USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 937 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 66 MET CE :methyl -162:sc=-0.00976 (180deg=-0.155) USER MOD Set 1.2: A 82 GLN : amide:sc= -1.99 K(o=-2,f=-0.83!) USER MOD Set 2.1: A 77 GLN : amide:sc= -0.998! C(o=-2.5!,f=-10!) USER MOD Set 2.2: A 79 HIS : no HD1:sc= -1.45 K(o=-2.5,f=-13!) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -108:sc= -2.23! (180deg=-5.85!) USER MOD Set 3.2: A 19 ASN : amide:sc= -0.781 K(o=-3,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.125) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= 0.0349 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.518 USER MOD Single : A 20 THR OG1 : rot 150:sc= -4.76! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -140:sc= -6.09! (180deg=-11.5!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.92! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 0.431 (180deg=0.15) USER MOD Single : A 40 SER OG : rot 180:sc= -0.261 USER MOD Single : A 42 ASN : amide:sc= -5.34! C(o=-5.3!,f=-4.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -170:sc= -2.74! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 94:sc= -0.48! USER MOD Single : A 57 SER OG : rot 38:sc= 0.406 USER MOD Single : A 59 CYS SG : rot 180:sc= -1.3! USER MOD Single : A 60 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.37) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -75:sc= 0.046 USER MOD Single : A 73 THR OG1 : rot 170:sc= -0.0634 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.833 USER MOD Single : A 108 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-0.1) USER MOD Single : A 109 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.055) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 111 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-1.6) USER MOD Single : A 112 HIS : no HD1:sc=-0.00166 X(o=-0.0017,f=-0.3) USER MOD Single : A 113 HIS : no HD1:sc= -0.644 X(o=-0.64,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.653 17.676 7.586 1.00 0.00 N ATOM 2 CA MET A 1 -9.667 18.470 6.836 1.00 0.00 C ATOM 3 C MET A 1 -9.813 17.906 5.422 1.00 0.00 C ATOM 4 O MET A 1 -10.707 17.132 5.141 1.00 0.00 O ATOM 5 CB MET A 1 -9.216 19.930 6.759 1.00 0.00 C ATOM 6 CG MET A 1 -9.928 20.742 7.841 1.00 0.00 C ATOM 7 SD MET A 1 -10.008 22.478 7.337 1.00 0.00 S ATOM 8 CE MET A 1 -9.893 23.199 8.992 1.00 0.00 C ATOM 0 H1 MET A 1 -8.674 17.946 8.590 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.869 16.663 7.495 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.707 17.865 7.197 1.00 0.00 H new ATOM 0 HA MET A 1 -10.626 18.413 7.350 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.136 19.995 6.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.441 20.340 5.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.933 20.352 8.001 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.396 20.651 8.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.924 24.286 8.918 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.730 22.853 9.599 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.956 22.893 9.458 1.00 0.00 H new ATOM 20 N GLU A 2 -8.941 18.286 4.529 1.00 0.00 N ATOM 21 CA GLU A 2 -9.030 17.770 3.134 1.00 0.00 C ATOM 22 C GLU A 2 -8.600 16.298 3.100 1.00 0.00 C ATOM 23 O GLU A 2 -9.312 15.463 2.579 1.00 0.00 O ATOM 24 CB GLU A 2 -8.115 18.592 2.224 1.00 0.00 C ATOM 25 CG GLU A 2 -8.965 19.509 1.343 1.00 0.00 C ATOM 26 CD GLU A 2 -8.260 19.726 0.002 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.041 19.771 -0.004 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.952 19.844 -0.996 1.00 0.00 O ATOM 0 H GLU A 2 -8.171 18.931 4.705 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.059 17.853 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.424 19.184 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.511 17.930 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.948 19.067 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.123 20.465 1.842 1.00 0.00 H new ATOM 35 N PRO A 3 -7.447 16.023 3.659 1.00 0.00 N ATOM 36 CA PRO A 3 -6.919 14.667 3.700 1.00 0.00 C ATOM 37 C PRO A 3 -7.988 13.698 4.214 1.00 0.00 C ATOM 38 O PRO A 3 -8.545 13.881 5.278 1.00 0.00 O ATOM 39 CB PRO A 3 -5.749 14.741 4.673 1.00 0.00 C ATOM 40 CG PRO A 3 -5.308 16.237 4.604 1.00 0.00 C ATOM 41 CD PRO A 3 -6.598 17.047 4.288 1.00 0.00 C ATOM 0 HA PRO A 3 -6.615 14.306 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.048 14.457 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.941 14.071 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.866 16.558 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.554 16.387 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.053 17.459 5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.402 17.884 3.618 1.00 0.00 H new ATOM 49 N LYS A 4 -8.280 12.670 3.465 1.00 0.00 N ATOM 50 CA LYS A 4 -9.312 11.693 3.911 1.00 0.00 C ATOM 51 C LYS A 4 -8.936 10.289 3.431 1.00 0.00 C ATOM 52 O LYS A 4 -9.562 9.735 2.550 1.00 0.00 O ATOM 53 CB LYS A 4 -10.669 12.088 3.327 1.00 0.00 C ATOM 54 CG LYS A 4 -10.573 12.152 1.801 1.00 0.00 C ATOM 55 CD LYS A 4 -11.355 13.364 1.291 1.00 0.00 C ATOM 56 CE LYS A 4 -12.044 13.009 -0.028 1.00 0.00 C ATOM 57 NZ LYS A 4 -13.397 12.449 0.253 1.00 0.00 N ATOM 0 H LYS A 4 -7.848 12.465 2.564 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.368 11.696 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.428 11.364 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.979 13.055 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.529 12.224 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.972 11.237 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.096 13.669 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.682 14.209 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.129 13.896 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.446 12.284 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.866 12.208 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.304 11.593 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.966 13.155 0.762 1.00 0.00 H new ATOM 71 N ARG A 5 -7.919 9.709 4.008 1.00 0.00 N ATOM 72 CA ARG A 5 -7.504 8.339 3.590 1.00 0.00 C ATOM 73 C ARG A 5 -7.628 7.387 4.783 1.00 0.00 C ATOM 74 O ARG A 5 -7.802 7.810 5.908 1.00 0.00 O ATOM 75 CB ARG A 5 -6.051 8.369 3.108 1.00 0.00 C ATOM 76 CG ARG A 5 -5.979 9.044 1.737 1.00 0.00 C ATOM 77 CD ARG A 5 -5.039 10.249 1.809 1.00 0.00 C ATOM 78 NE ARG A 5 -5.718 11.444 1.233 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.113 12.601 1.229 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.380 12.959 2.248 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.241 13.401 0.205 1.00 0.00 N ATOM 0 H ARG A 5 -7.357 10.125 4.751 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.146 7.994 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.431 8.909 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.657 7.355 3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.622 8.335 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.973 9.363 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.756 10.442 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.120 10.040 1.261 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.656 11.358 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.279 12.335 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.908 13.863 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.814 13.122 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.768 14.305 0.202 1.00 0.00 H new ATOM 95 N ILE A 6 -7.541 6.106 4.547 1.00 0.00 N ATOM 96 CA ILE A 6 -7.657 5.133 5.672 1.00 0.00 C ATOM 97 C ILE A 6 -6.378 5.164 6.512 1.00 0.00 C ATOM 98 O ILE A 6 -6.411 5.415 7.700 1.00 0.00 O ATOM 99 CB ILE A 6 -7.860 3.722 5.111 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.277 3.595 4.548 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.663 2.692 6.227 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.461 2.203 3.942 1.00 0.00 C ATOM 0 H ILE A 6 -7.395 5.691 3.627 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.509 5.404 6.295 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.134 3.541 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.010 3.759 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.449 4.359 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.808 1.689 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.654 2.780 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.387 2.873 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.470 2.111 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.737 2.057 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.307 1.448 4.712 1.00 0.00 H new ATOM 114 N ARG A 7 -5.252 4.901 5.907 1.00 0.00 N ATOM 115 CA ARG A 7 -3.975 4.907 6.677 1.00 0.00 C ATOM 116 C ARG A 7 -2.878 5.586 5.856 1.00 0.00 C ATOM 117 O ARG A 7 -2.382 5.037 4.893 1.00 0.00 O ATOM 118 CB ARG A 7 -3.564 3.468 6.982 1.00 0.00 C ATOM 119 CG ARG A 7 -3.569 3.247 8.493 1.00 0.00 C ATOM 120 CD ARG A 7 -2.180 3.559 9.048 1.00 0.00 C ATOM 121 NE ARG A 7 -2.243 4.787 9.889 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.148 5.291 10.389 1.00 0.00 C ATOM 123 NH1 ARG A 7 -0.053 4.582 10.409 1.00 0.00 N ATOM 124 NH2 ARG A 7 -1.147 6.505 10.868 1.00 0.00 N ATOM 0 H ARG A 7 -5.161 4.683 4.915 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.117 5.455 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.251 2.772 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.572 3.268 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.315 3.887 8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.843 2.217 8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.816 2.719 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.474 3.702 8.230 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.141 5.234 10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.053 3.634 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.803 4.976 10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.002 7.060 10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.291 6.898 11.259 1.00 0.00 H new ATOM 138 N GLU A 8 -2.490 6.774 6.232 1.00 0.00 N ATOM 139 CA GLU A 8 -1.419 7.479 5.472 1.00 0.00 C ATOM 140 C GLU A 8 -0.164 7.589 6.336 1.00 0.00 C ATOM 141 O GLU A 8 -0.234 7.773 7.534 1.00 0.00 O ATOM 142 CB GLU A 8 -1.887 8.884 5.085 1.00 0.00 C ATOM 143 CG GLU A 8 -2.290 9.661 6.340 1.00 0.00 C ATOM 144 CD GLU A 8 -3.619 10.377 6.092 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.123 10.284 4.985 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.109 11.008 7.014 1.00 0.00 O ATOM 0 H GLU A 8 -2.867 7.286 7.030 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.196 6.911 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.090 9.411 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.732 8.820 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.383 8.981 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.517 10.385 6.596 1.00 0.00 H new ATOM 153 N GLY A 9 0.983 7.480 5.731 1.00 0.00 N ATOM 154 CA GLY A 9 2.246 7.581 6.499 1.00 0.00 C ATOM 155 C GLY A 9 3.390 7.838 5.523 1.00 0.00 C ATOM 156 O GLY A 9 3.206 8.422 4.474 1.00 0.00 O ATOM 0 H GLY A 9 1.098 7.324 4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.182 8.389 7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.424 6.662 7.057 1.00 0.00 H new ATOM 160 N TYR A 10 4.565 7.404 5.857 1.00 0.00 N ATOM 161 CA TYR A 10 5.725 7.624 4.950 1.00 0.00 C ATOM 162 C TYR A 10 6.683 6.432 5.023 1.00 0.00 C ATOM 163 O TYR A 10 7.532 6.359 5.889 1.00 0.00 O ATOM 164 CB TYR A 10 6.462 8.898 5.370 1.00 0.00 C ATOM 165 CG TYR A 10 7.036 8.720 6.755 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.179 8.608 7.858 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.424 8.671 6.938 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.710 8.446 9.144 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.955 8.510 8.224 1.00 0.00 C ATOM 170 CZ TYR A 10 8.098 8.398 9.326 1.00 0.00 C ATOM 171 OH TYR A 10 8.621 8.239 10.593 1.00 0.00 O ATOM 0 H TYR A 10 4.777 6.904 6.721 1.00 0.00 H new ATOM 0 HA TYR A 10 5.364 7.727 3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.260 9.119 4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.778 9.747 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.109 8.647 7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.084 8.757 6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.050 8.358 9.994 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.025 8.472 8.366 1.00 0.00 H new ATOM 0 HH TYR A 10 9.600 8.225 10.544 1.00 0.00 H new ATOM 181 N LEU A 11 6.566 5.504 4.112 1.00 0.00 N ATOM 182 CA LEU A 11 7.490 4.331 4.130 1.00 0.00 C ATOM 183 C LEU A 11 8.286 4.302 2.827 1.00 0.00 C ATOM 184 O LEU A 11 7.928 4.941 1.857 1.00 0.00 O ATOM 185 CB LEU A 11 6.704 3.021 4.259 1.00 0.00 C ATOM 186 CG LEU A 11 5.492 3.200 5.178 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.862 4.072 6.381 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.359 3.854 4.389 1.00 0.00 C ATOM 0 H LEU A 11 5.876 5.506 3.361 1.00 0.00 H new ATOM 0 HA LEU A 11 8.158 4.427 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.373 2.692 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.353 2.240 4.654 1.00 0.00 H new ATOM 0 HG LEU A 11 5.170 2.225 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.991 4.191 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.666 3.596 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.192 5.051 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.492 3.985 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.686 4.826 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.089 3.218 3.546 1.00 0.00 H new ATOM 200 N VAL A 12 9.359 3.563 2.790 1.00 0.00 N ATOM 201 CA VAL A 12 10.167 3.498 1.540 1.00 0.00 C ATOM 202 C VAL A 12 9.589 2.416 0.627 1.00 0.00 C ATOM 203 O VAL A 12 9.339 1.303 1.045 1.00 0.00 O ATOM 204 CB VAL A 12 11.626 3.178 1.885 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.672 2.099 2.967 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.357 2.680 0.635 1.00 0.00 C ATOM 0 H VAL A 12 9.711 3.003 3.567 1.00 0.00 H new ATOM 0 HA VAL A 12 10.132 4.459 1.026 1.00 0.00 H new ATOM 0 HB VAL A 12 12.114 4.081 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.710 1.873 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.159 2.457 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.180 1.197 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.393 2.454 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.869 1.779 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.330 3.452 -0.134 1.00 0.00 H new ATOM 216 N LYS A 13 9.368 2.740 -0.617 1.00 0.00 N ATOM 217 CA LYS A 13 8.797 1.735 -1.556 1.00 0.00 C ATOM 218 C LYS A 13 9.740 1.545 -2.744 1.00 0.00 C ATOM 219 O LYS A 13 10.241 2.494 -3.312 1.00 0.00 O ATOM 220 CB LYS A 13 7.436 2.222 -2.058 1.00 0.00 C ATOM 221 CG LYS A 13 6.454 1.049 -2.089 1.00 0.00 C ATOM 222 CD LYS A 13 5.266 1.352 -1.174 1.00 0.00 C ATOM 223 CE LYS A 13 4.299 0.166 -1.181 1.00 0.00 C ATOM 224 NZ LYS A 13 3.026 0.560 -0.515 1.00 0.00 N ATOM 0 H LYS A 13 9.558 3.656 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 13 8.676 0.784 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.057 3.010 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.537 2.652 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.107 0.878 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.952 0.135 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.615 1.544 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.755 2.254 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.103 -0.151 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.745 -0.684 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.231 0.061 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.069 0.308 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.888 1.587 -0.609 1.00 0.00 H new ATOM 238 N LYS A 14 9.981 0.321 -3.124 1.00 0.00 N ATOM 239 CA LYS A 14 10.886 0.061 -4.276 1.00 0.00 C ATOM 240 C LYS A 14 10.036 -0.245 -5.515 1.00 0.00 C ATOM 241 O LYS A 14 9.555 -1.347 -5.692 1.00 0.00 O ATOM 242 CB LYS A 14 11.796 -1.133 -3.935 1.00 0.00 C ATOM 243 CG LYS A 14 12.209 -1.889 -5.206 1.00 0.00 C ATOM 244 CD LYS A 14 12.735 -0.904 -6.251 1.00 0.00 C ATOM 245 CE LYS A 14 12.050 -1.175 -7.593 1.00 0.00 C ATOM 246 NZ LYS A 14 12.296 -0.033 -8.517 1.00 0.00 N ATOM 0 H LYS A 14 9.589 -0.512 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 14 11.508 0.932 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.685 -0.780 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.276 -1.810 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.977 -2.625 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.356 -2.437 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.542 0.120 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.815 -1.008 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.433 -2.098 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.979 -1.313 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.418 0.512 -8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.034 0.583 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.608 -0.395 -9.441 1.00 0.00 H new ATOM 260 N GLY A 15 9.844 0.721 -6.372 1.00 0.00 N ATOM 261 CA GLY A 15 9.024 0.479 -7.593 1.00 0.00 C ATOM 262 C GLY A 15 8.673 1.814 -8.252 1.00 0.00 C ATOM 263 O GLY A 15 7.663 2.418 -7.952 1.00 0.00 O ATOM 0 H GLY A 15 10.219 1.665 -6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.574 -0.150 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.113 -0.058 -7.330 1.00 0.00 H new ATOM 267 N SER A 16 9.499 2.276 -9.152 1.00 0.00 N ATOM 268 CA SER A 16 9.219 3.571 -9.836 1.00 0.00 C ATOM 269 C SER A 16 10.506 4.094 -10.474 1.00 0.00 C ATOM 270 O SER A 16 10.504 4.602 -11.578 1.00 0.00 O ATOM 271 CB SER A 16 8.708 4.591 -8.818 1.00 0.00 C ATOM 272 OG SER A 16 9.405 4.418 -7.591 1.00 0.00 O ATOM 0 H SER A 16 10.358 1.810 -9.444 1.00 0.00 H new ATOM 0 HA SER A 16 8.462 3.418 -10.605 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.856 5.603 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.637 4.462 -8.663 1.00 0.00 H new ATOM 0 HG SER A 16 9.081 5.071 -6.936 1.00 0.00 H new ATOM 278 N VAL A 17 11.607 3.975 -9.785 1.00 0.00 N ATOM 279 CA VAL A 17 12.897 4.467 -10.345 1.00 0.00 C ATOM 280 C VAL A 17 13.699 3.284 -10.897 1.00 0.00 C ATOM 281 O VAL A 17 13.146 2.350 -11.442 1.00 0.00 O ATOM 282 CB VAL A 17 13.693 5.157 -9.237 1.00 0.00 C ATOM 283 CG1 VAL A 17 12.824 6.227 -8.573 1.00 0.00 C ATOM 284 CG2 VAL A 17 14.109 4.119 -8.194 1.00 0.00 C ATOM 0 H VAL A 17 11.669 3.557 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 17 12.703 5.175 -11.150 1.00 0.00 H new ATOM 0 HB VAL A 17 14.581 5.625 -9.662 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.392 6.718 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.524 6.965 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.936 5.761 -8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.677 4.607 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.220 3.654 -7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 17 14.727 3.356 -8.667 1.00 0.00 H new ATOM 294 N PHE A 18 14.999 3.317 -10.767 1.00 0.00 N ATOM 295 CA PHE A 18 15.827 2.194 -11.292 1.00 0.00 C ATOM 296 C PHE A 18 16.094 1.181 -10.175 1.00 0.00 C ATOM 297 O PHE A 18 17.191 1.080 -9.663 1.00 0.00 O ATOM 298 CB PHE A 18 17.157 2.743 -11.813 1.00 0.00 C ATOM 299 CG PHE A 18 16.919 3.485 -13.107 1.00 0.00 C ATOM 300 CD1 PHE A 18 16.152 2.895 -14.120 1.00 0.00 C ATOM 301 CD2 PHE A 18 17.464 4.762 -13.293 1.00 0.00 C ATOM 302 CE1 PHE A 18 15.929 3.584 -15.320 1.00 0.00 C ATOM 303 CE2 PHE A 18 17.242 5.450 -14.494 1.00 0.00 C ATOM 304 CZ PHE A 18 16.474 4.861 -15.507 1.00 0.00 C ATOM 0 H PHE A 18 15.521 4.071 -10.321 1.00 0.00 H new ATOM 0 HA PHE A 18 15.292 1.701 -12.104 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.602 3.410 -11.075 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.863 1.928 -11.973 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.733 1.910 -13.976 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.055 5.216 -12.511 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.337 3.130 -16.101 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.663 6.434 -14.638 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.302 5.391 -16.432 1.00 0.00 H new ATOM 314 N ASN A 19 15.098 0.426 -9.799 1.00 0.00 N ATOM 315 CA ASN A 19 15.289 -0.588 -8.721 1.00 0.00 C ATOM 316 C ASN A 19 16.086 0.020 -7.566 1.00 0.00 C ATOM 317 O ASN A 19 17.297 -0.069 -7.521 1.00 0.00 O ATOM 318 CB ASN A 19 16.051 -1.789 -9.283 1.00 0.00 C ATOM 319 CG ASN A 19 15.463 -2.180 -10.640 1.00 0.00 C ATOM 320 OD1 ASN A 19 14.424 -1.686 -11.030 1.00 0.00 O ATOM 321 ND2 ASN A 19 16.090 -3.053 -11.380 1.00 0.00 N ATOM 0 H ASN A 19 14.158 0.467 -10.192 1.00 0.00 H new ATOM 0 HA ASN A 19 14.313 -0.907 -8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.108 -1.544 -9.390 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.987 -2.629 -8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.708 -3.321 -12.287 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.962 -3.467 -11.052 1.00 0.00 H new ATOM 328 N THR A 20 15.417 0.630 -6.626 1.00 0.00 N ATOM 329 CA THR A 20 16.139 1.232 -5.470 1.00 0.00 C ATOM 330 C THR A 20 15.271 1.130 -4.217 1.00 0.00 C ATOM 331 O THR A 20 14.329 0.364 -4.161 1.00 0.00 O ATOM 332 CB THR A 20 16.433 2.705 -5.755 1.00 0.00 C ATOM 333 OG1 THR A 20 15.214 3.391 -5.999 1.00 0.00 O ATOM 334 CG2 THR A 20 17.344 2.821 -6.978 1.00 0.00 C ATOM 0 H THR A 20 14.403 0.737 -6.609 1.00 0.00 H new ATOM 0 HA THR A 20 17.075 0.696 -5.315 1.00 0.00 H new ATOM 0 HB THR A 20 16.932 3.149 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.301 4.324 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.552 3.872 -7.179 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.280 2.296 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.851 2.377 -7.843 1.00 0.00 H new ATOM 342 N TRP A 21 15.581 1.900 -3.211 1.00 0.00 N ATOM 343 CA TRP A 21 14.777 1.852 -1.962 1.00 0.00 C ATOM 344 C TRP A 21 14.831 3.213 -1.273 1.00 0.00 C ATOM 345 O TRP A 21 15.810 3.562 -0.643 1.00 0.00 O ATOM 346 CB TRP A 21 15.349 0.786 -1.032 1.00 0.00 C ATOM 347 CG TRP A 21 14.520 -0.446 -1.147 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.587 -1.332 -2.165 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.494 -0.936 -0.240 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.668 -2.342 -1.938 1.00 0.00 N ATOM 351 CE2 TRP A 21 12.969 -2.141 -0.762 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.974 -0.454 0.977 1.00 0.00 C ATOM 353 CZ2 TRP A 21 11.962 -2.845 -0.099 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.960 -1.158 1.646 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.455 -2.351 1.109 1.00 0.00 C ATOM 0 H TRP A 21 16.358 2.561 -3.202 1.00 0.00 H new ATOM 0 HA TRP A 21 13.742 1.607 -2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.384 0.570 -1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.351 1.145 -0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.249 -1.263 -3.016 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.524 -3.136 -2.561 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.358 0.463 1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.577 -3.764 -0.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.567 -0.779 2.578 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.675 -2.889 1.627 1.00 0.00 H new ATOM 366 N LYS A 22 13.789 3.989 -1.388 1.00 0.00 N ATOM 367 CA LYS A 22 13.795 5.328 -0.738 1.00 0.00 C ATOM 368 C LYS A 22 12.432 5.593 -0.081 1.00 0.00 C ATOM 369 O LYS A 22 11.404 5.232 -0.625 1.00 0.00 O ATOM 370 CB LYS A 22 14.073 6.401 -1.793 1.00 0.00 C ATOM 371 CG LYS A 22 15.333 6.028 -2.580 1.00 0.00 C ATOM 372 CD LYS A 22 16.573 6.459 -1.792 1.00 0.00 C ATOM 373 CE LYS A 22 17.709 5.466 -2.043 1.00 0.00 C ATOM 374 NZ LYS A 22 18.849 5.774 -1.134 1.00 0.00 N ATOM 0 H LYS A 22 12.939 3.755 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 22 14.572 5.356 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.222 6.491 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.204 7.372 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.358 4.953 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.322 6.513 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.878 7.461 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.343 6.503 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.360 4.447 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.033 5.523 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.621 5.099 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.187 6.740 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.535 5.698 -0.145 1.00 0.00 H new ATOM 388 N PRO A 23 12.464 6.224 1.071 1.00 0.00 N ATOM 389 CA PRO A 23 11.248 6.550 1.805 1.00 0.00 C ATOM 390 C PRO A 23 10.274 7.297 0.888 1.00 0.00 C ATOM 391 O PRO A 23 10.663 7.848 -0.122 1.00 0.00 O ATOM 392 CB PRO A 23 11.715 7.456 2.940 1.00 0.00 C ATOM 393 CG PRO A 23 13.215 7.069 3.125 1.00 0.00 C ATOM 394 CD PRO A 23 13.717 6.647 1.717 1.00 0.00 C ATOM 0 HA PRO A 23 10.728 5.666 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.601 8.510 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.142 7.285 3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.792 7.910 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.324 6.254 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.193 7.472 1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.446 5.838 1.767 1.00 0.00 H new ATOM 402 N MET A 24 9.014 7.323 1.227 1.00 0.00 N ATOM 403 CA MET A 24 8.033 8.038 0.366 1.00 0.00 C ATOM 404 C MET A 24 6.707 8.199 1.109 1.00 0.00 C ATOM 405 O MET A 24 6.462 7.558 2.113 1.00 0.00 O ATOM 406 CB MET A 24 7.806 7.235 -0.922 1.00 0.00 C ATOM 407 CG MET A 24 6.789 6.110 -0.687 1.00 0.00 C ATOM 408 SD MET A 24 5.247 6.502 -1.550 1.00 0.00 S ATOM 409 CE MET A 24 5.688 5.769 -3.145 1.00 0.00 C ATOM 0 H MET A 24 8.624 6.882 2.060 1.00 0.00 H new ATOM 0 HA MET A 24 8.424 9.025 0.118 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.448 7.897 -1.711 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.751 6.813 -1.264 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.189 5.162 -1.047 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.601 5.992 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.332 6.411 -3.951 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.771 5.669 -3.212 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.226 4.786 -3.234 1.00 0.00 H new ATOM 419 N TRP A 25 5.839 9.029 0.604 1.00 0.00 N ATOM 420 CA TRP A 25 4.520 9.203 1.262 1.00 0.00 C ATOM 421 C TRP A 25 3.539 8.244 0.613 1.00 0.00 C ATOM 422 O TRP A 25 3.573 8.021 -0.579 1.00 0.00 O ATOM 423 CB TRP A 25 4.025 10.640 1.086 1.00 0.00 C ATOM 424 CG TRP A 25 2.868 10.882 2.002 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.584 11.053 1.610 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.869 10.980 3.455 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.797 11.256 2.732 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.545 11.220 3.893 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.884 10.887 4.423 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.240 11.363 5.249 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.583 11.028 5.788 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.262 11.267 6.200 1.00 0.00 C ATOM 0 H TRP A 25 5.987 9.592 -0.234 1.00 0.00 H new ATOM 0 HA TRP A 25 4.608 8.997 2.329 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.829 11.343 1.304 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.726 10.809 0.052 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.231 11.034 0.590 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.211 11.413 2.704 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.903 10.706 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.222 11.546 5.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.371 10.952 6.523 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.035 11.377 7.250 1.00 0.00 H new ATOM 443 N VAL A 26 2.680 7.654 1.382 1.00 0.00 N ATOM 444 CA VAL A 26 1.719 6.694 0.788 1.00 0.00 C ATOM 445 C VAL A 26 0.419 6.697 1.595 1.00 0.00 C ATOM 446 O VAL A 26 0.429 6.650 2.809 1.00 0.00 O ATOM 447 CB VAL A 26 2.363 5.310 0.794 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.101 5.101 2.113 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.293 4.228 0.619 1.00 0.00 C ATOM 0 H VAL A 26 2.600 7.792 2.389 1.00 0.00 H new ATOM 0 HA VAL A 26 1.477 6.977 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 26 3.069 5.240 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.562 4.113 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.873 5.862 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.396 5.178 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.765 3.245 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.575 4.291 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.777 4.377 -0.329 1.00 0.00 H new ATOM 459 N VAL A 27 -0.703 6.766 0.928 1.00 0.00 N ATOM 460 CA VAL A 27 -2.004 6.789 1.655 1.00 0.00 C ATOM 461 C VAL A 27 -2.908 5.665 1.148 1.00 0.00 C ATOM 462 O VAL A 27 -3.379 5.690 0.027 1.00 0.00 O ATOM 463 CB VAL A 27 -2.696 8.132 1.416 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.979 9.225 2.209 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.646 8.473 -0.075 1.00 0.00 C ATOM 0 H VAL A 27 -0.774 6.807 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.818 6.650 2.720 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.734 8.067 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.473 10.182 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.012 8.984 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.941 9.289 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.139 9.430 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.607 8.537 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.156 7.695 -0.643 1.00 0.00 H new ATOM 475 N LEU A 28 -3.168 4.684 1.967 1.00 0.00 N ATOM 476 CA LEU A 28 -4.056 3.573 1.532 1.00 0.00 C ATOM 477 C LEU A 28 -5.510 4.006 1.714 1.00 0.00 C ATOM 478 O LEU A 28 -5.941 4.322 2.805 1.00 0.00 O ATOM 479 CB LEU A 28 -3.781 2.324 2.372 1.00 0.00 C ATOM 480 CG LEU A 28 -3.864 2.671 3.859 1.00 0.00 C ATOM 481 CD1 LEU A 28 -5.087 1.990 4.476 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.598 2.177 4.562 1.00 0.00 C ATOM 0 H LEU A 28 -2.804 4.605 2.917 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.865 3.340 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.504 1.545 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.794 1.926 2.137 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.953 3.751 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.145 2.238 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.989 2.336 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.999 0.910 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.652 2.422 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.514 1.097 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.725 2.660 4.122 1.00 0.00 H new ATOM 494 N LEU A 29 -6.267 4.037 0.651 1.00 0.00 N ATOM 495 CA LEU A 29 -7.689 4.462 0.763 1.00 0.00 C ATOM 496 C LEU A 29 -8.606 3.243 0.639 1.00 0.00 C ATOM 497 O LEU A 29 -8.185 2.172 0.246 1.00 0.00 O ATOM 498 CB LEU A 29 -8.007 5.463 -0.349 1.00 0.00 C ATOM 499 CG LEU A 29 -6.995 6.611 -0.307 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.897 6.360 -1.343 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.705 7.928 -0.628 1.00 0.00 C ATOM 0 H LEU A 29 -5.961 3.786 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.852 4.932 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.972 4.968 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.018 5.851 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.552 6.669 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.176 7.177 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.391 5.421 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.341 6.303 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.985 8.746 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.147 7.870 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.489 8.108 0.108 1.00 0.00 H new ATOM 513 N GLU A 30 -9.856 3.399 0.977 1.00 0.00 N ATOM 514 CA GLU A 30 -10.808 2.255 0.891 1.00 0.00 C ATOM 515 C GLU A 30 -11.115 1.944 -0.573 1.00 0.00 C ATOM 516 O GLU A 30 -11.776 0.973 -0.885 1.00 0.00 O ATOM 517 CB GLU A 30 -12.106 2.619 1.615 1.00 0.00 C ATOM 518 CG GLU A 30 -12.796 3.768 0.878 1.00 0.00 C ATOM 519 CD GLU A 30 -13.512 4.667 1.887 1.00 0.00 C ATOM 520 OE1 GLU A 30 -12.828 5.316 2.662 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.731 4.692 1.868 1.00 0.00 O ATOM 0 H GLU A 30 -10.261 4.274 1.311 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.359 1.379 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.766 1.753 1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.892 2.909 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.062 4.346 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.511 3.373 0.156 1.00 0.00 H new ATOM 528 N ASP A 31 -10.644 2.757 -1.477 1.00 0.00 N ATOM 529 CA ASP A 31 -10.916 2.498 -2.918 1.00 0.00 C ATOM 530 C ASP A 31 -9.595 2.262 -3.653 1.00 0.00 C ATOM 531 O ASP A 31 -9.573 1.997 -4.839 1.00 0.00 O ATOM 532 CB ASP A 31 -11.634 3.704 -3.529 1.00 0.00 C ATOM 533 CG ASP A 31 -10.649 4.864 -3.687 1.00 0.00 C ATOM 534 OD1 ASP A 31 -10.316 5.474 -2.684 1.00 0.00 O ATOM 535 OD2 ASP A 31 -10.244 5.122 -4.809 1.00 0.00 O ATOM 0 H ASP A 31 -10.084 3.587 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.547 1.615 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.054 3.436 -4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.466 4.005 -2.893 1.00 0.00 H new ATOM 540 N GLY A 32 -8.493 2.353 -2.960 1.00 0.00 N ATOM 541 CA GLY A 32 -7.177 2.132 -3.626 1.00 0.00 C ATOM 542 C GLY A 32 -6.081 2.859 -2.846 1.00 0.00 C ATOM 543 O GLY A 32 -6.306 3.906 -2.273 1.00 0.00 O ATOM 0 H GLY A 32 -8.446 2.570 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.957 1.066 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.211 2.498 -4.652 1.00 0.00 H new ATOM 547 N ILE A 33 -4.898 2.310 -2.817 1.00 0.00 N ATOM 548 CA ILE A 33 -3.790 2.967 -2.068 1.00 0.00 C ATOM 549 C ILE A 33 -2.927 3.789 -3.027 1.00 0.00 C ATOM 550 O ILE A 33 -2.137 3.256 -3.780 1.00 0.00 O ATOM 551 CB ILE A 33 -2.928 1.895 -1.400 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.823 0.964 -0.581 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.904 2.560 -0.478 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.027 -0.346 -1.344 1.00 0.00 C ATOM 0 H ILE A 33 -4.651 1.435 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.210 3.628 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.405 1.321 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.368 0.765 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.785 1.440 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.291 1.794 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.267 3.225 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.424 3.135 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.665 -1.011 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.500 -0.138 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.062 -0.824 -1.511 1.00 0.00 H new ATOM 566 N GLU A 34 -3.062 5.085 -2.992 1.00 0.00 N ATOM 567 CA GLU A 34 -2.241 5.947 -3.888 1.00 0.00 C ATOM 568 C GLU A 34 -1.107 6.558 -3.068 1.00 0.00 C ATOM 569 O GLU A 34 -1.332 7.125 -2.018 1.00 0.00 O ATOM 570 CB GLU A 34 -3.117 7.061 -4.465 1.00 0.00 C ATOM 571 CG GLU A 34 -3.639 7.936 -3.325 1.00 0.00 C ATOM 572 CD GLU A 34 -5.066 8.389 -3.639 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.585 7.977 -4.663 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.615 9.140 -2.849 1.00 0.00 O ATOM 0 H GLU A 34 -3.707 5.586 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.831 5.356 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.542 7.664 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.951 6.632 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.621 7.379 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.992 8.803 -3.193 1.00 0.00 H new ATOM 581 N PHE A 35 0.111 6.435 -3.516 1.00 0.00 N ATOM 582 CA PHE A 35 1.237 7.001 -2.721 1.00 0.00 C ATOM 583 C PHE A 35 2.069 7.968 -3.565 1.00 0.00 C ATOM 584 O PHE A 35 2.232 7.797 -4.757 1.00 0.00 O ATOM 585 CB PHE A 35 2.128 5.859 -2.228 1.00 0.00 C ATOM 586 CG PHE A 35 2.395 4.900 -3.362 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.204 5.293 -4.436 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.837 3.615 -3.339 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.454 4.403 -5.488 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.088 2.724 -4.391 1.00 0.00 C ATOM 591 CZ PHE A 35 2.897 3.119 -5.465 1.00 0.00 C ATOM 0 H PHE A 35 0.374 5.973 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 35 0.826 7.550 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.068 6.257 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.644 5.337 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.635 6.283 -4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.214 3.311 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.076 4.707 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.658 1.733 -4.374 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.091 2.432 -6.276 1.00 0.00 H new ATOM 601 N TYR A 36 2.609 8.978 -2.938 1.00 0.00 N ATOM 602 CA TYR A 36 3.454 9.961 -3.670 1.00 0.00 C ATOM 603 C TYR A 36 4.821 10.027 -2.981 1.00 0.00 C ATOM 604 O TYR A 36 5.312 9.040 -2.469 1.00 0.00 O ATOM 605 CB TYR A 36 2.799 11.348 -3.634 1.00 0.00 C ATOM 606 CG TYR A 36 1.298 11.216 -3.520 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.722 10.767 -2.324 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.481 11.553 -4.608 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.671 10.653 -2.216 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.912 11.441 -4.499 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.488 10.992 -3.304 1.00 0.00 C ATOM 612 OH TYR A 36 -2.860 10.885 -3.197 1.00 0.00 O ATOM 0 H TYR A 36 2.499 9.164 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 36 3.564 9.652 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.186 11.919 -2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.055 11.902 -4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.351 10.509 -1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.925 11.899 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.115 10.304 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.542 11.701 -5.337 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.276 11.160 -4.041 1.00 0.00 H new ATOM 622 N LYS A 37 5.437 11.177 -2.948 1.00 0.00 N ATOM 623 CA LYS A 37 6.762 11.289 -2.276 1.00 0.00 C ATOM 624 C LYS A 37 6.579 11.991 -0.928 1.00 0.00 C ATOM 625 O LYS A 37 7.144 11.597 0.073 1.00 0.00 O ATOM 626 CB LYS A 37 7.717 12.102 -3.153 1.00 0.00 C ATOM 627 CG LYS A 37 8.984 11.286 -3.421 1.00 0.00 C ATOM 628 CD LYS A 37 10.215 12.169 -3.209 1.00 0.00 C ATOM 629 CE LYS A 37 11.471 11.296 -3.169 1.00 0.00 C ATOM 630 NZ LYS A 37 12.198 11.412 -4.465 1.00 0.00 N ATOM 0 H LYS A 37 5.081 12.041 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 37 7.180 10.295 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.232 12.360 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.973 13.039 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.022 10.425 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.972 10.900 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.294 12.900 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.118 12.728 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.117 11.607 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.199 10.257 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.052 10.819 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.580 11.095 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.470 12.403 -4.623 1.00 0.00 H new ATOM 644 N LYS A 38 5.784 13.025 -0.897 1.00 0.00 N ATOM 645 CA LYS A 38 5.547 13.757 0.380 1.00 0.00 C ATOM 646 C LYS A 38 4.075 13.610 0.767 1.00 0.00 C ATOM 647 O LYS A 38 3.317 12.947 0.086 1.00 0.00 O ATOM 648 CB LYS A 38 5.876 15.238 0.185 1.00 0.00 C ATOM 649 CG LYS A 38 6.847 15.694 1.274 1.00 0.00 C ATOM 650 CD LYS A 38 7.543 16.983 0.832 1.00 0.00 C ATOM 651 CE LYS A 38 8.865 17.135 1.586 1.00 0.00 C ATOM 652 NZ LYS A 38 9.999 17.026 0.625 1.00 0.00 N ATOM 0 H LYS A 38 5.286 13.397 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 38 6.180 13.347 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.317 15.397 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.963 15.832 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.310 15.860 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.586 14.916 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.726 16.960 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.900 17.841 1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.897 18.098 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.949 16.366 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.899 17.129 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.971 16.097 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.920 17.776 -0.091 1.00 0.00 H new ATOM 666 N LYS A 39 3.654 14.222 1.843 1.00 0.00 N ATOM 667 CA LYS A 39 2.221 14.102 2.234 1.00 0.00 C ATOM 668 C LYS A 39 1.367 14.340 0.990 1.00 0.00 C ATOM 669 O LYS A 39 0.337 13.725 0.802 1.00 0.00 O ATOM 670 CB LYS A 39 1.884 15.130 3.320 1.00 0.00 C ATOM 671 CG LYS A 39 0.371 15.179 3.542 1.00 0.00 C ATOM 672 CD LYS A 39 -0.021 14.196 4.639 1.00 0.00 C ATOM 673 CE LYS A 39 0.834 14.443 5.880 1.00 0.00 C ATOM 674 NZ LYS A 39 0.197 13.795 7.061 1.00 0.00 N ATOM 0 H LYS A 39 4.233 14.792 2.460 1.00 0.00 H new ATOM 0 HA LYS A 39 2.021 13.109 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.388 14.867 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.249 16.114 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.067 16.188 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.150 14.933 2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.077 14.311 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.115 13.173 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.837 14.043 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.941 15.514 6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.564 14.226 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.833 13.928 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.415 12.778 7.059 1.00 0.00 H new ATOM 688 N SER A 40 1.810 15.209 0.124 1.00 0.00 N ATOM 689 CA SER A 40 1.049 15.468 -1.127 1.00 0.00 C ATOM 690 C SER A 40 1.987 16.038 -2.183 1.00 0.00 C ATOM 691 O SER A 40 1.920 17.204 -2.517 1.00 0.00 O ATOM 692 CB SER A 40 -0.081 16.468 -0.889 1.00 0.00 C ATOM 693 OG SER A 40 -0.291 16.625 0.508 1.00 0.00 O ATOM 0 H SER A 40 2.668 15.751 0.230 1.00 0.00 H new ATOM 0 HA SER A 40 0.620 14.524 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.169 17.428 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.996 16.119 -1.368 1.00 0.00 H new ATOM 0 HG SER A 40 -1.015 17.268 0.660 1.00 0.00 H new ATOM 699 N ASP A 41 2.839 15.225 -2.743 1.00 0.00 N ATOM 700 CA ASP A 41 3.740 15.738 -3.807 1.00 0.00 C ATOM 701 C ASP A 41 2.883 16.428 -4.865 1.00 0.00 C ATOM 702 O ASP A 41 3.373 17.183 -5.681 1.00 0.00 O ATOM 703 CB ASP A 41 4.507 14.575 -4.442 1.00 0.00 C ATOM 704 CG ASP A 41 5.599 15.124 -5.362 1.00 0.00 C ATOM 705 OD1 ASP A 41 6.354 15.970 -4.913 1.00 0.00 O ATOM 706 OD2 ASP A 41 5.662 14.688 -6.500 1.00 0.00 O ATOM 0 H ASP A 41 2.949 14.238 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 41 4.458 16.441 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.951 13.951 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.824 13.942 -5.008 1.00 0.00 H new ATOM 711 N ASN A 42 1.604 16.146 -4.850 1.00 0.00 N ATOM 712 CA ASN A 42 0.656 16.735 -5.830 1.00 0.00 C ATOM 713 C ASN A 42 0.570 15.789 -7.027 1.00 0.00 C ATOM 714 O ASN A 42 -0.359 15.832 -7.809 1.00 0.00 O ATOM 715 CB ASN A 42 1.129 18.120 -6.286 1.00 0.00 C ATOM 716 CG ASN A 42 1.587 18.929 -5.072 1.00 0.00 C ATOM 717 OD1 ASN A 42 2.604 19.593 -5.118 1.00 0.00 O ATOM 718 ND2 ASN A 42 0.875 18.903 -3.979 1.00 0.00 N ATOM 0 H ASN A 42 1.171 15.513 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.323 16.858 -5.367 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.947 18.020 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.321 18.641 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.172 19.440 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.021 18.346 -3.940 1.00 0.00 H new ATOM 725 N SER A 43 1.539 14.921 -7.158 1.00 0.00 N ATOM 726 CA SER A 43 1.538 13.945 -8.283 1.00 0.00 C ATOM 727 C SER A 43 1.915 12.563 -7.728 1.00 0.00 C ATOM 728 O SER A 43 3.007 12.384 -7.228 1.00 0.00 O ATOM 729 CB SER A 43 2.569 14.373 -9.328 1.00 0.00 C ATOM 730 OG SER A 43 2.542 13.457 -10.415 1.00 0.00 O ATOM 0 H SER A 43 2.337 14.848 -6.527 1.00 0.00 H new ATOM 0 HA SER A 43 0.552 13.907 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.350 15.381 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.564 14.400 -8.884 1.00 0.00 H new ATOM 0 HG SER A 43 3.200 13.729 -11.088 1.00 0.00 H new ATOM 736 N PRO A 44 1.000 11.627 -7.817 1.00 0.00 N ATOM 737 CA PRO A 44 1.231 10.279 -7.314 1.00 0.00 C ATOM 738 C PRO A 44 2.271 9.551 -8.172 1.00 0.00 C ATOM 739 O PRO A 44 2.326 9.718 -9.374 1.00 0.00 O ATOM 740 CB PRO A 44 -0.129 9.594 -7.413 1.00 0.00 C ATOM 741 CG PRO A 44 -0.855 10.393 -8.539 1.00 0.00 C ATOM 742 CD PRO A 44 -0.319 11.848 -8.428 1.00 0.00 C ATOM 0 HA PRO A 44 1.620 10.278 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.030 8.539 -7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.674 9.644 -6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.641 9.970 -9.521 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.937 10.362 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.244 12.333 -9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.959 12.475 -7.807 1.00 0.00 H new ATOM 750 N LYS A 45 3.090 8.740 -7.559 1.00 0.00 N ATOM 751 CA LYS A 45 4.122 7.994 -8.332 1.00 0.00 C ATOM 752 C LYS A 45 3.534 6.657 -8.782 1.00 0.00 C ATOM 753 O LYS A 45 3.953 6.079 -9.765 1.00 0.00 O ATOM 754 CB LYS A 45 5.347 7.732 -7.447 1.00 0.00 C ATOM 755 CG LYS A 45 5.616 8.945 -6.552 1.00 0.00 C ATOM 756 CD LYS A 45 6.343 10.024 -7.358 1.00 0.00 C ATOM 757 CE LYS A 45 7.262 10.822 -6.430 1.00 0.00 C ATOM 758 NZ LYS A 45 8.494 11.215 -7.170 1.00 0.00 N ATOM 0 H LYS A 45 3.088 8.562 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 45 4.423 8.583 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.180 6.847 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.219 7.528 -8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.677 9.338 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.219 8.650 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.925 9.566 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.620 10.689 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.746 11.710 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.524 10.224 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.119 11.757 -6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.989 10.361 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.235 11.801 -7.989 1.00 0.00 H new ATOM 772 N GLY A 46 2.563 6.163 -8.065 1.00 0.00 N ATOM 773 CA GLY A 46 1.941 4.864 -8.441 1.00 0.00 C ATOM 774 C GLY A 46 0.765 4.575 -7.507 1.00 0.00 C ATOM 775 O GLY A 46 0.749 4.990 -6.362 1.00 0.00 O ATOM 0 H GLY A 46 2.173 6.605 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.598 4.898 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.677 4.063 -8.375 1.00 0.00 H new ATOM 779 N MET A 47 -0.221 3.868 -7.985 1.00 0.00 N ATOM 780 CA MET A 47 -1.393 3.552 -7.125 1.00 0.00 C ATOM 781 C MET A 47 -1.507 2.039 -6.955 1.00 0.00 C ATOM 782 O MET A 47 -0.880 1.274 -7.660 1.00 0.00 O ATOM 783 CB MET A 47 -2.671 4.080 -7.781 1.00 0.00 C ATOM 784 CG MET A 47 -2.498 5.561 -8.118 1.00 0.00 C ATOM 785 SD MET A 47 -3.848 6.096 -9.199 1.00 0.00 S ATOM 786 CE MET A 47 -3.184 7.733 -9.596 1.00 0.00 C ATOM 0 H MET A 47 -0.265 3.496 -8.934 1.00 0.00 H new ATOM 0 HA MET A 47 -1.260 4.024 -6.151 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.888 3.513 -8.686 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.519 3.946 -7.110 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.493 6.155 -7.204 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.539 5.723 -8.609 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.870 8.251 -10.266 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.067 8.310 -8.679 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.215 7.624 -10.083 1.00 0.00 H new ATOM 796 N ILE A 48 -2.312 1.605 -6.030 1.00 0.00 N ATOM 797 CA ILE A 48 -2.484 0.144 -5.816 1.00 0.00 C ATOM 798 C ILE A 48 -3.982 -0.171 -5.815 1.00 0.00 C ATOM 799 O ILE A 48 -4.745 0.493 -5.143 1.00 0.00 O ATOM 800 CB ILE A 48 -1.877 -0.252 -4.469 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.454 0.303 -4.367 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.836 -1.777 -4.355 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.128 -0.035 -2.994 1.00 0.00 C ATOM 0 H ILE A 48 -2.861 2.201 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.983 -0.413 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.487 0.157 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.171 -0.122 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.462 1.383 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.403 -2.059 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.848 -2.175 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.227 -2.186 -5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.141 0.360 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.492 0.411 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.150 -1.117 -2.865 1.00 0.00 H new ATOM 815 N PRO A 49 -4.368 -1.168 -6.568 1.00 0.00 N ATOM 816 CA PRO A 49 -5.766 -1.554 -6.653 1.00 0.00 C ATOM 817 C PRO A 49 -6.213 -2.177 -5.329 1.00 0.00 C ATOM 818 O PRO A 49 -5.518 -2.985 -4.746 1.00 0.00 O ATOM 819 CB PRO A 49 -5.814 -2.577 -7.783 1.00 0.00 C ATOM 820 CG PRO A 49 -4.361 -3.148 -7.818 1.00 0.00 C ATOM 821 CD PRO A 49 -3.442 -1.974 -7.378 1.00 0.00 C ATOM 0 HA PRO A 49 -6.429 -0.710 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.548 -3.358 -7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.087 -2.115 -8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.258 -4.000 -7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.101 -3.497 -8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.584 -2.318 -6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.050 -1.418 -8.230 1.00 0.00 H new ATOM 829 N LEU A 50 -7.364 -1.803 -4.843 1.00 0.00 N ATOM 830 CA LEU A 50 -7.844 -2.370 -3.552 1.00 0.00 C ATOM 831 C LEU A 50 -8.564 -3.698 -3.801 1.00 0.00 C ATOM 832 O LEU A 50 -9.555 -4.003 -3.167 1.00 0.00 O ATOM 833 CB LEU A 50 -8.808 -1.384 -2.891 1.00 0.00 C ATOM 834 CG LEU A 50 -8.392 -1.165 -1.436 1.00 0.00 C ATOM 835 CD1 LEU A 50 -7.242 -0.158 -1.377 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.584 -0.623 -0.644 1.00 0.00 C ATOM 0 H LEU A 50 -7.992 -1.130 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.990 -2.543 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.802 -0.436 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.827 -1.769 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.066 -2.112 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.947 -0.003 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.393 -0.542 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.566 0.790 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.290 -0.466 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.908 0.324 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.404 -1.340 -0.684 1.00 0.00 H new ATOM 848 N LYS A 51 -8.079 -4.494 -4.718 1.00 0.00 N ATOM 849 CA LYS A 51 -8.744 -5.794 -4.996 1.00 0.00 C ATOM 850 C LYS A 51 -7.885 -6.608 -5.971 1.00 0.00 C ATOM 851 O LYS A 51 -7.924 -6.400 -7.167 1.00 0.00 O ATOM 852 CB LYS A 51 -10.127 -5.525 -5.605 1.00 0.00 C ATOM 853 CG LYS A 51 -10.594 -6.742 -6.406 1.00 0.00 C ATOM 854 CD LYS A 51 -12.115 -6.868 -6.309 1.00 0.00 C ATOM 855 CE LYS A 51 -12.538 -8.279 -6.721 1.00 0.00 C ATOM 856 NZ LYS A 51 -12.411 -8.422 -8.199 1.00 0.00 N ATOM 0 H LYS A 51 -7.253 -4.298 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.860 -6.361 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.844 -5.303 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.084 -4.649 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.293 -6.641 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.119 -7.646 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.443 -6.661 -5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.593 -6.131 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.915 -9.019 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.567 -8.467 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.698 -9.381 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.023 -7.725 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.423 -8.260 -8.480 1.00 0.00 H new ATOM 870 N GLY A 52 -7.118 -7.541 -5.472 1.00 0.00 N ATOM 871 CA GLY A 52 -6.273 -8.369 -6.378 1.00 0.00 C ATOM 872 C GLY A 52 -4.803 -8.280 -5.962 1.00 0.00 C ATOM 873 O GLY A 52 -3.922 -8.711 -6.679 1.00 0.00 O ATOM 0 H GLY A 52 -7.041 -7.764 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.604 -9.407 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.388 -8.028 -7.407 1.00 0.00 H new ATOM 877 N SER A 53 -4.523 -7.728 -4.813 1.00 0.00 N ATOM 878 CA SER A 53 -3.102 -7.621 -4.371 1.00 0.00 C ATOM 879 C SER A 53 -2.765 -8.776 -3.431 1.00 0.00 C ATOM 880 O SER A 53 -3.628 -9.362 -2.809 1.00 0.00 O ATOM 881 CB SER A 53 -2.886 -6.294 -3.642 1.00 0.00 C ATOM 882 OG SER A 53 -1.878 -6.461 -2.653 1.00 0.00 O ATOM 0 H SER A 53 -5.212 -7.348 -4.164 1.00 0.00 H new ATOM 0 HA SER A 53 -2.453 -7.664 -5.246 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.592 -5.520 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.816 -5.965 -3.178 1.00 0.00 H new ATOM 0 HG SER A 53 -1.846 -5.666 -2.081 1.00 0.00 H new ATOM 888 N THR A 54 -1.508 -9.103 -3.325 1.00 0.00 N ATOM 889 CA THR A 54 -1.096 -10.215 -2.430 1.00 0.00 C ATOM 890 C THR A 54 -0.198 -9.654 -1.325 1.00 0.00 C ATOM 891 O THR A 54 0.179 -8.502 -1.349 1.00 0.00 O ATOM 892 CB THR A 54 -0.351 -11.276 -3.263 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.711 -12.571 -2.804 1.00 0.00 O ATOM 894 CG2 THR A 54 1.165 -11.100 -3.148 1.00 0.00 C ATOM 0 H THR A 54 -0.745 -8.644 -3.823 1.00 0.00 H new ATOM 0 HA THR A 54 -1.966 -10.683 -1.968 1.00 0.00 H new ATOM 0 HB THR A 54 -0.633 -11.155 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.240 -13.248 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.666 -11.862 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.445 -10.111 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.465 -11.202 -2.105 1.00 0.00 H new ATOM 902 N LEU A 55 0.151 -10.458 -0.365 1.00 0.00 N ATOM 903 CA LEU A 55 1.030 -9.965 0.731 1.00 0.00 C ATOM 904 C LEU A 55 2.126 -11.001 0.996 1.00 0.00 C ATOM 905 O LEU A 55 1.869 -12.187 1.059 1.00 0.00 O ATOM 906 CB LEU A 55 0.197 -9.767 2.002 1.00 0.00 C ATOM 907 CG LEU A 55 0.835 -8.685 2.876 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.013 -8.513 4.155 1.00 0.00 C ATOM 909 CD2 LEU A 55 2.263 -9.098 3.243 1.00 0.00 C ATOM 0 H LEU A 55 -0.133 -11.435 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 55 1.482 -9.016 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.822 -9.482 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.133 -10.704 2.556 1.00 0.00 H new ATOM 0 HG LEU A 55 0.858 -7.744 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.467 -7.742 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.004 -8.219 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.010 -9.455 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.716 -8.327 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.240 -10.040 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.851 -9.222 2.334 1.00 0.00 H new ATOM 921 N THR A 56 3.346 -10.566 1.151 1.00 0.00 N ATOM 922 CA THR A 56 4.452 -11.530 1.411 1.00 0.00 C ATOM 923 C THR A 56 5.126 -11.183 2.741 1.00 0.00 C ATOM 924 O THR A 56 5.824 -10.196 2.857 1.00 0.00 O ATOM 925 CB THR A 56 5.477 -11.452 0.276 1.00 0.00 C ATOM 926 OG1 THR A 56 4.795 -11.369 -0.968 1.00 0.00 O ATOM 927 CG2 THR A 56 6.358 -12.702 0.292 1.00 0.00 C ATOM 0 H THR A 56 3.625 -9.586 1.109 1.00 0.00 H new ATOM 0 HA THR A 56 4.050 -12.542 1.462 1.00 0.00 H new ATOM 0 HB THR A 56 6.102 -10.569 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.685 -10.428 -1.219 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.087 -12.644 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.880 -12.767 1.247 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.736 -13.587 0.157 1.00 0.00 H new ATOM 935 N SER A 57 4.916 -11.989 3.747 1.00 0.00 N ATOM 936 CA SER A 57 5.535 -11.711 5.074 1.00 0.00 C ATOM 937 C SER A 57 5.968 -13.030 5.722 1.00 0.00 C ATOM 938 O SER A 57 5.141 -13.860 6.042 1.00 0.00 O ATOM 939 CB SER A 57 4.511 -11.019 5.975 1.00 0.00 C ATOM 940 OG SER A 57 3.283 -11.734 5.925 1.00 0.00 O ATOM 0 H SER A 57 4.341 -12.830 3.706 1.00 0.00 H new ATOM 0 HA SER A 57 6.404 -11.066 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.880 -10.978 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.360 -9.990 5.649 1.00 0.00 H new ATOM 0 HG SER A 57 3.466 -12.696 5.880 1.00 0.00 H new ATOM 946 N PRO A 58 7.255 -13.174 5.915 1.00 0.00 N ATOM 947 CA PRO A 58 8.234 -12.165 5.523 1.00 0.00 C ATOM 948 C PRO A 58 8.213 -11.951 4.004 1.00 0.00 C ATOM 949 O PRO A 58 7.372 -12.478 3.302 1.00 0.00 O ATOM 950 CB PRO A 58 9.571 -12.744 5.925 1.00 0.00 C ATOM 951 CG PRO A 58 9.209 -13.825 6.991 1.00 0.00 C ATOM 952 CD PRO A 58 7.816 -14.361 6.568 1.00 0.00 C ATOM 0 HA PRO A 58 8.028 -11.203 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.089 -13.182 5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.229 -11.980 6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.950 -14.624 7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.179 -13.396 7.993 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.888 -15.211 5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.220 -14.684 7.422 1.00 0.00 H new ATOM 960 N CYS A 59 9.137 -11.180 3.496 1.00 0.00 N ATOM 961 CA CYS A 59 9.179 -10.929 2.029 1.00 0.00 C ATOM 962 C CYS A 59 10.211 -11.859 1.385 1.00 0.00 C ATOM 963 O CYS A 59 10.411 -12.975 1.821 1.00 0.00 O ATOM 964 CB CYS A 59 9.576 -9.473 1.776 1.00 0.00 C ATOM 965 SG CYS A 59 11.347 -9.269 2.089 1.00 0.00 S ATOM 0 H CYS A 59 9.865 -10.713 4.036 1.00 0.00 H new ATOM 0 HA CYS A 59 8.197 -11.119 1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.343 -9.194 0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.002 -8.810 2.424 1.00 0.00 H new ATOM 0 HG CYS A 59 11.686 -8.033 1.873 1.00 0.00 H new ATOM 971 N GLN A 60 10.868 -11.409 0.351 1.00 0.00 N ATOM 972 CA GLN A 60 11.886 -12.269 -0.316 1.00 0.00 C ATOM 973 C GLN A 60 13.283 -11.820 0.100 1.00 0.00 C ATOM 974 O GLN A 60 13.486 -11.310 1.184 1.00 0.00 O ATOM 975 CB GLN A 60 11.741 -12.150 -1.834 1.00 0.00 C ATOM 976 CG GLN A 60 12.079 -13.492 -2.486 1.00 0.00 C ATOM 977 CD GLN A 60 10.793 -14.163 -2.973 1.00 0.00 C ATOM 978 OE1 GLN A 60 9.997 -13.552 -3.658 1.00 0.00 O ATOM 979 NE2 GLN A 60 10.555 -15.404 -2.646 1.00 0.00 N ATOM 0 H GLN A 60 10.744 -10.484 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 60 11.735 -13.307 -0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.724 -11.855 -2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.404 -11.372 -2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.761 -13.340 -3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.590 -14.137 -1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.223 -15.917 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.701 -15.861 -2.966 1.00 0.00 H new ATOM 988 N ASP A 61 14.248 -11.995 -0.758 1.00 0.00 N ATOM 989 CA ASP A 61 15.631 -11.568 -0.416 1.00 0.00 C ATOM 990 C ASP A 61 15.798 -10.093 -0.781 1.00 0.00 C ATOM 991 O ASP A 61 16.898 -9.592 -0.901 1.00 0.00 O ATOM 992 CB ASP A 61 16.638 -12.409 -1.203 1.00 0.00 C ATOM 993 CG ASP A 61 17.767 -12.855 -0.273 1.00 0.00 C ATOM 994 OD1 ASP A 61 18.096 -12.103 0.630 1.00 0.00 O ATOM 995 OD2 ASP A 61 18.283 -13.941 -0.478 1.00 0.00 O ATOM 0 H ASP A 61 14.138 -12.415 -1.681 1.00 0.00 H new ATOM 0 HA ASP A 61 15.807 -11.707 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.143 -13.279 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.043 -11.829 -2.032 1.00 0.00 H new ATOM 1000 N PHE A 62 14.709 -9.393 -0.958 1.00 0.00 N ATOM 1001 CA PHE A 62 14.802 -7.949 -1.314 1.00 0.00 C ATOM 1002 C PHE A 62 14.845 -7.114 -0.033 1.00 0.00 C ATOM 1003 O PHE A 62 13.862 -6.523 0.369 1.00 0.00 O ATOM 1004 CB PHE A 62 13.579 -7.548 -2.142 1.00 0.00 C ATOM 1005 CG PHE A 62 13.939 -6.399 -3.053 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.956 -5.506 -2.690 1.00 0.00 C ATOM 1007 CD2 PHE A 62 13.254 -6.225 -4.263 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.288 -4.440 -3.536 1.00 0.00 C ATOM 1009 CE2 PHE A 62 13.586 -5.159 -5.109 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.603 -4.267 -4.746 1.00 0.00 C ATOM 0 H PHE A 62 13.761 -9.759 -0.871 1.00 0.00 H new ATOM 0 HA PHE A 62 15.707 -7.774 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.231 -8.397 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.760 -7.260 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.484 -5.640 -1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.470 -6.913 -4.543 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.072 -3.752 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.058 -5.025 -6.041 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.859 -3.446 -5.399 1.00 0.00 H new ATOM 1020 N GLY A 63 15.978 -7.064 0.613 1.00 0.00 N ATOM 1021 CA GLY A 63 16.086 -6.271 1.870 1.00 0.00 C ATOM 1022 C GLY A 63 16.041 -7.217 3.070 1.00 0.00 C ATOM 1023 O GLY A 63 17.040 -7.464 3.717 1.00 0.00 O ATOM 0 H GLY A 63 16.834 -7.538 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.016 -5.702 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.271 -5.550 1.930 1.00 0.00 H new ATOM 1027 N LYS A 64 14.887 -7.751 3.371 1.00 0.00 N ATOM 1028 CA LYS A 64 14.773 -8.684 4.528 1.00 0.00 C ATOM 1029 C LYS A 64 15.572 -8.131 5.710 1.00 0.00 C ATOM 1030 O LYS A 64 16.082 -8.870 6.529 1.00 0.00 O ATOM 1031 CB LYS A 64 15.324 -10.055 4.133 1.00 0.00 C ATOM 1032 CG LYS A 64 14.408 -11.150 4.682 1.00 0.00 C ATOM 1033 CD LYS A 64 14.535 -12.405 3.817 1.00 0.00 C ATOM 1034 CE LYS A 64 14.743 -13.625 4.716 1.00 0.00 C ATOM 1035 NZ LYS A 64 15.991 -14.333 4.313 1.00 0.00 N ATOM 0 H LYS A 64 14.018 -7.581 2.865 1.00 0.00 H new ATOM 0 HA LYS A 64 13.726 -8.783 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.392 -10.133 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.333 -10.180 4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.675 -11.378 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.374 -10.804 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.638 -12.535 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.373 -12.301 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.809 -13.314 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.889 -14.298 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.132 -15.162 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.911 -14.642 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.802 -13.689 4.410 1.00 0.00 H new ATOM 1049 N ARG A 65 15.685 -6.834 5.804 1.00 0.00 N ATOM 1050 CA ARG A 65 16.450 -6.230 6.930 1.00 0.00 C ATOM 1051 C ARG A 65 15.491 -5.889 8.073 1.00 0.00 C ATOM 1052 O ARG A 65 15.107 -6.742 8.848 1.00 0.00 O ATOM 1053 CB ARG A 65 17.159 -4.963 6.442 1.00 0.00 C ATOM 1054 CG ARG A 65 18.535 -5.328 5.882 1.00 0.00 C ATOM 1055 CD ARG A 65 19.290 -4.050 5.510 1.00 0.00 C ATOM 1056 NE ARG A 65 20.083 -4.281 4.269 1.00 0.00 N ATOM 1057 CZ ARG A 65 21.364 -4.517 4.347 1.00 0.00 C ATOM 1058 NH1 ARG A 65 22.207 -3.523 4.425 1.00 0.00 N ATOM 1059 NH2 ARG A 65 21.803 -5.746 4.345 1.00 0.00 N ATOM 0 H ARG A 65 15.280 -6.166 5.148 1.00 0.00 H new ATOM 0 HA ARG A 65 17.195 -6.939 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.561 -4.473 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.266 -4.255 7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 65 19.101 -5.896 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.425 -5.966 5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.587 -3.231 5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.950 -3.755 6.326 1.00 0.00 H new ATOM 0 HE ARG A 65 19.624 -4.255 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.864 -2.562 4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.208 -3.707 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.145 -6.523 4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.804 -5.930 4.406 1.00 0.00 H new ATOM 1073 N MET A 66 15.104 -4.652 8.187 1.00 0.00 N ATOM 1074 CA MET A 66 14.172 -4.258 9.281 1.00 0.00 C ATOM 1075 C MET A 66 12.794 -4.875 9.031 1.00 0.00 C ATOM 1076 O MET A 66 12.559 -6.031 9.322 1.00 0.00 O ATOM 1077 CB MET A 66 14.062 -2.732 9.332 1.00 0.00 C ATOM 1078 CG MET A 66 15.303 -2.152 10.011 1.00 0.00 C ATOM 1079 SD MET A 66 14.815 -1.293 11.528 1.00 0.00 S ATOM 1080 CE MET A 66 14.012 0.125 10.740 1.00 0.00 C ATOM 0 H MET A 66 15.392 -3.893 7.569 1.00 0.00 H new ATOM 0 HA MET A 66 14.555 -4.621 10.235 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.965 -2.330 8.323 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.166 -2.440 9.879 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.010 -2.949 10.243 1.00 0.00 H new ATOM 0 HG3 MET A 66 15.811 -1.462 9.337 1.00 0.00 H new ATOM 0 HE1 MET A 66 13.917 0.936 11.462 1.00 0.00 H new ATOM 0 HE2 MET A 66 14.613 0.460 9.895 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.022 -0.166 10.389 1.00 0.00 H new ATOM 1090 N PHE A 67 11.880 -4.114 8.501 1.00 0.00 N ATOM 1091 CA PHE A 67 10.517 -4.655 8.239 1.00 0.00 C ATOM 1092 C PHE A 67 10.113 -4.347 6.795 1.00 0.00 C ATOM 1093 O PHE A 67 9.488 -3.343 6.515 1.00 0.00 O ATOM 1094 CB PHE A 67 9.525 -4.003 9.202 1.00 0.00 C ATOM 1095 CG PHE A 67 10.058 -4.113 10.611 1.00 0.00 C ATOM 1096 CD1 PHE A 67 9.838 -5.280 11.354 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.776 -3.049 11.173 1.00 0.00 C ATOM 1098 CE1 PHE A 67 10.337 -5.384 12.659 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.275 -3.153 12.478 1.00 0.00 C ATOM 1100 CZ PHE A 67 11.055 -4.321 13.221 1.00 0.00 C ATOM 0 H PHE A 67 12.017 -3.138 8.237 1.00 0.00 H new ATOM 0 HA PHE A 67 10.515 -5.735 8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.376 -2.956 8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.553 -4.491 9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.284 -6.100 10.921 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.945 -2.149 10.600 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.168 -6.284 13.232 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.829 -2.333 12.911 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.439 -4.401 14.227 1.00 0.00 H new ATOM 1110 N VAL A 68 10.469 -5.204 5.878 1.00 0.00 N ATOM 1111 CA VAL A 68 10.115 -4.966 4.450 1.00 0.00 C ATOM 1112 C VAL A 68 9.251 -6.121 3.935 1.00 0.00 C ATOM 1113 O VAL A 68 9.686 -7.254 3.878 1.00 0.00 O ATOM 1114 CB VAL A 68 11.406 -4.877 3.623 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.392 -5.942 4.105 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.098 -5.109 2.139 1.00 0.00 C ATOM 0 H VAL A 68 10.991 -6.062 6.057 1.00 0.00 H new ATOM 0 HA VAL A 68 9.556 -4.035 4.359 1.00 0.00 H new ATOM 0 HB VAL A 68 11.841 -3.885 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.309 -5.881 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.622 -5.775 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.949 -6.930 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.020 -5.044 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.658 -6.098 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.397 -4.351 1.790 1.00 0.00 H new ATOM 1126 N PHE A 69 8.034 -5.844 3.548 1.00 0.00 N ATOM 1127 CA PHE A 69 7.162 -6.934 3.027 1.00 0.00 C ATOM 1128 C PHE A 69 7.016 -6.785 1.511 1.00 0.00 C ATOM 1129 O PHE A 69 7.336 -5.755 0.942 1.00 0.00 O ATOM 1130 CB PHE A 69 5.784 -6.879 3.702 1.00 0.00 C ATOM 1131 CG PHE A 69 4.997 -5.683 3.213 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.521 -5.638 1.894 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.730 -4.623 4.087 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.784 -4.532 1.451 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.991 -3.519 3.646 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.519 -3.473 2.327 1.00 0.00 C ATOM 0 H PHE A 69 7.609 -4.917 3.570 1.00 0.00 H new ATOM 0 HA PHE A 69 7.617 -7.899 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.233 -7.795 3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.905 -6.823 4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.723 -6.457 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.095 -4.657 5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.421 -4.497 0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.784 -2.703 4.322 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.951 -2.620 1.986 1.00 0.00 H new ATOM 1146 N LYS A 70 6.540 -7.808 0.851 1.00 0.00 N ATOM 1147 CA LYS A 70 6.379 -7.735 -0.629 1.00 0.00 C ATOM 1148 C LYS A 70 4.922 -8.024 -1.009 1.00 0.00 C ATOM 1149 O LYS A 70 4.396 -9.085 -0.742 1.00 0.00 O ATOM 1150 CB LYS A 70 7.304 -8.771 -1.283 1.00 0.00 C ATOM 1151 CG LYS A 70 6.858 -9.045 -2.723 1.00 0.00 C ATOM 1152 CD LYS A 70 7.694 -10.186 -3.306 1.00 0.00 C ATOM 1153 CE LYS A 70 6.865 -11.471 -3.324 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.642 -11.898 -4.735 1.00 0.00 N ATOM 0 H LYS A 70 6.256 -8.691 1.274 1.00 0.00 H new ATOM 0 HA LYS A 70 6.641 -6.736 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.332 -8.407 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.289 -9.697 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.800 -9.307 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.976 -8.147 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.016 -9.935 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.595 -10.331 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.380 -12.257 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.909 -11.307 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.078 -12.772 -4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.133 -11.150 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.559 -12.071 -5.195 1.00 0.00 H new ATOM 1168 N ILE A 71 4.276 -7.087 -1.646 1.00 0.00 N ATOM 1169 CA ILE A 71 2.860 -7.297 -2.065 1.00 0.00 C ATOM 1170 C ILE A 71 2.828 -7.504 -3.581 1.00 0.00 C ATOM 1171 O ILE A 71 3.754 -7.156 -4.285 1.00 0.00 O ATOM 1172 CB ILE A 71 2.033 -6.061 -1.676 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.578 -6.191 -0.220 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.803 -5.925 -2.583 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.619 -5.048 0.118 1.00 0.00 C ATOM 0 H ILE A 71 4.669 -6.180 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 71 2.438 -8.172 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 71 2.655 -5.174 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.085 -7.151 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.441 -6.165 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.231 -5.044 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.125 -5.822 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.178 -6.812 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.295 -5.140 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.127 -4.094 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.249 -5.095 -0.539 1.00 0.00 H new ATOM 1187 N THR A 72 1.773 -8.072 -4.086 1.00 0.00 N ATOM 1188 CA THR A 72 1.685 -8.305 -5.554 1.00 0.00 C ATOM 1189 C THR A 72 0.308 -7.872 -6.047 1.00 0.00 C ATOM 1190 O THR A 72 -0.644 -8.626 -6.005 1.00 0.00 O ATOM 1191 CB THR A 72 1.889 -9.793 -5.852 1.00 0.00 C ATOM 1192 OG1 THR A 72 3.158 -10.203 -5.361 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.822 -10.026 -7.362 1.00 0.00 C ATOM 0 H THR A 72 0.966 -8.386 -3.547 1.00 0.00 H new ATOM 0 HA THR A 72 2.457 -7.728 -6.063 1.00 0.00 H new ATOM 0 HB THR A 72 1.106 -10.373 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.862 -9.866 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.967 -11.085 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.848 -9.712 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.603 -9.447 -7.854 1.00 0.00 H new ATOM 1201 N THR A 73 0.194 -6.664 -6.517 1.00 0.00 N ATOM 1202 CA THR A 73 -1.123 -6.188 -7.013 1.00 0.00 C ATOM 1203 C THR A 73 -1.586 -7.100 -8.144 1.00 0.00 C ATOM 1204 O THR A 73 -0.791 -7.671 -8.862 1.00 0.00 O ATOM 1205 CB THR A 73 -0.997 -4.751 -7.524 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.527 -4.766 -8.865 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.017 -3.974 -6.644 1.00 0.00 C ATOM 0 H THR A 73 0.954 -5.987 -6.579 1.00 0.00 H new ATOM 0 HA THR A 73 -1.851 -6.210 -6.202 1.00 0.00 H new ATOM 0 HB THR A 73 -1.973 -4.267 -7.486 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.598 -3.866 -9.247 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.070 -2.951 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.382 -3.961 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.961 -4.455 -6.676 1.00 0.00 H new ATOM 1215 N THR A 74 -2.869 -7.245 -8.302 1.00 0.00 N ATOM 1216 CA THR A 74 -3.399 -8.126 -9.381 1.00 0.00 C ATOM 1217 C THR A 74 -2.664 -7.853 -10.697 1.00 0.00 C ATOM 1218 O THR A 74 -2.633 -8.687 -11.580 1.00 0.00 O ATOM 1219 CB THR A 74 -4.896 -7.864 -9.562 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.259 -8.109 -10.913 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.218 -6.413 -9.199 1.00 0.00 C ATOM 0 H THR A 74 -3.579 -6.790 -7.728 1.00 0.00 H new ATOM 0 HA THR A 74 -3.241 -9.167 -9.100 1.00 0.00 H new ATOM 0 HB THR A 74 -5.459 -8.529 -8.907 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.218 -7.943 -11.029 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.285 -6.233 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.944 -6.228 -8.160 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.655 -5.742 -9.848 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.066 -6.699 -10.842 1.00 0.00 N ATOM 1230 CA LYS A 75 -1.336 -6.397 -12.107 1.00 0.00 C ATOM 1231 C LYS A 75 0.102 -6.922 -12.015 1.00 0.00 C ATOM 1232 O LYS A 75 1.006 -6.386 -12.625 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.310 -4.883 -12.333 1.00 0.00 C ATOM 1234 CG LYS A 75 -2.689 -4.412 -12.800 1.00 0.00 C ATOM 1235 CD LYS A 75 -2.608 -2.947 -13.234 1.00 0.00 C ATOM 1236 CE LYS A 75 -2.948 -2.043 -12.048 1.00 0.00 C ATOM 1237 NZ LYS A 75 -2.455 -0.663 -12.318 1.00 0.00 N ATOM 0 H LYS A 75 -2.052 -5.957 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.845 -6.883 -12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.033 -4.372 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.556 -4.629 -13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.034 -5.029 -13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.415 -4.524 -11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.607 -2.721 -13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.299 -2.762 -14.056 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.026 -2.030 -11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.492 -2.432 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.686 -0.048 -11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.424 -0.683 -12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.910 -0.294 -13.177 1.00 0.00 H new ATOM 1251 N GLN A 76 0.322 -7.966 -11.262 1.00 0.00 N ATOM 1252 CA GLN A 76 1.699 -8.523 -11.138 1.00 0.00 C ATOM 1253 C GLN A 76 2.678 -7.402 -10.786 1.00 0.00 C ATOM 1254 O GLN A 76 3.833 -7.432 -11.163 1.00 0.00 O ATOM 1255 CB GLN A 76 2.109 -9.166 -12.464 1.00 0.00 C ATOM 1256 CG GLN A 76 2.556 -10.608 -12.217 1.00 0.00 C ATOM 1257 CD GLN A 76 2.309 -11.442 -13.476 1.00 0.00 C ATOM 1258 OE1 GLN A 76 2.849 -11.153 -14.525 1.00 0.00 O ATOM 1259 NE2 GLN A 76 1.510 -12.472 -13.415 1.00 0.00 N ATOM 0 H GLN A 76 -0.394 -8.458 -10.727 1.00 0.00 H new ATOM 0 HA GLN A 76 1.716 -9.275 -10.349 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.273 -9.148 -13.163 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.918 -8.597 -12.921 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.613 -10.632 -11.954 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.008 -11.031 -11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.057 -12.714 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.339 -13.035 -14.248 1.00 0.00 H new ATOM 1268 N GLN A 77 2.228 -6.413 -10.064 1.00 0.00 N ATOM 1269 CA GLN A 77 3.136 -5.293 -9.686 1.00 0.00 C ATOM 1270 C GLN A 77 3.674 -5.529 -8.274 1.00 0.00 C ATOM 1271 O GLN A 77 3.024 -5.225 -7.294 1.00 0.00 O ATOM 1272 CB GLN A 77 2.361 -3.974 -9.722 1.00 0.00 C ATOM 1273 CG GLN A 77 3.204 -2.906 -10.422 1.00 0.00 C ATOM 1274 CD GLN A 77 3.499 -1.765 -9.446 1.00 0.00 C ATOM 1275 OE1 GLN A 77 2.593 -1.130 -8.943 1.00 0.00 O ATOM 1276 NE2 GLN A 77 4.738 -1.476 -9.154 1.00 0.00 N ATOM 0 H GLN A 77 1.271 -6.332 -9.719 1.00 0.00 H new ATOM 0 HA GLN A 77 3.967 -5.245 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.416 -4.109 -10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.118 -3.655 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.137 -3.342 -10.781 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.674 -2.524 -11.295 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.499 -2.009 -9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.945 -0.718 -8.504 1.00 0.00 H new ATOM 1285 N ASP A 78 4.856 -6.070 -8.162 1.00 0.00 N ATOM 1286 CA ASP A 78 5.431 -6.324 -6.811 1.00 0.00 C ATOM 1287 C ASP A 78 5.591 -4.997 -6.066 1.00 0.00 C ATOM 1288 O ASP A 78 5.756 -3.953 -6.665 1.00 0.00 O ATOM 1289 CB ASP A 78 6.797 -6.995 -6.955 1.00 0.00 C ATOM 1290 CG ASP A 78 6.607 -8.482 -7.263 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.470 -8.924 -7.267 1.00 0.00 O ATOM 1292 OD2 ASP A 78 7.601 -9.152 -7.487 1.00 0.00 O ATOM 0 H ASP A 78 5.447 -6.347 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 78 4.763 -6.977 -6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.366 -6.518 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.372 -6.874 -6.037 1.00 0.00 H new ATOM 1297 N HIS A 79 5.547 -5.031 -4.763 1.00 0.00 N ATOM 1298 CA HIS A 79 5.699 -3.774 -3.979 1.00 0.00 C ATOM 1299 C HIS A 79 6.512 -4.061 -2.716 1.00 0.00 C ATOM 1300 O HIS A 79 5.970 -4.371 -1.674 1.00 0.00 O ATOM 1301 CB HIS A 79 4.318 -3.243 -3.588 1.00 0.00 C ATOM 1302 CG HIS A 79 3.770 -2.400 -4.707 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.071 -1.053 -4.834 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.941 -2.700 -5.760 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.434 -0.596 -5.928 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.730 -1.559 -6.529 1.00 0.00 N ATOM 0 H HIS A 79 5.412 -5.876 -4.207 1.00 0.00 H new ATOM 0 HA HIS A 79 6.214 -3.028 -4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.643 -4.073 -3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.389 -2.653 -2.675 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.517 -3.673 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.486 0.425 -6.277 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.160 -1.476 -7.371 1.00 0.00 H new ATOM 1314 N PHE A 80 7.809 -3.955 -2.799 1.00 0.00 N ATOM 1315 CA PHE A 80 8.656 -4.217 -1.601 1.00 0.00 C ATOM 1316 C PHE A 80 8.871 -2.905 -0.849 1.00 0.00 C ATOM 1317 O PHE A 80 9.681 -2.086 -1.237 1.00 0.00 O ATOM 1318 CB PHE A 80 10.017 -4.776 -2.030 1.00 0.00 C ATOM 1319 CG PHE A 80 9.887 -5.528 -3.334 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.031 -4.849 -4.552 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.632 -6.906 -3.327 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.918 -5.547 -5.761 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.521 -7.604 -4.537 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.664 -6.925 -5.753 1.00 0.00 C ATOM 0 H PHE A 80 8.319 -3.698 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 80 8.157 -4.943 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.733 -3.962 -2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.406 -5.439 -1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.229 -3.787 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.521 -7.430 -2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.027 -5.023 -6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.325 -8.666 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.579 -7.464 -6.685 1.00 0.00 H new ATOM 1334 N PHE A 81 8.158 -2.691 0.222 1.00 0.00 N ATOM 1335 CA PHE A 81 8.343 -1.421 0.978 1.00 0.00 C ATOM 1336 C PHE A 81 8.557 -1.735 2.462 1.00 0.00 C ATOM 1337 O PHE A 81 8.015 -2.684 2.994 1.00 0.00 O ATOM 1338 CB PHE A 81 7.117 -0.501 0.751 1.00 0.00 C ATOM 1339 CG PHE A 81 6.243 -0.388 1.990 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.742 0.219 3.153 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.931 -0.878 1.967 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.930 0.331 4.289 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.120 -0.764 3.104 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.619 -0.160 4.264 1.00 0.00 C ATOM 0 H PHE A 81 7.463 -3.333 0.603 1.00 0.00 H new ATOM 0 HA PHE A 81 9.226 -0.893 0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.460 0.492 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.523 -0.889 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.752 0.600 3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.544 -1.344 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.315 0.796 5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.109 -1.143 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.993 -0.073 5.140 1.00 0.00 H new ATOM 1354 N GLN A 82 9.347 -0.940 3.130 1.00 0.00 N ATOM 1355 CA GLN A 82 9.604 -1.180 4.576 1.00 0.00 C ATOM 1356 C GLN A 82 9.067 -0.001 5.388 1.00 0.00 C ATOM 1357 O GLN A 82 9.131 1.140 4.964 1.00 0.00 O ATOM 1358 CB GLN A 82 11.112 -1.316 4.810 1.00 0.00 C ATOM 1359 CG GLN A 82 11.379 -1.621 6.285 1.00 0.00 C ATOM 1360 CD GLN A 82 12.483 -0.698 6.808 1.00 0.00 C ATOM 1361 OE1 GLN A 82 12.259 0.085 7.709 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.673 -0.759 6.276 1.00 0.00 N ATOM 0 H GLN A 82 9.827 -0.132 2.734 1.00 0.00 H new ATOM 0 HA GLN A 82 9.104 -2.097 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.516 -2.112 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.619 -0.395 4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.468 -1.481 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.676 -2.663 6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.860 -1.417 5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.416 -0.149 6.617 1.00 0.00 H new ATOM 1371 N ALA A 83 8.535 -0.265 6.551 1.00 0.00 N ATOM 1372 CA ALA A 83 7.994 0.840 7.392 1.00 0.00 C ATOM 1373 C ALA A 83 9.104 1.379 8.299 1.00 0.00 C ATOM 1374 O ALA A 83 10.260 1.404 7.928 1.00 0.00 O ATOM 1375 CB ALA A 83 6.842 0.310 8.250 1.00 0.00 C ATOM 0 H ALA A 83 8.452 -1.198 6.955 1.00 0.00 H new ATOM 0 HA ALA A 83 7.628 1.642 6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.445 1.117 8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.053 -0.074 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.206 -0.491 8.893 1.00 0.00 H new ATOM 1381 N ALA A 84 8.764 1.813 9.484 1.00 0.00 N ATOM 1382 CA ALA A 84 9.807 2.350 10.404 1.00 0.00 C ATOM 1383 C ALA A 84 10.057 1.355 11.536 1.00 0.00 C ATOM 1384 O ALA A 84 11.049 1.427 12.234 1.00 0.00 O ATOM 1385 CB ALA A 84 9.338 3.684 10.987 1.00 0.00 C ATOM 0 H ALA A 84 7.813 1.819 9.853 1.00 0.00 H new ATOM 0 HA ALA A 84 10.733 2.503 9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.101 4.076 11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.168 4.395 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.410 3.534 11.539 1.00 0.00 H new ATOM 1391 N PHE A 85 9.169 0.423 11.716 1.00 0.00 N ATOM 1392 CA PHE A 85 9.353 -0.587 12.797 1.00 0.00 C ATOM 1393 C PHE A 85 8.307 -1.693 12.647 1.00 0.00 C ATOM 1394 O PHE A 85 7.411 -1.606 11.834 1.00 0.00 O ATOM 1395 CB PHE A 85 9.205 0.079 14.169 1.00 0.00 C ATOM 1396 CG PHE A 85 8.176 1.182 14.101 1.00 0.00 C ATOM 1397 CD1 PHE A 85 8.552 2.468 13.688 1.00 0.00 C ATOM 1398 CD2 PHE A 85 6.846 0.923 14.459 1.00 0.00 C ATOM 1399 CE1 PHE A 85 7.598 3.493 13.632 1.00 0.00 C ATOM 1400 CE2 PHE A 85 5.893 1.948 14.404 1.00 0.00 C ATOM 1401 CZ PHE A 85 6.269 3.233 13.990 1.00 0.00 C ATOM 0 H PHE A 85 8.320 0.314 11.161 1.00 0.00 H new ATOM 0 HA PHE A 85 10.351 -1.017 12.717 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.907 -0.662 14.911 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.164 0.485 14.490 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.577 2.669 13.413 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.556 -0.067 14.777 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.887 4.483 13.313 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.868 1.748 14.681 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.534 4.023 13.947 1.00 0.00 H new ATOM 1411 N LEU A 86 8.423 -2.735 13.423 1.00 0.00 N ATOM 1412 CA LEU A 86 7.446 -3.858 13.329 1.00 0.00 C ATOM 1413 C LEU A 86 6.019 -3.323 13.474 1.00 0.00 C ATOM 1414 O LEU A 86 5.145 -3.640 12.694 1.00 0.00 O ATOM 1415 CB LEU A 86 7.729 -4.870 14.450 1.00 0.00 C ATOM 1416 CG LEU A 86 6.485 -5.728 14.714 1.00 0.00 C ATOM 1417 CD1 LEU A 86 6.901 -7.054 15.343 1.00 0.00 C ATOM 1418 CD2 LEU A 86 5.547 -4.989 15.672 1.00 0.00 C ATOM 0 H LEU A 86 9.156 -2.858 14.122 1.00 0.00 H new ATOM 0 HA LEU A 86 7.548 -4.343 12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.568 -5.508 14.171 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.017 -4.344 15.360 1.00 0.00 H new ATOM 0 HG LEU A 86 5.972 -5.916 13.771 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.016 -7.662 15.530 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.569 -7.585 14.665 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.416 -6.864 16.285 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.663 -5.599 15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.063 -4.800 16.613 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.245 -4.041 15.227 1.00 0.00 H new ATOM 1430 N GLU A 87 5.768 -2.542 14.484 1.00 0.00 N ATOM 1431 CA GLU A 87 4.391 -2.020 14.692 1.00 0.00 C ATOM 1432 C GLU A 87 3.884 -1.336 13.417 1.00 0.00 C ATOM 1433 O GLU A 87 2.729 -1.453 13.060 1.00 0.00 O ATOM 1434 CB GLU A 87 4.394 -1.011 15.844 1.00 0.00 C ATOM 1435 CG GLU A 87 3.078 -1.115 16.616 1.00 0.00 C ATOM 1436 CD GLU A 87 1.954 -0.474 15.800 1.00 0.00 C ATOM 1437 OE1 GLU A 87 1.922 0.744 15.728 1.00 0.00 O ATOM 1438 OE2 GLU A 87 1.146 -1.211 15.261 1.00 0.00 O ATOM 0 H GLU A 87 6.456 -2.242 15.175 1.00 0.00 H new ATOM 0 HA GLU A 87 3.731 -2.853 14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.235 -1.205 16.510 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.522 -0.000 15.456 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.844 -2.160 16.818 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.170 -0.617 17.581 1.00 0.00 H new ATOM 1445 N GLU A 88 4.732 -0.615 12.732 1.00 0.00 N ATOM 1446 CA GLU A 88 4.282 0.081 11.490 1.00 0.00 C ATOM 1447 C GLU A 88 4.336 -0.881 10.301 1.00 0.00 C ATOM 1448 O GLU A 88 3.757 -0.629 9.265 1.00 0.00 O ATOM 1449 CB GLU A 88 5.196 1.277 11.211 1.00 0.00 C ATOM 1450 CG GLU A 88 4.524 2.209 10.199 1.00 0.00 C ATOM 1451 CD GLU A 88 5.156 3.599 10.288 1.00 0.00 C ATOM 1452 OE1 GLU A 88 6.357 3.669 10.494 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.430 4.569 10.149 1.00 0.00 O ATOM 0 H GLU A 88 5.713 -0.478 12.977 1.00 0.00 H new ATOM 0 HA GLU A 88 3.257 0.425 11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.401 1.815 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.155 0.933 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.637 1.810 9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.454 2.271 10.400 1.00 0.00 H new ATOM 1460 N ARG A 89 5.028 -1.976 10.436 1.00 0.00 N ATOM 1461 CA ARG A 89 5.117 -2.942 9.305 1.00 0.00 C ATOM 1462 C ARG A 89 3.819 -3.744 9.211 1.00 0.00 C ATOM 1463 O ARG A 89 3.259 -3.915 8.146 1.00 0.00 O ATOM 1464 CB ARG A 89 6.289 -3.897 9.540 1.00 0.00 C ATOM 1465 CG ARG A 89 6.398 -4.869 8.363 1.00 0.00 C ATOM 1466 CD ARG A 89 6.659 -6.281 8.891 1.00 0.00 C ATOM 1467 NE ARG A 89 7.494 -7.032 7.911 1.00 0.00 N ATOM 1468 CZ ARG A 89 7.884 -8.247 8.185 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.314 -8.913 9.151 1.00 0.00 N ATOM 1470 NH2 ARG A 89 8.845 -8.796 7.494 1.00 0.00 N ATOM 0 H ARG A 89 5.536 -2.245 11.279 1.00 0.00 H new ATOM 0 HA ARG A 89 5.273 -2.395 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.216 -3.333 9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.142 -4.448 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.479 -4.852 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.205 -4.563 7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.166 -6.232 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.715 -6.800 9.053 1.00 0.00 H new ATOM 0 HE ARG A 89 7.760 -6.597 7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.563 -8.484 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.619 -9.863 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.292 -8.276 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.149 -9.746 7.709 1.00 0.00 H new ATOM 1484 N ASP A 90 3.334 -4.239 10.315 1.00 0.00 N ATOM 1485 CA ASP A 90 2.073 -5.029 10.285 1.00 0.00 C ATOM 1486 C ASP A 90 0.876 -4.079 10.230 1.00 0.00 C ATOM 1487 O ASP A 90 -0.175 -4.420 9.727 1.00 0.00 O ATOM 1488 CB ASP A 90 1.982 -5.895 11.544 1.00 0.00 C ATOM 1489 CG ASP A 90 0.943 -6.997 11.331 1.00 0.00 C ATOM 1490 OD1 ASP A 90 -0.203 -6.663 11.077 1.00 0.00 O ATOM 1491 OD2 ASP A 90 1.310 -8.157 11.425 1.00 0.00 O ATOM 0 H ASP A 90 3.757 -4.130 11.237 1.00 0.00 H new ATOM 0 HA ASP A 90 2.068 -5.670 9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.954 -6.335 11.767 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.706 -5.281 12.401 1.00 0.00 H new ATOM 1496 N ALA A 91 1.023 -2.889 10.745 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.114 -1.924 10.721 1.00 0.00 C ATOM 1498 C ALA A 91 -0.305 -1.386 9.301 1.00 0.00 C ATOM 1499 O ALA A 91 -1.411 -1.125 8.870 1.00 0.00 O ATOM 1500 CB ALA A 91 0.183 -0.762 11.670 1.00 0.00 C ATOM 0 H ALA A 91 1.878 -2.543 11.180 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.024 -2.432 11.040 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.648 -0.057 11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.314 -1.144 12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.095 -0.257 11.352 1.00 0.00 H new ATOM 1506 N TRP A 92 0.762 -1.212 8.571 1.00 0.00 N ATOM 1507 CA TRP A 92 0.637 -0.685 7.183 1.00 0.00 C ATOM 1508 C TRP A 92 0.230 -1.814 6.234 1.00 0.00 C ATOM 1509 O TRP A 92 -0.672 -1.669 5.434 1.00 0.00 O ATOM 1510 CB TRP A 92 1.983 -0.116 6.732 1.00 0.00 C ATOM 1511 CG TRP A 92 1.858 1.357 6.518 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.355 2.307 7.343 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.207 2.062 5.424 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.050 3.552 6.824 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.342 3.454 5.641 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.519 1.632 4.274 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 0.813 4.386 4.748 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 -0.015 2.567 3.372 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.132 3.942 3.609 1.00 0.00 C ATOM 0 H TRP A 92 1.715 -1.412 8.876 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.122 0.097 7.165 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.746 -0.321 7.483 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.304 -0.602 5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.900 2.123 8.257 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.315 4.435 7.261 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.401 0.575 4.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 0.928 5.444 4.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.541 2.226 2.492 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.280 4.657 2.913 1.00 0.00 H new ATOM 1530 N VAL A 93 0.899 -2.932 6.305 1.00 0.00 N ATOM 1531 CA VAL A 93 0.559 -4.063 5.395 1.00 0.00 C ATOM 1532 C VAL A 93 -0.814 -4.640 5.762 1.00 0.00 C ATOM 1533 O VAL A 93 -1.506 -5.188 4.927 1.00 0.00 O ATOM 1534 CB VAL A 93 1.637 -5.148 5.509 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.409 -5.989 6.768 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.581 -6.052 4.276 1.00 0.00 C ATOM 0 H VAL A 93 1.666 -3.111 6.953 1.00 0.00 H new ATOM 0 HA VAL A 93 0.519 -3.702 4.367 1.00 0.00 H new ATOM 0 HB VAL A 93 2.615 -4.672 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.180 -6.756 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.455 -5.347 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.429 -6.464 6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.347 -6.824 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.599 -6.520 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.758 -5.457 3.380 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.219 -4.519 6.997 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.551 -5.061 7.393 1.00 0.00 C ATOM 1548 C ARG A 94 -3.643 -4.077 6.966 1.00 0.00 C ATOM 1549 O ARG A 94 -4.753 -4.463 6.656 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.602 -5.258 8.911 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.715 -3.899 9.604 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.696 -4.095 11.121 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.244 -2.879 11.785 1.00 0.00 N ATOM 1554 CZ ARG A 94 -4.501 -2.838 12.136 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -5.427 -2.700 11.227 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -4.830 -2.935 13.394 1.00 0.00 N ATOM 0 H ARG A 94 -0.689 -4.071 7.745 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.711 -6.022 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.453 -5.885 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.705 -5.777 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.890 -3.254 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.637 -3.401 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.288 -4.969 11.393 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.677 -4.281 11.462 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.638 -2.079 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.169 -2.624 10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.409 -2.668 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.105 -3.043 14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.812 -2.903 13.668 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.336 -2.808 6.943 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.356 -1.803 6.531 1.00 0.00 C ATOM 1572 C ASP A 95 -4.535 -1.855 5.013 1.00 0.00 C ATOM 1573 O ASP A 95 -5.633 -1.748 4.504 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.892 -0.403 6.940 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.059 0.359 7.568 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.851 0.910 6.822 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.142 0.378 8.785 1.00 0.00 O ATOM 0 H ASP A 95 -2.424 -2.425 7.191 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.304 -2.028 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.067 -0.475 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.518 0.136 6.070 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.464 -2.022 4.285 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.576 -2.084 2.802 1.00 0.00 C ATOM 1584 C ILE A 96 -4.209 -3.416 2.399 1.00 0.00 C ATOM 1585 O ILE A 96 -5.059 -3.474 1.533 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.183 -1.965 2.176 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.688 -0.521 2.317 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.260 -2.340 0.694 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.324 -0.367 1.638 1.00 0.00 C ATOM 0 H ILE A 96 -2.518 -2.118 4.654 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.199 -1.263 2.448 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.492 -2.637 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.407 0.164 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.611 -0.255 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.270 -2.256 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.617 -3.365 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.948 -1.666 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.020 0.662 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.394 -1.040 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.414 -0.613 0.580 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.805 -4.488 3.024 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.388 -5.814 2.678 1.00 0.00 C ATOM 1603 C ASN A 97 -5.818 -5.891 3.213 1.00 0.00 C ATOM 1604 O ASN A 97 -6.652 -6.598 2.682 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.545 -6.923 3.309 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.646 -8.189 2.456 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.133 -9.205 2.911 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.204 -8.171 1.228 1.00 0.00 N ATOM 0 H ASN A 97 -3.097 -4.502 3.758 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.396 -5.939 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.505 -6.605 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.892 -7.126 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.268 -9.010 0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.795 -7.318 0.846 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.111 -5.166 4.257 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.490 -5.196 4.819 1.00 0.00 C ATOM 1617 C LYS A 98 -8.432 -4.451 3.872 1.00 0.00 C ATOM 1618 O LYS A 98 -9.506 -4.921 3.551 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.501 -4.518 6.191 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.906 -4.605 6.791 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.114 -5.992 7.403 1.00 0.00 C ATOM 1622 CE LYS A 98 -8.951 -5.910 8.922 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.431 -7.177 9.541 1.00 0.00 N ATOM 0 H LYS A 98 -5.456 -4.555 4.745 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.819 -6.229 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.781 -5.000 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.198 -3.475 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.036 -3.836 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.654 -4.420 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.107 -6.366 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.394 -6.696 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.905 -5.741 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.516 -5.064 9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.321 -7.122 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.434 -7.319 9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.874 -7.975 9.175 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.035 -3.294 3.417 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.903 -2.524 2.484 1.00 0.00 C ATOM 1639 C ALA A 99 -9.064 -3.315 1.185 1.00 0.00 C ATOM 1640 O ALA A 99 -10.119 -3.331 0.582 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.255 -1.171 2.184 1.00 0.00 C ATOM 0 H ALA A 99 -7.147 -2.850 3.651 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.880 -2.361 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.890 -0.607 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.134 -0.612 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.279 -1.329 1.725 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.025 -3.977 0.755 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.112 -4.775 -0.500 1.00 0.00 C ATOM 1649 C ILE A 100 -9.018 -5.986 -0.257 1.00 0.00 C ATOM 1650 O ILE A 100 -9.736 -6.422 -1.134 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.708 -5.245 -0.900 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.936 -4.075 -1.513 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.811 -6.374 -1.928 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.458 -4.183 -1.135 1.00 0.00 C ATOM 0 H ILE A 100 -7.118 -3.999 1.220 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.527 -4.166 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.186 -5.609 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.046 -4.082 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.345 -3.130 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.810 -6.703 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.361 -7.210 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.335 -6.014 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.909 -3.349 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.357 -4.155 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.053 -5.122 -1.513 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.993 -6.528 0.931 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.857 -7.705 1.231 1.00 0.00 C ATOM 1668 C LYS A 101 -11.247 -7.222 1.646 1.00 0.00 C ATOM 1669 O LYS A 101 -12.169 -7.999 1.791 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.238 -8.520 2.368 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.276 -9.559 1.789 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.486 -10.899 2.495 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.313 -11.167 3.440 1.00 0.00 C ATOM 1674 NZ LYS A 101 -7.631 -12.336 4.308 1.00 0.00 N ATOM 0 H LYS A 101 -8.412 -6.207 1.706 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.939 -8.331 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.707 -7.861 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.021 -9.015 2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.445 -9.670 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.246 -9.227 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.421 -10.885 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.566 -11.701 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.407 -11.362 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.118 -10.287 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.834 -12.518 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.485 -12.132 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.796 -13.174 3.715 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.405 -5.941 1.833 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.735 -5.402 2.231 1.00 0.00 C ATOM 1690 C CYS A 102 -13.486 -4.955 0.977 1.00 0.00 C ATOM 1691 O CYS A 102 -14.698 -5.012 0.911 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.543 -4.207 3.168 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.930 -3.060 2.974 1.00 0.00 S ATOM 0 H CYS A 102 -10.669 -5.243 1.727 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.307 -6.173 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.481 -4.548 4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.604 -3.701 2.942 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.769 -2.046 3.771 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.770 -4.516 -0.021 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.431 -4.070 -1.278 1.00 0.00 C ATOM 1701 C ILE A 103 -14.020 -5.294 -1.989 1.00 0.00 C ATOM 1702 O ILE A 103 -14.998 -5.199 -2.704 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.386 -3.371 -2.168 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.410 -1.868 -1.885 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.688 -3.601 -3.652 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.787 -1.305 -2.240 1.00 0.00 C ATOM 0 H ILE A 103 -11.752 -4.447 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.236 -3.367 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.405 -3.788 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.189 -1.681 -0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.638 -1.365 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.936 -3.097 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.670 -4.670 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.673 -3.200 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.805 -0.234 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.990 -1.479 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.549 -1.800 -1.638 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.432 -6.442 -1.794 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.957 -7.672 -2.454 1.00 0.00 C ATOM 1720 C GLU A 104 -15.354 -7.986 -1.916 1.00 0.00 C ATOM 1721 O GLU A 104 -16.059 -8.827 -2.439 1.00 0.00 O ATOM 1722 CB GLU A 104 -13.022 -8.848 -2.165 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.568 -8.375 -2.237 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.643 -9.586 -2.372 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.136 -10.648 -2.717 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.458 -9.432 -2.126 1.00 0.00 O ATOM 0 H GLU A 104 -12.610 -6.582 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.012 -7.509 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.233 -9.260 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.192 -9.647 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.434 -7.705 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.314 -7.808 -1.341 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.758 -7.314 -0.877 1.00 0.00 N ATOM 1734 CA GLY A 105 -17.108 -7.565 -0.300 1.00 0.00 C ATOM 1735 C GLY A 105 -17.828 -6.233 -0.093 1.00 0.00 C ATOM 1736 O GLY A 105 -18.859 -6.163 0.545 1.00 0.00 O ATOM 0 H GLY A 105 -15.210 -6.598 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.687 -8.204 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.017 -8.093 0.649 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.288 -5.175 -0.628 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.932 -3.842 -0.466 1.00 0.00 C ATOM 1742 C LEU A 106 -18.358 -3.315 -1.835 1.00 0.00 C ATOM 1743 O LEU A 106 -17.889 -2.293 -2.294 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.940 -2.868 0.170 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.188 -2.796 1.677 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -18.505 -2.065 1.945 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.268 -4.214 2.248 1.00 0.00 C ATOM 0 H LEU A 106 -16.425 -5.176 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.807 -3.937 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.918 -3.194 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.050 -1.879 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.370 -2.256 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -18.681 -2.014 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.450 -1.055 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.324 -2.604 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.445 -4.164 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.086 -4.753 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.330 -4.736 2.058 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.247 -4.006 -2.485 1.00 0.00 N ATOM 1760 CA GLU A 107 -19.714 -3.552 -3.825 1.00 0.00 C ATOM 1761 C GLU A 107 -21.089 -2.895 -3.686 1.00 0.00 C ATOM 1762 O GLU A 107 -21.701 -2.932 -2.638 1.00 0.00 O ATOM 1763 CB GLU A 107 -19.812 -4.753 -4.767 1.00 0.00 C ATOM 1764 CG GLU A 107 -18.435 -5.405 -4.906 1.00 0.00 C ATOM 1765 CD GLU A 107 -18.446 -6.376 -6.088 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -19.510 -6.585 -6.648 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -17.391 -6.895 -6.414 1.00 0.00 O ATOM 0 H GLU A 107 -19.673 -4.869 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 107 -19.006 -2.831 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -20.531 -5.475 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -20.176 -4.434 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.673 -4.641 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.178 -5.935 -3.989 1.00 0.00 H new ATOM 1774 N HIS A 108 -21.579 -2.292 -4.734 1.00 0.00 N ATOM 1775 CA HIS A 108 -22.913 -1.632 -4.655 1.00 0.00 C ATOM 1776 C HIS A 108 -23.879 -2.310 -5.628 1.00 0.00 C ATOM 1777 O HIS A 108 -23.691 -3.447 -6.014 1.00 0.00 O ATOM 1778 CB HIS A 108 -22.772 -0.154 -5.021 1.00 0.00 C ATOM 1779 CG HIS A 108 -21.666 0.459 -4.208 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -21.914 1.346 -3.172 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -20.301 0.322 -4.265 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -20.726 1.705 -2.652 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -19.710 1.109 -3.282 1.00 0.00 N ATOM 0 H HIS A 108 -21.115 -2.228 -5.640 1.00 0.00 H new ATOM 0 HA HIS A 108 -23.302 -1.720 -3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -22.557 -0.050 -6.084 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -23.709 0.369 -4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -19.767 -0.302 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -20.608 2.391 -1.826 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -18.714 1.209 -3.085 1.00 0.00 H new ATOM 1791 N HIS A 109 -24.914 -1.622 -6.026 1.00 0.00 N ATOM 1792 CA HIS A 109 -25.893 -2.228 -6.972 1.00 0.00 C ATOM 1793 C HIS A 109 -26.423 -3.538 -6.386 1.00 0.00 C ATOM 1794 O HIS A 109 -25.899 -4.603 -6.647 1.00 0.00 O ATOM 1795 CB HIS A 109 -25.206 -2.508 -8.311 1.00 0.00 C ATOM 1796 CG HIS A 109 -26.229 -2.487 -9.413 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -25.872 -2.477 -10.753 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -27.602 -2.474 -9.391 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -27.008 -2.459 -11.475 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -28.091 -2.456 -10.694 1.00 0.00 N ATOM 0 H HIS A 109 -25.124 -0.667 -5.737 1.00 0.00 H new ATOM 0 HA HIS A 109 -26.722 -1.538 -7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -24.436 -1.760 -8.500 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -24.708 -3.477 -8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -28.210 -2.477 -8.498 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -27.040 -2.448 -12.554 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -29.067 -2.443 -10.989 1.00 0.00 H new ATOM 1808 N HIS A 110 -27.458 -3.469 -5.595 1.00 0.00 N ATOM 1809 CA HIS A 110 -28.019 -4.710 -4.992 1.00 0.00 C ATOM 1810 C HIS A 110 -29.111 -5.273 -5.904 1.00 0.00 C ATOM 1811 O HIS A 110 -29.883 -4.540 -6.489 1.00 0.00 O ATOM 1812 CB HIS A 110 -28.619 -4.385 -3.622 1.00 0.00 C ATOM 1813 CG HIS A 110 -27.702 -4.889 -2.541 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -27.524 -6.241 -2.294 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -26.906 -4.234 -1.634 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -26.652 -6.356 -1.276 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -26.244 -5.163 -0.836 1.00 0.00 N ATOM 0 H HIS A 110 -27.939 -2.607 -5.340 1.00 0.00 H new ATOM 0 HA HIS A 110 -27.225 -5.448 -4.877 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -28.761 -3.309 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -29.602 -4.846 -3.525 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -26.808 -3.162 -1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -26.322 -7.299 -0.865 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -25.588 -4.973 -0.078 1.00 0.00 H new ATOM 1825 N HIS A 111 -29.182 -6.570 -6.029 1.00 0.00 N ATOM 1826 CA HIS A 111 -30.225 -7.178 -6.902 1.00 0.00 C ATOM 1827 C HIS A 111 -31.101 -8.117 -6.071 1.00 0.00 C ATOM 1828 O HIS A 111 -31.293 -9.267 -6.412 1.00 0.00 O ATOM 1829 CB HIS A 111 -29.553 -7.967 -8.028 1.00 0.00 C ATOM 1830 CG HIS A 111 -28.671 -9.035 -7.440 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -27.392 -8.765 -6.978 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -28.868 -10.378 -7.236 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -26.874 -9.921 -6.524 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -27.732 -10.936 -6.658 1.00 0.00 N ATOM 0 H HIS A 111 -28.563 -7.234 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 111 -30.844 -6.390 -7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -30.309 -8.419 -8.670 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -28.963 -7.297 -8.653 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -29.768 -10.920 -7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -25.884 -10.017 -6.102 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -27.586 -11.910 -6.394 1.00 0.00 H new ATOM 1842 N HIS A 112 -31.634 -7.636 -4.981 1.00 0.00 N ATOM 1843 CA HIS A 112 -32.499 -8.499 -4.129 1.00 0.00 C ATOM 1844 C HIS A 112 -33.807 -8.793 -4.866 1.00 0.00 C ATOM 1845 O HIS A 112 -34.375 -9.860 -4.742 1.00 0.00 O ATOM 1846 CB HIS A 112 -32.804 -7.776 -2.815 1.00 0.00 C ATOM 1847 CG HIS A 112 -33.411 -8.744 -1.837 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -34.771 -9.007 -1.806 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -32.857 -9.517 -0.847 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -34.989 -9.904 -0.827 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -33.855 -10.249 -0.210 1.00 0.00 N ATOM 0 H HIS A 112 -31.507 -6.682 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 112 -31.983 -9.435 -3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -31.890 -7.350 -2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -33.489 -6.947 -2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -31.806 -9.552 -0.600 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -35.962 -10.297 -0.571 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -33.745 -10.907 0.562 1.00 0.00 H new ATOM 1859 N HIS A 113 -34.288 -7.854 -5.634 1.00 0.00 N ATOM 1860 CA HIS A 113 -35.559 -8.077 -6.379 1.00 0.00 C ATOM 1861 C HIS A 113 -35.259 -8.804 -7.692 1.00 0.00 C ATOM 1862 O HIS A 113 -34.189 -9.382 -7.796 1.00 0.00 O ATOM 1863 CB HIS A 113 -36.216 -6.729 -6.682 1.00 0.00 C ATOM 1864 CG HIS A 113 -37.707 -6.852 -6.531 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -38.584 -5.924 -7.070 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -38.492 -7.789 -5.904 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -39.833 -6.318 -6.760 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -39.834 -7.449 -6.050 1.00 0.00 N ATOM 1869 OXT HIS A 113 -36.104 -8.770 -8.571 1.00 0.00 O ATOM 0 H HIS A 113 -33.855 -6.942 -5.778 1.00 0.00 H new ATOM 0 HA HIS A 113 -36.234 -8.682 -5.774 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -35.833 -5.966 -6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -35.967 -6.411 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -38.124 -8.657 -5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -40.726 -5.784 -7.050 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -40.644 -7.955 -5.692 1.00 0.00 H new TER 1877 HIS A 113