O ATOM 1203 CB VAL A 77 -0.841 3.386 -14.855 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -1.783 2.832 -15.925 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -1.230 4.830 -14.531 1.00 0.00 C ATOM 0 H VAL A 77 0.392 3.941 -12.794 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.971 2.583 -13.208 1.00 0.00 H new ATOM 0 HB VAL A 77 0.184 3.358 -15.225 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.705 3.438 -16.828 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.508 1.802 -16.154 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.809 2.860 -15.557 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.152 5.439 -15.432 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.255 4.857 -14.162 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.560 5.225 -13.768 1.00 0.00 H new ATOM 1215 N ARG A 78 0.674 0.766 -13.910 1.00 0.00 N ATOM 1216 CA ARG A 78 1.119 -0.591 -14.209 1.00 0.00 C ATOM 1217 C ARG A 78 0.218 -1.612 -13.520 1.00 0.00 C ATOM 1218 O ARG A 78 0.150 -2.772 -13.930 1.00 0.00 O ATOM 1219 CB ARG A 78 2.563 -0.783 -13.739 1.00 0.00 C ATOM 1220 CG ARG A 78 3.418 -1.292 -14.901 1.00 0.00 C ATOM 1221 CD ARG A 78 3.599 -0.176 -15.931 1.00 0.00 C ATOM 1222 NE ARG A 78 4.986 0.272 -15.953 1.00 0.00 N ATOM 1223 CZ ARG A 78 5.556 0.687 -17.078 1.00 0.00 C ATOM 1224 NH1 ARG A 78 4.873 0.697 -18.190 1.00 0.00 N ATOM 1225 NH2 ARG A 78 6.798 1.086 -17.073 1.00 0.00 N ATOM 0 H ARG A 78 1.426 1.424 -13.703 1.00 0.00 H new ATOM 0 HA ARG A 78 1.065 -0.743 -15.287 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.963 0.160 -13.366 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.596 -1.493 -12.912 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.389 -1.623 -14.534 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.942 -2.156 -15.365 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.309 -0.533 -16.919 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.943 0.661 -15.690 1.00 0.00 H new ATOM 0 HE ARG A 78 5.528 0.267 -15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.902 0.386 -18.195 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.311 1.016 -19.054 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.332 1.079 -16.204 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.235 1.405 -17.938 1.00 0.00 H new ATOM 1239 N VAL A 79 -0.468 -1.174 -12.471 1.00 0.00 N ATOM 1240 CA VAL A 79 -1.360 -2.059 -11.730 1.00 0.00 C ATOM 1241 C VAL A 79 -2.676 -2.253 -12.480 1.00 0.00 C ATOM 1242 O VAL A 79 -3.285 -3.321 -12.417 1.00 0.00 O ATOM 1243 CB VAL A 79 -1.640 -1.472 -10.347 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -2.813 -2.212 -9.703 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -0.396 -1.625 -9.467 1.00 0.00 C ATOM 0 H VAL A 79 -0.425 -0.219 -12.116 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.873 -3.029 -11.624 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.889 -0.416 -10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.011 -1.792 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.699 -2.103 -10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.566 -3.269 -9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.595 -1.207 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.147 -2.682 -9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.440 -1.096 -9.924 1.00 0.00 H new ATOM 1255 N ARG A 80 -3.110 -1.213 -13.185 1.00 0.00 N ATOM 1256 CA ARG A 80 -4.357 -1.282 -13.938 1.00 0.00 C ATOM 1257 C ARG A 80 -4.137 -1.958 -15.289 1.00 0.00 C ATOM 1258 O ARG A 80 -4.974 -2.737 -15.746 1.00 0.00 O ATOM 1259 CB ARG A 80 -4.914 0.127 -14.154 1.00 0.00 C ATOM 1260 CG ARG A 80 -6.139 0.060 -15.069 1.00 0.00 C ATOM 1261 CD ARG A 80 -7.032 1.278 -14.821 1.00 0.00 C ATOM 1262 NE ARG A 80 -7.409 1.893 -16.089 1.00 0.00 N ATOM 1263 CZ ARG A 80 -6.721 2.915 -16.589 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -5.686 3.383 -15.947 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -7.081 3.450 -17.722 1.00 0.00 N ATOM 0 H ARG A 80 -2.622 -0.320 -13.251 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.071 -1.873 -13.365 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.186 0.572 -13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.151 0.767 -14.597 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -5.825 0.033 -16.112 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.697 -0.857 -14.880 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.926 0.977 -14.274 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.507 2.003 -14.199 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.214 1.533 -16.601 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.404 2.965 -15.061 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.159 4.167 -16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.890 3.085 -18.224 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.554 4.234 -18.106 1.00 0.00 H new ATOM 1279 N ASN A 81 -3.011 -1.653 -15.924 1.00 0.00 N ATOM 1280 CA ASN A 81 -2.697 -2.236 -17.223 1.00 0.00 C ATOM 1281 C ASN A 81 -2.640 -3.758 -17.137 1.00 0.00 C ATOM 1282 O ASN A 81 -2.776 -4.451 -18.145 1.00 0.00 O ATOM 1283 CB ASN A 81 -1.354 -1.702 -17.728 1.00 0.00 C ATOM 1284 CG ASN A 81 -1.443 -1.403 -19.222 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -2.512 -1.052 -19.722 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -0.379 -1.522 -19.966 1.00 0.00 N ATOM 0 H ASN A 81 -2.305 -1.011 -15.564 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.486 -1.955 -17.920 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.084 -0.798 -17.183 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.568 -2.434 -17.541 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.431 -1.324 -20.965 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.505 -1.813 -19.549 1.00 0.00 H new ATOM 1293 N SER A 82 -2.437 -4.274 -15.929 1.00 0.00 N ATOM 1294 CA SER A 82 -2.365 -5.716 -15.729 1.00 0.00 C ATOM 1295 C SER A 82 -3.722 -6.271 -15.310 1.00 0.00 C ATOM 1296 O SER A 82 -4.248 -7.189 -15.938 1.00 0.00 O ATOM 1297 CB SER A 82 -1.326 -6.044 -14.656 1.00 0.00 C ATOM 1298 OG SER A 82 -0.853 -7.370 -14.851 1.00 0.00 O ATOM 0 H SER A 82 -2.320 -3.720 -15.081 1.00 0.00 H new ATOM 0 HA SER A 82 -2.073 -6.178 -16.672 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.497 -5.338 -14.708 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.767 -5.945 -13.664 1.00 0.00 H new ATOM 0 HG SER A 82 -0.185 -7.583 -14.166 1.00 0.00 H new ATOM 1304 N ASN A 83 -4.283 -5.709 -14.245 1.00 0.00 N ATOM 1305 CA ASN A 83 -5.580 -6.157 -13.752 1.00 0.00 C ATOM 1306 C ASN A 83 -6.491 -4.966 -13.476 1.00 0.00 C ATOM 1307 O ASN A 83 -6.166 -3.830 -13.820 1.00 0.00 O ATOM 1308 CB ASN A 83 -5.395 -6.968 -12.467 1.00 0.00 C ATOM 1309 CG ASN A 83 -4.592 -6.163 -11.453 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -4.822 -4.965 -11.287 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -3.655 -6.751 -10.759 1.00 0.00 N ATOM 0 H ASN A 83 -3.864 -4.948 -13.710 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.042 -6.782 -14.516 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.367 -7.229 -12.049 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.882 -7.904 -12.689 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.113 -6.218 -10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.465 -7.744 -10.897 1.00 0.00 H new ATOM 1318 N ASN A 84 -7.631 -5.234 -12.850 1.00 0.00 N ATOM 1319 CA ASN A 84 -8.584 -4.179 -12.529 1.00 0.00 C ATOM 1320 C ASN A 84 -9.307 -4.499 -11.225 1.00 0.00 C ATOM 1321 O ASN A 84 -10.528 -4.375 -11.132 1.00 0.00 O ATOM 1322 CB ASN A 84 -9.604 -4.032 -13.659 1.00 0.00 C ATOM 1323 CG ASN A 84 -9.135 -2.971 -14.649 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -9.160 -1.779 -14.342 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -8.706 -3.335 -15.827 1.00 0.00 N ATOM 0 H ASN A 84 -7.917 -6.168 -12.556 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.039 -3.242 -12.413 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.733 -4.986 -14.170 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.576 -3.755 -13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.391 -2.631 -16.495 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.686 -4.323 -16.080 1.00 0.00 H new ATOM 1332 N LEU A 85 -8.542 -4.914 -10.221 1.00 0.00 N ATOM 1333 CA LEU A 85 -9.115 -5.254 -8.925 1.00 0.00 C ATOM 1334 C LEU A 85 -8.963 -4.094 -7.948 1.00 0.00 C ATOM 1335 O LEU A 85 -8.070 -3.258 -8.093 1.00 0.00 O ATOM 1336 CB LEU A 85 -8.425 -6.495 -8.351 1.00 0.00 C ATOM 1337 CG LEU A 85 -7.584 -7.172 -9.436 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -6.765 -8.306 -8.814 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -8.508 -7.743 -10.513 1.00 0.00 C ATOM 0 H LEU A 85 -7.529 -5.022 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.176 -5.461 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.791 -6.213 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.171 -7.192 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.911 -6.441 -9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.166 -8.788 -9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.107 -7.900 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.438 -9.038 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.911 -8.225 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.181 -8.474 -10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.092 -6.937 -10.956 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.838 -4.054 -6.948 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.789 -2.995 -5.947 1.00 0.00 C ATOM 1353 C LYS A 86 -8.717 -3.302 -4.906 1.00 0.00 C ATOM 1354 O LYS A 86 -8.749 -4.350 -4.259 1.00 0.00 O ATOM 1355 CB LYS A 86 -11.149 -2.859 -5.257 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.915 -4.180 -5.367 1.00 0.00 C ATOM 1357 CD LYS A 86 -12.974 -4.249 -4.266 1.00 0.00 C ATOM 1358 CE LYS A 86 -12.392 -4.961 -3.043 1.00 0.00 C ATOM 1359 NZ LYS A 86 -12.704 -6.417 -3.119 1.00 0.00 N ATOM 0 H LYS A 86 -10.583 -4.736 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.544 -2.057 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.011 -2.593 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.723 -2.055 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.388 -4.258 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.227 -5.020 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.298 -3.244 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.854 -4.782 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.313 -4.811 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.808 -4.536 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.308 -6.901 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.735 -6.550 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.286 -6.817 -3.983 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.765 -2.388 -4.754 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.686 -2.578 -3.793 1.00 0.00 C ATOM 1375 C GLY A 87 -6.553 -1.370 -2.871 1.00 0.00 C ATOM 1376 O GLY A 87 -7.085 -0.297 -3.155 1.00 0.00 O ATOM 0 H GLY A 87 -7.718 -1.515 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.876 -3.473 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.747 -2.740 -4.323 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.839 -1.553 -1.765 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.640 -0.471 -0.809 1.00 0.00 C ATOM 1382 C ILE A 88 -4.205 0.040 -0.874 1.00 0.00 C ATOM 1383 O ILE A 88 -3.255 -0.719 -0.680 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.945 -0.961 0.606 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -7.421 -1.351 0.703 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.645 0.156 1.609 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -7.544 -2.727 1.358 1.00 0.00 C ATOM 0 H ILE A 88 -5.392 -2.434 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.318 0.344 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.324 -1.828 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.966 -0.609 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.869 -1.368 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.862 -0.193 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.593 0.434 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.265 1.024 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.596 -3.004 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.013 -3.465 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.111 -2.694 2.358 1.00 0.00 H new ATOM 1399 N VAL A 89 -4.057 1.329 -1.154 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.735 1.934 -1.248 1.00 0.00 C ATOM 1401 C VAL A 89 -2.358 2.622 0.060 1.00 0.00 C ATOM 1402 O VAL A 89 -3.094 3.474 0.559 1.00 0.00 O ATOM 1403 CB VAL A 89 -2.712 2.955 -2.385 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.494 3.866 -2.229 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -2.635 2.222 -3.726 1.00 0.00 C ATOM 0 H VAL A 89 -4.831 1.972 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.011 1.144 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.620 3.557 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.478 4.594 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.550 4.388 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.584 3.266 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.619 2.949 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.727 1.620 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.504 1.574 -3.837 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.203 2.252 0.605 1.00 0.00 N ATOM 1416 CA VAL A 90 -0.731 2.845 1.850 1.00 0.00 C ATOM 1417 C VAL A 90 0.303 3.926 1.555 1.00 0.00 C ATOM 1418 O VAL A 90 1.029 3.845 0.564 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.110 1.770 2.744 1.00 0.00 C ATOM 1420 CG1 VAL A 90 -0.374 2.110 4.212 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -0.736 0.412 2.415 1.00 0.00 C ATOM 0 H VAL A 90 -0.581 1.549 0.207 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.580 3.292 2.367 1.00 0.00 H new ATOM 0 HB VAL A 90 0.965 1.729 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.069 1.344 4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.070 3.077 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.449 2.151 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.295 -0.356 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.811 0.455 2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.548 0.169 1.369 1.00 0.00 H new ATOM 1431 N VAL A 91 0.366 4.939 2.411 1.00 0.00 N ATOM 1432 CA VAL A 91 1.317 6.027 2.213 1.00 0.00 C ATOM 1433 C VAL A 91 2.060 6.341 3.507 1.00 0.00 C ATOM 1434 O VAL A 91 1.495 6.253 4.598 1.00 0.00 O ATOM 1435 CB VAL A 91 0.586 7.278 1.729 1.00 0.00 C ATOM 1436 CG1 VAL A 91 1.607 8.319 1.268 1.00 0.00 C ATOM 1437 CG2 VAL A 91 -0.330 6.911 0.558 1.00 0.00 C ATOM 0 H VAL A 91 -0.222 5.030 3.239 1.00 0.00 H new ATOM 0 HA VAL A 91 2.041 5.713 1.461 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.010 7.689 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.086 9.212 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.261 8.580 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.203 7.908 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.852 7.803 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.267 6.501 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.058 6.168 0.884 1.00 0.00 H new ATOM 1447 N GLU A 92 3.330 6.713 3.375 1.00 0.00 N ATOM 1448 CA GLU A 92 4.144 7.045 4.537 1.00 0.00 C ATOM 1449 C GLU A 92 4.081 8.543 4.820 1.00 0.00 C ATOM 1450 O GLU A 92 4.439 9.360 3.972 1.00 0.00 O ATOM 1451 CB GLU A 92 5.597 6.631 4.293 1.00 0.00 C ATOM 1452 CG GLU A 92 6.331 6.532 5.631 1.00 0.00 C ATOM 1453 CD GLU A 92 7.804 6.216 5.394 1.00 0.00 C ATOM 1454 OE1 GLU A 92 8.127 5.777 4.302 1.00 0.00 O ATOM 1455 OE2 GLU A 92 8.587 6.416 6.308 1.00 0.00 O ATOM 0 H GLU A 92 3.814 6.791 2.481 1.00 0.00 H new ATOM 0 HA GLU A 92 3.753 6.505 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.631 5.672 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.090 7.359 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.235 7.470 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.878 5.755 6.247 1.00 0.00 H new ATOM 1462 N LYS A 93 3.619 8.895 6.014 1.00 0.00 N ATOM 1463 CA LYS A 93 3.508 10.297 6.397 1.00 0.00 C ATOM 1464 C LYS A 93 4.888 10.932 6.533 1.00 0.00 C ATOM 1465 O LYS A 93 5.820 10.315 7.048 1.00 0.00 O ATOM 1466 CB LYS A 93 2.760 10.418 7.725 1.00 0.00 C ATOM 1467 CG LYS A 93 1.383 9.765 7.595 1.00 0.00 C ATOM 1468 CD LYS A 93 0.323 10.684 8.204 1.00 0.00 C ATOM 1469 CE LYS A 93 0.092 11.881 7.279 1.00 0.00 C ATOM 1470 NZ LYS A 93 -1.266 12.443 7.524 1.00 0.00 N ATOM 0 H LYS A 93 3.317 8.234 6.729 1.00 0.00 H new ATOM 0 HA LYS A 93 2.956 10.821 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.329 9.937 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.652 11.467 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.156 9.576 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.377 8.800 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.609 10.137 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.646 11.027 9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.850 12.643 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.188 11.573 6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.595 12.940 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.925 11.671 7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.227 13.111 8.320 1.00 0.00 H new ATOM 1484 N THR A 94 5.009 12.171 6.068 1.00 0.00 N ATOM 1485 CA THR A 94 6.277 12.885 6.145 1.00 0.00 C ATOM 1486 C THR A 94 6.039 14.389 6.241 1.00 0.00 C ATOM 1487 O THR A 94 5.588 14.891 7.270 1.00 0.00 O ATOM 1488 CB THR A 94 7.125 12.577 4.909 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.245 13.451 4.875 1.00 0.00 O ATOM 1490 CG2 THR A 94 6.281 12.775 3.649 1.00 0.00 C ATOM 0 H THR A 94 4.250 12.698 5.637 1.00 0.00 H new ATOM 0 HA THR A 94 6.806 12.555 7.039 1.00 0.00 H new ATOM 0 HB THR A 94 7.472 11.545 4.953 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.044 12.949 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.885 12.556 2.768 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.423 12.104 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.933 13.807 3.603 1.00 0.00 H new ATOM 1498 N ARG A 95 6.339 15.099 5.160 1.00 0.00 N ATOM 1499 CA ARG A 95 6.151 16.545 5.131 1.00 0.00 C ATOM 1500 C ARG A 95 5.379 16.952 3.881 1.00 0.00 C ATOM 1501 O ARG A 95 4.194 17.281 3.950 1.00 0.00 O ATOM 1502 CB ARG A 95 7.508 17.251 5.148 1.00 0.00 C ATOM 1503 CG ARG A 95 8.358 16.694 6.291 1.00 0.00 C ATOM 1504 CD ARG A 95 9.650 17.505 6.406 1.00 0.00 C ATOM 1505 NE ARG A 95 9.901 17.863 7.797 1.00 0.00 N ATOM 1506 CZ ARG A 95 10.657 18.909 8.111 1.00 0.00 C ATOM 1507 NH1 ARG A 95 11.188 19.637 7.165 1.00 0.00 N ATOM 1508 NH2 ARG A 95 10.870 19.211 9.362 1.00 0.00 N ATOM 0 H ARG A 95 6.711 14.701 4.298 1.00 0.00 H new ATOM 0 HA ARG A 95 5.582 16.839 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.018 17.104 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.370 18.325 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.802 16.740 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.589 15.645 6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.487 16.926 6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.576 18.407 5.799 1.00 0.00 H new ATOM 0 HE ARG A 95 9.489 17.301 8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.022 19.402 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.769 20.440 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.456 18.643 10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.451 20.015 9.601 1.00 0.00 H new ATOM 1522 N MET A 96 6.057 16.924 2.739 1.00 0.00 N ATOM 1523 CA MET A 96 5.424 17.287 1.479 1.00 0.00 C ATOM 1524 C MET A 96 4.176 16.440 1.251 1.00 0.00 C ATOM 1525 O MET A 96 3.416 16.674 0.310 1.00 0.00 O ATOM 1526 CB MET A 96 6.409 17.083 0.326 1.00 0.00 C ATOM 1527 CG MET A 96 7.670 17.910 0.587 1.00 0.00 C ATOM 1528 SD MET A 96 7.262 19.671 0.510 1.00 0.00 S ATOM 1529 CE MET A 96 7.926 20.129 2.130 1.00 0.00 C ATOM 0 H MET A 96 7.038 16.656 2.661 1.00 0.00 H new ATOM 0 HA MET A 96 5.133 18.337 1.521 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.665 16.028 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.951 17.384 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.083 17.664 1.565 1.00 0.00 H new ATOM 0 HG3 MET A 96 8.435 17.670 -0.152 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.778 21.196 2.295 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.409 19.566 2.907 1.00 0.00 H new ATOM 0 HE3 MET A 96 8.991 19.901 2.164 1.00 0.00 H new ATOM 1539 N SER A 97 3.972 15.456 2.121 1.00 0.00 N ATOM 1540 CA SER A 97 2.814 14.577 2.013 1.00 0.00 C ATOM 1541 C SER A 97 1.522 15.389 1.985 1.00 0.00 C ATOM 1542 O SER A 97 1.025 15.746 0.918 1.00 0.00 O ATOM 1543 CB SER A 97 2.784 13.608 3.195 1.00 0.00 C ATOM 1544 OG SER A 97 1.437 13.254 3.477 1.00 0.00 O ATOM 0 H SER A 97 4.591 15.248 2.905 1.00 0.00 H new ATOM 0 HA SER A 97 2.895 14.015 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 97 3.366 12.716 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.242 14.069 4.070 1.00 0.00 H new ATOM 0 HG SER A 97 1.414 12.631 4.233 1.00 0.00 H new ATOM 1550 N GLU A 98 0.985 15.672 3.167 1.00 0.00 N ATOM 1551 CA GLU A 98 -0.252 16.438 3.273 1.00 0.00 C ATOM 1552 C GLU A 98 -0.247 17.623 2.310 1.00 0.00 C ATOM 1553 O GLU A 98 -1.303 18.145 1.952 1.00 0.00 O ATOM 1554 CB GLU A 98 -0.428 16.945 4.706 1.00 0.00 C ATOM 1555 CG GLU A 98 -0.345 15.764 5.676 1.00 0.00 C ATOM 1556 CD GLU A 98 -1.748 15.325 6.082 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -2.375 16.044 6.842 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -2.174 14.276 5.627 1.00 0.00 O ATOM 0 H GLU A 98 1.384 15.384 4.061 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.082 15.782 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.343 17.678 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.389 17.449 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.184 14.934 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.227 16.048 6.560 1.00 0.00 H new ATOM 1565 N GLN A 99 0.943 18.046 1.898 1.00 0.00 N ATOM 1566 CA GLN A 99 1.063 19.176 0.981 1.00 0.00 C ATOM 1567 C GLN A 99 0.585 18.794 -0.417 1.00 0.00 C ATOM 1568 O GLN A 99 -0.289 19.451 -0.983 1.00 0.00 O ATOM 1569 CB GLN A 99 2.518 19.643 0.914 1.00 0.00 C ATOM 1570 CG GLN A 99 3.007 19.994 2.319 1.00 0.00 C ATOM 1571 CD GLN A 99 4.257 20.863 2.234 1.00 0.00 C ATOM 1572 OE1 GLN A 99 4.929 20.887 1.203 1.00 0.00 O ATOM 1573 NE2 GLN A 99 4.611 21.584 3.264 1.00 0.00 N ATOM 0 H GLN A 99 1.830 17.629 2.180 1.00 0.00 H new ATOM 0 HA GLN A 99 0.437 19.986 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.143 18.860 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.602 20.511 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.224 20.521 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.225 19.082 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.053 21.563 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.446 22.168 3.215 1.00 0.00 H new ATOM 1582 N TYR A 100 1.163 17.732 -0.971 1.00 0.00 N ATOM 1583 CA TYR A 100 0.785 17.281 -2.306 1.00 0.00 C ATOM 1584 C TYR A 100 0.183 15.880 -2.255 1.00 0.00 C ATOM 1585 O TYR A 100 0.009 15.233 -3.289 1.00 0.00 O ATOM 1586 CB TYR A 100 2.009 17.278 -3.223 1.00 0.00 C ATOM 1587 CG TYR A 100 2.749 18.586 -3.081 1.00 0.00 C ATOM 1588 CD1 TYR A 100 3.758 18.716 -2.119 1.00 0.00 C ATOM 1589 CD2 TYR A 100 2.429 19.667 -3.911 1.00 0.00 C ATOM 1590 CE1 TYR A 100 4.447 19.928 -1.987 1.00 0.00 C ATOM 1591 CE2 TYR A 100 3.119 20.878 -3.780 1.00 0.00 C ATOM 1592 CZ TYR A 100 4.128 21.008 -2.817 1.00 0.00 C ATOM 1593 OH TYR A 100 4.808 22.202 -2.688 1.00 0.00 O ATOM 0 H TYR A 100 1.888 17.173 -0.521 1.00 0.00 H new ATOM 0 HA TYR A 100 0.036 17.969 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.666 16.447 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.700 17.133 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.005 17.882 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.650 19.567 -4.652 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.225 20.029 -1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.874 21.712 -4.421 1.00 0.00 H new ATOM 0 HH TYR A 100 4.464 22.847 -3.341 1.00 0.00 H new ATOM 1603 N PHE A 101 -0.132 15.416 -1.052 1.00 0.00 N ATOM 1604 CA PHE A 101 -0.715 14.090 -0.890 1.00 0.00 C ATOM 1605 C PHE A 101 -2.081 14.021 -1.573 1.00 0.00 C ATOM 1606 O PHE A 101 -2.451 12.988 -2.132 1.00 0.00 O ATOM 1607 CB PHE A 101 -0.848 13.750 0.602 1.00 0.00 C ATOM 1608 CG PHE A 101 -2.072 12.893 0.833 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -3.323 13.496 1.012 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -1.957 11.498 0.865 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -4.458 12.705 1.224 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -3.092 10.706 1.078 1.00 0.00 C ATOM 1613 CZ PHE A 101 -4.342 11.310 1.257 1.00 0.00 C ATOM 0 H PHE A 101 0.004 15.932 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.056 13.359 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.043 13.224 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.921 14.667 1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.412 14.572 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.992 11.033 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.423 13.170 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.003 9.630 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.218 10.700 1.421 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.829 15.095 -1.542 1.00 0.00 N ATOM 1624 CA PRO A 102 -4.176 15.157 -2.175 1.00 0.00 C ATOM 1625 C PRO A 102 -4.086 15.186 -3.698 1.00 0.00 C ATOM 1626 O PRO A 102 -4.701 14.369 -4.383 1.00 0.00 O ATOM 1627 CB PRO A 102 -4.793 16.461 -1.646 1.00 0.00 C ATOM 1628 CG PRO A 102 -3.834 17.010 -0.633 1.00 0.00 C ATOM 1629 CD PRO A 102 -2.478 16.366 -0.904 1.00 0.00 C ATOM 0 HA PRO A 102 -4.773 14.278 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.949 17.172 -2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.767 16.273 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.768 18.095 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.172 16.785 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.861 16.986 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.915 16.212 0.016 1.00 0.00 H new ATOM 1637 N ALA A 103 -3.315 16.136 -4.219 1.00 0.00 N ATOM 1638 CA ALA A 103 -3.150 16.267 -5.661 1.00 0.00 C ATOM 1639 C ALA A 103 -2.890 14.905 -6.298 1.00 0.00 C ATOM 1640 O ALA A 103 -3.216 14.684 -7.464 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.983 17.206 -5.968 1.00 0.00 C ATOM 0 H ALA A 103 -2.798 16.821 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.069 16.680 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.865 17.299 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.183 18.188 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.067 16.801 -5.537 1.00 0.00 H new ATOM 1647 N LEU A 104 -2.304 13.998 -5.525 1.00 0.00 N ATOM 1648 CA LEU A 104 -2.007 12.661 -6.026 1.00 0.00 C ATOM 1649 C LEU A 104 -3.219 11.749 -5.866 1.00 0.00 C ATOM 1650 O LEU A 104 -3.571 11.001 -6.778 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.819 12.073 -5.262 1.00 0.00 C ATOM 1652 CG LEU A 104 -0.270 10.864 -6.021 1.00 0.00 C ATOM 1653 CD1 LEU A 104 1.053 11.238 -6.691 1.00 0.00 C ATOM 1654 CD2 LEU A 104 -0.038 9.713 -5.040 1.00 0.00 C ATOM 0 H LEU A 104 -2.027 14.161 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.759 12.734 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.040 12.826 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.129 11.776 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.986 10.556 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.444 10.376 -7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.888 12.059 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.771 11.546 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.353 8.850 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.679 10.022 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.981 9.446 -4.563 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.854 11.819 -4.701 1.00 0.00 N ATOM 1667 CA GLN A 105 -5.027 10.997 -4.430 1.00 0.00 C ATOM 1668 C GLN A 105 -6.142 11.309 -5.422 1.00 0.00 C ATOM 1669 O GLN A 105 -6.930 10.433 -5.781 1.00 0.00 O ATOM 1670 CB GLN A 105 -5.521 11.254 -3.004 1.00 0.00 C ATOM 1671 CG GLN A 105 -6.754 10.393 -2.727 1.00 0.00 C ATOM 1672 CD GLN A 105 -7.079 10.417 -1.237 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -6.578 11.358 -0.485 1.00 0.00 O flip ATOM 1674 NE2 GLN A 105 -7.809 9.556 -0.746 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.578 12.432 -3.934 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.748 9.949 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.733 11.021 -2.288 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.765 12.309 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.604 10.764 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.574 9.368 -3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.199 8.821 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.023 9.577 0.251 1.00 0.00 H new ATOM 1683 N LYS A 106 -6.205 12.562 -5.861 1.00 0.00 N ATOM 1684 CA LYS A 106 -7.230 12.980 -6.813 1.00 0.00 C ATOM 1685 C LYS A 106 -6.924 12.442 -8.207 1.00 0.00 C ATOM 1686 O LYS A 106 -7.833 12.105 -8.965 1.00 0.00 O ATOM 1687 CB LYS A 106 -7.306 14.508 -6.859 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.570 14.937 -7.608 1.00 0.00 C ATOM 1689 CD LYS A 106 -9.212 16.125 -6.888 1.00 0.00 C ATOM 1690 CE LYS A 106 -8.244 17.311 -6.894 1.00 0.00 C ATOM 1691 NZ LYS A 106 -8.956 18.530 -7.372 1.00 0.00 N ATOM 0 H LYS A 106 -5.563 13.302 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.188 12.577 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.316 14.912 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.423 14.911 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.322 15.210 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.274 14.106 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.145 16.401 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.461 15.851 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.849 17.477 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.393 17.097 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.299 19.336 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.312 18.368 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.754 18.737 -6.738 1.00 0.00 H new ATOM 1705 N PHE A 107 -5.639 12.369 -8.540 1.00 0.00 N ATOM 1706 CA PHE A 107 -5.227 11.873 -9.848 1.00 0.00 C ATOM 1707 C PHE A 107 -5.206 10.348 -9.867 1.00 0.00 C ATOM 1708 O PHE A 107 -5.557 9.725 -10.869 1.00 0.00 O ATOM 1709 CB PHE A 107 -3.835 12.407 -10.195 1.00 0.00 C ATOM 1710 CG PHE A 107 -3.962 13.570 -11.151 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -4.856 14.611 -10.874 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -3.186 13.606 -12.317 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -4.974 15.688 -11.761 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -3.303 14.683 -13.202 1.00 0.00 C ATOM 1715 CZ PHE A 107 -4.197 15.724 -12.925 1.00 0.00 C ATOM 0 H PHE A 107 -4.871 12.645 -7.928 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.947 12.223 -10.588 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.319 12.723 -9.288 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.233 11.617 -10.645 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.455 14.583 -9.976 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.498 12.802 -12.533 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.664 16.491 -11.547 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.703 14.711 -14.100 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.287 16.555 -13.609 1.00 0.00 H new ATOM 1725 N THR A 108 -4.789 9.752 -8.755 1.00 0.00 N ATOM 1726 CA THR A 108 -4.722 8.300 -8.657 1.00 0.00 C ATOM 1727 C THR A 108 -6.118 7.697 -8.537 1.00 0.00 C ATOM 1728 O THR A 108 -6.385 6.617 -9.064 1.00 0.00 O ATOM 1729 CB THR A 108 -3.885 7.903 -7.440 1.00 0.00 C ATOM 1730 OG1 THR A 108 -4.224 8.740 -6.343 1.00 0.00 O ATOM 1731 CG2 THR A 108 -2.399 8.061 -7.765 1.00 0.00 C ATOM 0 H THR A 108 -4.494 10.249 -7.914 1.00 0.00 H new ATOM 0 HA THR A 108 -4.257 7.916 -9.565 1.00 0.00 H new ATOM 0 HB THR A 108 -4.088 6.864 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.548 9.443 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.804 7.778 -6.896 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.140 7.419 -8.607 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.192 9.099 -8.024 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.006 8.396 -7.838 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.370 7.915 -7.653 1.00 0.00 C ATOM 1741 C VAL A 109 -9.122 7.905 -8.981 1.00 0.00 C ATOM 1742 O VAL A 109 -9.645 6.875 -9.404 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.106 8.805 -6.648 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.617 8.685 -6.862 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.759 8.359 -5.226 1.00 0.00 C ATOM 0 H VAL A 109 -6.807 9.292 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.327 6.896 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.801 9.841 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.138 9.320 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.867 9.001 -7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -10.924 7.649 -6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.282 8.991 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.064 7.322 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.684 8.446 -5.070 1.00 0.00 H new ATOM 1755 N LEU A 110 -9.174 9.056 -9.638 1.00 0.00 N ATOM 1756 CA LEU A 110 -9.867 9.158 -10.917 1.00 0.00 C ATOM 1757 C LEU A 110 -9.271 8.184 -11.928 1.00 0.00 C ATOM 1758 O LEU A 110 -9.965 7.699 -12.823 1.00 0.00 O ATOM 1759 CB LEU A 110 -9.756 10.584 -11.460 1.00 0.00 C ATOM 1760 CG LEU A 110 -11.048 11.351 -11.171 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -11.120 11.690 -9.681 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -11.060 12.647 -11.986 1.00 0.00 C ATOM 0 H LEU A 110 -8.750 9.924 -9.312 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.916 8.908 -10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.909 11.093 -11.000 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.569 10.561 -12.534 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.905 10.736 -11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -12.041 12.236 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -11.107 10.770 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.264 12.306 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.979 13.196 -11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.202 13.260 -11.708 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.007 12.409 -13.048 1.00 0.00 H new ATOM 1774 N ASP A 111 -7.979 7.911 -11.787 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.293 7.006 -12.701 1.00 0.00 C ATOM 1776 C ASP A 111 -7.469 5.548 -12.280 1.00 0.00 C ATOM 1777 O ASP A 111 -7.842 4.703 -13.093 1.00 0.00 O ATOM 1778 CB ASP A 111 -5.803 7.346 -12.749 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.038 6.237 -13.464 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -4.953 6.291 -14.680 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -4.549 5.349 -12.785 1.00 0.00 O ATOM 0 H ASP A 111 -7.388 8.301 -11.053 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.734 7.132 -13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.654 8.294 -13.266 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.417 7.471 -11.737 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.182 5.252 -11.015 1.00 0.00 N ATOM 1787 CA LEU A 112 -7.300 3.881 -10.521 1.00 0.00 C ATOM 1788 C LEU A 112 -8.528 3.710 -9.630 1.00 0.00 C ATOM 1789 O LEU A 112 -9.096 2.622 -9.550 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.045 3.508 -9.731 1.00 0.00 C ATOM 1791 CG LEU A 112 -4.934 3.103 -10.700 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -3.629 3.787 -10.293 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -4.749 1.585 -10.655 1.00 0.00 C ATOM 0 H LEU A 112 -6.870 5.931 -10.321 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.410 3.223 -11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.721 4.352 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.263 2.687 -9.048 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.204 3.407 -11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.836 3.499 -10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.760 4.869 -10.323 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.358 3.482 -9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.957 1.294 -11.345 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.478 1.281 -9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.680 1.096 -10.944 1.00 0.00 H new ATOM 1805 N GLY A 113 -8.931 4.784 -8.963 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.093 4.728 -8.082 1.00 0.00 C ATOM 1807 C GLY A 113 -9.874 3.723 -6.956 1.00 0.00 C ATOM 1808 O GLY A 113 -10.813 3.070 -6.503 1.00 0.00 O ATOM 0 H GLY A 113 -8.477 5.696 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.284 5.715 -7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.977 4.450 -8.656 1.00 0.00 H new ATOM 1812 N MET A 114 -8.628 3.607 -6.507 1.00 0.00 N ATOM 1813 CA MET A 114 -8.298 2.680 -5.433 1.00 0.00 C ATOM 1814 C MET A 114 -8.550 3.324 -4.074 1.00 0.00 C ATOM 1815 O MET A 114 -8.984 4.472 -3.990 1.00 0.00 O ATOM 1816 CB MET A 114 -6.831 2.259 -5.536 1.00 0.00 C ATOM 1817 CG MET A 114 -6.747 0.802 -5.992 1.00 0.00 C ATOM 1818 SD MET A 114 -5.013 0.286 -6.049 1.00 0.00 S ATOM 1819 CE MET A 114 -5.244 -1.164 -7.106 1.00 0.00 C ATOM 0 H MET A 114 -7.836 4.140 -6.868 1.00 0.00 H new ATOM 0 HA MET A 114 -8.935 1.801 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.306 2.903 -6.242 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.339 2.377 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.305 0.163 -5.308 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.203 0.691 -6.976 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.469 -1.899 -6.890 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.223 -1.602 -6.914 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.179 -0.866 -8.152 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.274 2.574 -3.013 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.477 3.081 -1.661 1.00 0.00 C ATOM 1831 C VAL A 115 -7.147 3.481 -1.032 1.00 0.00 C ATOM 1832 O VAL A 115 -6.221 2.674 -0.946 1.00 0.00 O ATOM 1833 CB VAL A 115 -9.151 2.014 -0.799 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -9.902 2.686 0.352 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.140 1.220 -1.656 1.00 0.00 C ATOM 0 H VAL A 115 -7.912 1.621 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.118 3.961 -1.716 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.394 1.341 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.383 1.925 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.200 3.255 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -10.659 3.358 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.622 0.458 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -10.896 1.894 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.607 0.741 -2.477 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.063 4.731 -0.588 1.00 0.00 N ATOM 1846 CA LEU A 116 -5.845 5.231 0.037 1.00 0.00 C ATOM 1847 C LEU A 116 -6.034 5.343 1.546 1.00 0.00 C ATOM 1848 O LEU A 116 -7.119 5.682 2.021 1.00 0.00 O ATOM 1849 CB LEU A 116 -5.487 6.603 -0.538 1.00 0.00 C ATOM 1850 CG LEU A 116 -4.517 6.430 -1.709 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -5.248 5.789 -2.891 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -3.971 7.799 -2.127 1.00 0.00 C ATOM 0 H LEU A 116 -7.820 5.412 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.035 4.531 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.389 7.115 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.034 7.225 0.234 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.692 5.787 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.556 5.667 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.635 4.814 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.075 6.429 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.280 7.676 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.796 8.442 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.447 8.254 -1.286 1.00 0.00 H new ATOM 1864 N LEU A 117 -4.978 5.052 2.296 1.00 0.00 N ATOM 1865 CA LEU A 117 -5.048 5.121 3.751 1.00 0.00 C ATOM 1866 C LEU A 117 -3.657 5.300 4.351 1.00 0.00 C ATOM 1867 O LEU A 117 -2.982 4.324 4.682 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.682 3.843 4.301 1.00 0.00 C ATOM 1869 CG LEU A 117 -6.421 4.156 5.604 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.174 2.912 6.075 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -5.411 4.575 6.674 1.00 0.00 C ATOM 0 H LEU A 117 -4.071 4.769 1.926 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.660 5.980 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.374 3.425 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.913 3.091 4.479 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.129 4.967 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.700 3.135 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.893 2.612 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.466 2.101 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.936 4.798 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.703 3.764 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.873 5.462 6.339 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.226 6.522 4.498 1.00 0.00 N ATOM 1884 CA PRO A 118 -1.887 6.840 5.075 1.00 0.00 C ATOM 1885 C PRO A 118 -1.728 6.276 6.484 1.00 0.00 C ATOM 1886 O PRO A 118 -2.690 6.211 7.249 1.00 0.00 O ATOM 1887 CB PRO A 118 -1.838 8.372 5.097 1.00 0.00 C ATOM 1888 CG PRO A 118 -2.910 8.834 4.164 1.00 0.00 C ATOM 1889 CD PRO A 118 -3.968 7.734 4.128 1.00 0.00 C ATOM 0 HA PRO A 118 -1.080 6.398 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.007 8.753 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.861 8.735 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.342 9.774 4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.505 9.013 3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.779 7.936 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.416 7.642 3.139 1.00 0.00 H new ATOM 1897 N VAL A 119 -0.508 5.871 6.821 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.239 5.316 8.142 1.00 0.00 C ATOM 1899 C VAL A 119 0.573 6.298 8.980 1.00 0.00 C ATOM 1900 O VAL A 119 0.054 7.317 9.437 1.00 0.00 O ATOM 1901 CB VAL A 119 0.528 3.999 8.011 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.448 2.869 7.678 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.564 4.121 6.892 1.00 0.00 C ATOM 0 H VAL A 119 0.303 5.916 6.204 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.192 5.132 8.638 1.00 0.00 H new ATOM 0 HB VAL A 119 1.032 3.779 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.099 1.931 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.187 2.780 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.953 3.089 6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.111 3.183 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.059 4.342 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.261 4.925 7.128 1.00 0.00 H new ATOM 1913 N ALA A 120 1.849 5.986 9.177 1.00 0.00 N ATOM 1914 CA ALA A 120 2.725 6.846 9.963 1.00 0.00 C ATOM 1915 C ALA A 120 4.125 6.248 10.042 1.00 0.00 C ATOM 1916 O ALA A 120 5.117 6.971 10.134 1.00 0.00 O ATOM 1917 CB ALA A 120 2.161 7.019 11.373 1.00 0.00 C ATOM 0 H ALA A 120 2.298 5.149 8.806 1.00 0.00 H new ATOM 0 HA ALA A 120 2.783 7.819 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.822 7.663 11.953 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.171 7.472 11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.087 6.045 11.857 1.00 0.00 H new ATOM 1923 N SER A 121 4.196 4.922 10.004 1.00 0.00 N ATOM 1924 CA SER A 121 5.479 4.232 10.071 1.00 0.00 C ATOM 1925 C SER A 121 5.459 2.986 9.191 1.00 0.00 C ATOM 1926 O SER A 121 4.499 2.749 8.457 1.00 0.00 O ATOM 1927 CB SER A 121 5.784 3.836 11.515 1.00 0.00 C ATOM 1928 OG SER A 121 4.847 2.856 11.941 1.00 0.00 O ATOM 0 H SER A 121 3.386 4.307 9.928 1.00 0.00 H new ATOM 0 HA SER A 121 6.255 4.907 9.710 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.798 3.443 11.590 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.732 4.711 12.163 1.00 0.00 H new ATOM 0 HG SER A 121 5.041 2.598 12.866 1.00 0.00 H new ATOM 1934 N GLN A 122 6.522 2.193 9.270 1.00 0.00 N ATOM 1935 CA GLN A 122 6.612 0.974 8.474 1.00 0.00 C ATOM 1936 C GLN A 122 5.915 -0.182 9.183 1.00 0.00 C ATOM 1937 O GLN A 122 5.483 -1.143 8.547 1.00 0.00 O ATOM 1938 CB GLN A 122 8.080 0.614 8.234 1.00 0.00 C ATOM 1939 CG GLN A 122 8.765 1.742 7.459 1.00 0.00 C ATOM 1940 CD GLN A 122 10.207 1.894 7.931 1.00 0.00 C ATOM 1941 OE1 GLN A 122 10.492 1.723 9.193 1.00 0.00 O flip ATOM 1942 NE2 GLN A 122 11.097 2.175 7.130 1.00 0.00 N flip ATOM 0 H GLN A 122 7.327 2.370 9.871 1.00 0.00 H new ATOM 0 HA GLN A 122 6.119 1.151 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.586 0.454 9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.149 -0.319 7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.744 1.526 6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.224 2.677 7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 122 10.872 2.308 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 122 12.060 2.275 7.452 1.00 0.00 H new ATOM 1951 N MET A 123 5.811 -0.085 10.504 1.00 0.00 N ATOM 1952 CA MET A 123 5.167 -1.131 11.289 1.00 0.00 C ATOM 1953 C MET A 123 3.649 -0.975 11.255 1.00 0.00 C ATOM 1954 O MET A 123 2.919 -1.958 11.134 1.00 0.00 O ATOM 1955 CB MET A 123 5.657 -1.071 12.737 1.00 0.00 C ATOM 1956 CG MET A 123 7.152 -1.392 12.779 1.00 0.00 C ATOM 1957 SD MET A 123 7.862 -0.774 14.325 1.00 0.00 S ATOM 1958 CE MET A 123 9.601 -0.910 13.845 1.00 0.00 C ATOM 0 H MET A 123 6.162 0.702 11.050 1.00 0.00 H new ATOM 0 HA MET A 123 5.428 -2.096 10.855 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.474 -0.081 13.154 1.00 0.00 H new ATOM 0 HB3 MET A 123 5.103 -1.782 13.350 1.00 0.00 H new ATOM 0 HG2 MET A 123 7.306 -2.468 12.701 1.00 0.00 H new ATOM 0 HG3 MET A 123 7.656 -0.936 11.927 1.00 0.00 H new ATOM 0 HE1 MET A 123 10.233 -0.574 14.667 1.00 0.00 H new ATOM 0 HE2 MET A 123 9.833 -1.949 13.610 1.00 0.00 H new ATOM 0 HE3 MET A 123 9.786 -0.289 12.968 1.00 0.00 H new ATOM 1968 N GLU A 124 3.181 0.264 11.359 1.00 0.00 N ATOM 1969 CA GLU A 124 1.746 0.530 11.334 1.00 0.00 C ATOM 1970 C GLU A 124 1.077 -0.263 10.217 1.00 0.00 C ATOM 1971 O GLU A 124 0.013 -0.851 10.410 1.00 0.00 O ATOM 1972 CB GLU A 124 1.497 2.025 11.123 1.00 0.00 C ATOM 1973 CG GLU A 124 1.376 2.718 12.481 1.00 0.00 C ATOM 1974 CD GLU A 124 0.132 2.221 13.210 1.00 0.00 C ATOM 1975 OE1 GLU A 124 -0.565 1.390 12.651 1.00 0.00 O ATOM 1976 OE2 GLU A 124 -0.106 2.679 14.314 1.00 0.00 O ATOM 0 H GLU A 124 3.767 1.093 11.460 1.00 0.00 H new ATOM 0 HA GLU A 124 1.319 0.223 12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.314 2.463 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.586 2.175 10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.264 2.518 13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.320 3.798 12.344 1.00 0.00 H new ATOM 1983 N ALA A 125 1.714 -0.276 9.052 1.00 0.00 N ATOM 1984 CA ALA A 125 1.188 -0.999 7.901 1.00 0.00 C ATOM 1985 C ALA A 125 1.220 -2.497 8.168 1.00 0.00 C ATOM 1986 O ALA A 125 0.189 -3.168 8.129 1.00 0.00 O ATOM 1987 CB ALA A 125 2.019 -0.681 6.657 1.00 0.00 C ATOM 0 H ALA A 125 2.596 0.206 8.880 1.00 0.00 H new ATOM 0 HA ALA A 125 0.157 -0.687 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.618 -1.226 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.978 0.390 6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 125 3.054 -0.980 6.825 1.00 0.00 H new ATOM 1993 N SER A 126 2.412 -3.013 8.453 1.00 0.00 N ATOM 1994 CA SER A 126 2.560 -4.431 8.741 1.00 0.00 C ATOM 1995 C SER A 126 1.632 -4.812 9.885 1.00 0.00 C ATOM 1996 O SER A 126 1.154 -5.943 9.966 1.00 0.00 O ATOM 1997 CB SER A 126 4.007 -4.743 9.121 1.00 0.00 C ATOM 1998 OG SER A 126 4.253 -4.289 10.446 1.00 0.00 O ATOM 0 H SER A 126 3.278 -2.476 8.490 1.00 0.00 H new ATOM 0 HA SER A 126 2.300 -5.007 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.190 -5.815 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.691 -4.257 8.425 1.00 0.00 H new ATOM 0 HG SER A 126 3.800 -3.432 10.587 1.00 0.00 H new ATOM 2004 N CYS A 127 1.377 -3.847 10.762 1.00 0.00 N ATOM 2005 CA CYS A 127 0.495 -4.071 11.898 1.00 0.00 C ATOM 2006 C CYS A 127 -0.956 -3.851 11.487 1.00 0.00 C ATOM 2007 O CYS A 127 -1.855 -4.547 11.959 1.00 0.00 O ATOM 2008 CB CYS A 127 0.857 -3.121 13.039 1.00 0.00 C ATOM 2009 SG CYS A 127 -0.195 -3.467 14.470 1.00 0.00 S ATOM 0 H CYS A 127 1.768 -2.906 10.707 1.00 0.00 H new ATOM 0 HA CYS A 127 0.617 -5.100 12.237 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.906 -3.242 13.308 1.00 0.00 H new ATOM 0 HB3 CYS A 127 0.727 -2.087 12.720 1.00 0.00 H new ATOM 0 HG CYS A 127 -1.275 -4.076 14.078 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.180 -2.884 10.599 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.534 -2.596 10.136 1.00 0.00 C ATOM 2017 C LEU A 128 -3.021 -3.710 9.212 1.00 0.00 C ATOM 2018 O LEU A 128 -4.112 -4.250 9.395 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.562 -1.250 9.401 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.646 -1.256 8.317 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -5.000 -1.613 8.937 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -3.731 0.135 7.683 1.00 0.00 C ATOM 0 H LEU A 128 -0.453 -2.295 10.192 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.198 -2.541 10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -2.753 -0.445 10.111 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -1.589 -1.054 8.950 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.393 -1.996 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -5.766 -1.616 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.942 -2.601 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.257 -0.877 9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -4.501 0.137 6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -3.983 0.869 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -2.770 0.391 7.237 1.00 0.00 H new ATOM 2034 N VAL A 129 -2.201 -4.047 8.224 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.551 -5.097 7.274 1.00 0.00 C ATOM 2036 C VAL A 129 -2.877 -6.398 8.001 1.00 0.00 C ATOM 2037 O VAL A 129 -3.965 -6.954 7.841 1.00 0.00 O ATOM 2038 CB VAL A 129 -1.387 -5.330 6.309 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -1.660 -6.579 5.471 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -1.243 -4.118 5.387 1.00 0.00 C ATOM 0 H VAL A 129 -1.293 -3.611 8.060 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.432 -4.778 6.718 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.466 -5.469 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.830 -6.744 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.765 -7.442 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.580 -6.442 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.414 -4.281 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.164 -3.980 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.048 -3.227 5.984 1.00 0.00 H new ATOM 2050 N ILE A 130 -1.929 -6.882 8.797 1.00 0.00 N ATOM 2051 CA ILE A 130 -2.127 -8.121 9.539 1.00 0.00 C ATOM 2052 C ILE A 130 -3.382 -8.037 10.403 1.00 0.00 C ATOM 2053 O ILE A 130 -4.185 -8.969 10.438 1.00 0.00 O ATOM 2054 CB ILE A 130 -0.912 -8.400 10.425 1.00 0.00 C ATOM 2055 CG1 ILE A 130 0.247 -8.901 9.556 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.268 -9.467 11.462 1.00 0.00 C ATOM 2057 CD1 ILE A 130 0.122 -10.412 9.354 1.00 0.00 C ATOM 0 H ILE A 130 -1.022 -6.439 8.944 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.248 -8.934 8.823 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.617 -7.483 10.935 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.237 -8.393 8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.199 -8.665 10.031 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.401 -9.665 12.093 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.093 -9.113 12.080 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.564 -10.385 10.953 1.00 0.00 H new ATOM 0 HD11 ILE A 130 0.947 -10.766 8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.153 -10.912 10.322 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.823 -10.636 8.860 1.00 0.00 H new ATOM 2069 N GLN A 131 -3.544 -6.916 11.099 1.00 0.00 N ATOM 2070 CA GLN A 131 -4.706 -6.724 11.959 1.00 0.00 C ATOM 2071 C GLN A 131 -5.994 -6.871 11.155 1.00 0.00 C ATOM 2072 O GLN A 131 -7.007 -7.346 11.668 1.00 0.00 O ATOM 2073 CB GLN A 131 -4.658 -5.336 12.601 1.00 0.00 C ATOM 2074 CG GLN A 131 -5.992 -5.046 13.294 1.00 0.00 C ATOM 2075 CD GLN A 131 -5.829 -3.891 14.277 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -4.799 -3.867 15.078 1.00 0.00 O flip ATOM 2077 NE2 GLN A 131 -6.663 -2.985 14.317 1.00 0.00 N flip ATOM 0 H GLN A 131 -2.891 -6.133 11.085 1.00 0.00 H new ATOM 0 HA GLN A 131 -4.688 -7.484 12.740 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -3.843 -5.286 13.323 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -4.459 -4.580 11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -6.751 -4.798 12.552 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -6.339 -5.936 13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.468 -3.005 13.691 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -6.549 -2.215 14.977 1.00 0.00 H new ATOM 2086 N LEU A 132 -5.946 -6.461 9.892 1.00 0.00 N ATOM 2087 CA LEU A 132 -7.115 -6.553 9.024 1.00 0.00 C ATOM 2088 C LEU A 132 -7.461 -8.012 8.745 1.00 0.00 C ATOM 2089 O LEU A 132 -8.634 -8.378 8.673 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.843 -5.832 7.702 1.00 0.00 C ATOM 2091 CG LEU A 132 -8.067 -5.006 7.309 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -8.182 -3.788 8.230 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -7.918 -4.536 5.859 1.00 0.00 C ATOM 0 H LEU A 132 -5.117 -6.065 9.449 1.00 0.00 H new ATOM 0 HA LEU A 132 -7.957 -6.080 9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -5.971 -5.185 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -6.614 -6.557 6.921 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.964 -5.618 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -9.055 -3.200 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.286 -4.121 9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.286 -3.175 8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.790 -3.946 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -7.021 -3.924 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -7.837 -5.402 5.202 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.433 -8.838 8.589 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.636 -10.256 8.317 1.00 0.00 C ATOM 2107 C VAL A 133 -6.858 -11.026 9.615 1.00 0.00 C ATOM 2108 O VAL A 133 -7.724 -11.898 9.693 1.00 0.00 O ATOM 2109 CB VAL A 133 -5.418 -10.824 7.587 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -5.869 -11.900 6.596 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.710 -9.700 6.828 1.00 0.00 C ATOM 0 H VAL A 133 -5.455 -8.552 8.646 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.521 -10.364 7.690 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.734 -11.263 8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.000 -12.304 6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.375 -12.702 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.554 -11.462 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.842 -10.103 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -5.396 -9.262 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.387 -8.933 7.532 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.067 -10.699 10.633 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.182 -11.366 11.925 1.00 0.00 C ATOM 2123 C GLN A 134 -7.567 -11.148 12.527 1.00 0.00 C ATOM 2124 O GLN A 134 -8.160 -12.068 13.089 1.00 0.00 O ATOM 2125 CB GLN A 134 -5.117 -10.827 12.882 1.00 0.00 C ATOM 2126 CG GLN A 134 -4.842 -11.860 13.976 1.00 0.00 C ATOM 2127 CD GLN A 134 -3.884 -11.279 15.011 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -2.760 -10.904 14.677 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -4.264 -11.181 16.256 1.00 0.00 N ATOM 0 H GLN A 134 -5.344 -9.981 10.589 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.033 -12.435 11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.200 -10.608 12.336 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.454 -9.891 13.328 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.776 -12.151 14.456 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -4.414 -12.762 13.538 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.196 -11.492 16.531 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.629 -10.793 16.954 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.074 -9.924 12.410 1.00 0.00 N ATOM 2139 CA GLU A 135 -9.389 -9.598 12.952 1.00 0.00 C ATOM 2140 C GLU A 135 -10.496 -10.156 12.062 1.00 0.00 C ATOM 2141 O GLU A 135 -11.556 -10.551 12.549 1.00 0.00 O ATOM 2142 CB GLU A 135 -9.542 -8.079 13.066 1.00 0.00 C ATOM 2143 CG GLU A 135 -9.974 -7.506 11.716 1.00 0.00 C ATOM 2144 CD GLU A 135 -9.629 -6.023 11.644 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -9.210 -5.482 12.654 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -9.788 -5.449 10.579 1.00 0.00 O ATOM 0 H GLU A 135 -7.599 -9.148 11.949 1.00 0.00 H new ATOM 0 HA GLU A 135 -9.474 -10.051 13.940 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -10.280 -7.834 13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -8.599 -7.630 13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -9.477 -8.043 10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.046 -7.645 11.579 1.00 0.00 H new ATOM 2153 N GLN A 136 -10.246 -10.184 10.757 1.00 0.00 N ATOM 2154 CA GLN A 136 -11.234 -10.693 9.811 1.00 0.00 C ATOM 2155 C GLN A 136 -11.771 -12.046 10.270 1.00 0.00 C ATOM 2156 O GLN A 136 -12.973 -12.303 10.196 1.00 0.00 O ATOM 2157 CB GLN A 136 -10.602 -10.841 8.426 1.00 0.00 C ATOM 2158 CG GLN A 136 -11.546 -10.268 7.367 1.00 0.00 C ATOM 2159 CD GLN A 136 -12.968 -10.763 7.611 1.00 0.00 C ATOM 2160 OE1 GLN A 136 -13.859 -9.971 7.919 1.00 0.00 O ATOM 2161 NE2 GLN A 136 -13.235 -12.034 7.489 1.00 0.00 N ATOM 0 H GLN A 136 -9.376 -9.863 10.332 1.00 0.00 H new ATOM 0 HA GLN A 136 -12.060 -9.983 9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.645 -10.320 8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -10.400 -11.892 8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.521 -9.179 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.214 -10.567 6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.495 -12.688 7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.183 -12.374 7.649 1.00 0.00 H new ATOM 2170 N THR A 137 -10.873 -12.905 10.739 1.00 0.00 N ATOM 2171 CA THR A 137 -11.269 -14.231 11.202 1.00 0.00 C ATOM 2172 C THR A 137 -11.277 -14.293 12.726 1.00 0.00 C ATOM 2173 O THR A 137 -10.854 -15.286 13.318 1.00 0.00 O ATOM 2174 CB THR A 137 -10.304 -15.283 10.651 1.00 0.00 C ATOM 2175 OG1 THR A 137 -8.998 -15.033 11.152 1.00 0.00 O ATOM 2176 CG2 THR A 137 -10.287 -15.213 9.121 1.00 0.00 C ATOM 0 H THR A 137 -9.874 -12.710 10.809 1.00 0.00 H new ATOM 0 HA THR A 137 -12.277 -14.434 10.840 1.00 0.00 H new ATOM 0 HB THR A 137 -10.631 -16.275 10.963 1.00 0.00 H new ATOM 0 HG1 THR A 137 -8.379 -15.707 10.802 1.00 0.00 H new ATOM 0 HG21 THR A 137 -9.599 -15.963 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.289 -15.404 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 137 -9.961 -14.222 8.806 1.00 0.00 H new ATOM 2184 N LYS A 138 -11.766 -13.228 13.355 1.00 0.00 N ATOM 2185 CA LYS A 138 -11.828 -13.176 14.812 1.00 0.00 C ATOM 2186 C LYS A 138 -12.477 -14.442 15.364 1.00 0.00 C ATOM 2187 O LYS A 138 -13.194 -15.144 14.651 1.00 0.00 O ATOM 2188 CB LYS A 138 -12.635 -11.952 15.252 1.00 0.00 C ATOM 2189 CG LYS A 138 -13.983 -11.944 14.529 1.00 0.00 C ATOM 2190 CD LYS A 138 -14.784 -10.712 14.951 1.00 0.00 C ATOM 2191 CE LYS A 138 -15.419 -10.071 13.716 1.00 0.00 C ATOM 2192 NZ LYS A 138 -16.376 -11.029 13.096 1.00 0.00 N ATOM 0 H LYS A 138 -12.122 -12.396 12.884 1.00 0.00 H new ATOM 0 HA LYS A 138 -10.813 -13.103 15.202 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -12.789 -11.973 16.331 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -12.084 -11.039 15.026 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -13.828 -11.938 13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -14.540 -12.851 14.766 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -15.557 -10.995 15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -14.133 -9.996 15.452 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -15.936 -9.153 13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -14.646 -9.796 12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -16.953 -10.533 12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -15.848 -11.798 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -16.995 -11.426 13.831 1.00 0.00 H new ATOM 2206 N GLU A 139 -12.220 -14.728 16.636 1.00 0.00 N ATOM 2207 CA GLU A 139 -12.785 -15.913 17.271 1.00 0.00 C ATOM 2208 C GLU A 139 -13.961 -15.535 18.167 1.00 0.00 C ATOM 2209 O GLU A 139 -14.138 -14.368 18.516 1.00 0.00 O ATOM 2210 CB GLU A 139 -11.713 -16.621 18.102 1.00 0.00 C ATOM 2211 CG GLU A 139 -10.532 -16.993 17.203 1.00 0.00 C ATOM 2212 CD GLU A 139 -10.627 -18.460 16.798 1.00 0.00 C ATOM 2213 OE1 GLU A 139 -11.738 -18.948 16.666 1.00 0.00 O ATOM 2214 OE2 GLU A 139 -9.587 -19.074 16.626 1.00 0.00 O ATOM 0 H GLU A 139 -11.629 -14.161 17.243 1.00 0.00 H new ATOM 0 HA GLU A 139 -13.142 -16.585 16.490 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -11.377 -15.972 18.911 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -12.128 -17.517 18.564 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.527 -16.361 16.315 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.594 -16.812 17.728 1.00 0.00 H new TER 2221 GLU A 139