USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1376 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 114 CYS SG : rot 93:sc= 0.845 USER MOD Set 1.2: A 120 GLN : amide:sc= -2.56! C(o=-1.7!,f=-7!) USER MOD Set 2.1: A 106 GLN :FLIP amide:sc= -4.13! C(o=-8!,f=-5.6!) USER MOD Set 2.2: A 108 TYR OH : rot 64:sc= -1.47! USER MOD Set 3.1: A 88 SER OG : rot 30:sc= 0.293 USER MOD Set 3.2: A 135 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 26 CYS SG : rot 89:sc= -0.946 USER MOD Set 4.2: A 82 CYS SG : rot 10:sc= 1.21 USER MOD Set 5.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.0665 (180deg=-0.234) USER MOD Single : A 1 SER OG : rot -52:sc= 0.506 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 6 LYS NZ :NH3+ -109:sc= -2.34 (180deg=-4.98!) USER MOD Single : A 8 SER OG : rot -93:sc= 1.14 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.039) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0322 F(o=-0.55,f=-0.032) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -109:sc= -0.326 USER MOD Single : A 24 CYS SG : rot -79:sc= 0.373 USER MOD Single : A 31 SER OG : rot -17:sc= 0.158 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -27:sc= 0.34 USER MOD Single : A 36 CYS SG : rot 42:sc= -2.81! USER MOD Single : A 37 ASN : amide:sc= -0.843 K(o=-0.84,f=-5.3!) USER MOD Single : A 38 SER OG : rot 59:sc= 0.583 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.16) USER MOD Single : A 55 SER OG : rot -86:sc= 0.842 USER MOD Single : A 57 HIS :FLIP no HD1:sc= 0.0925 F(o=-1.7,f=0.092) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.73! C(o=-3.7!,f=-5.8!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.34! C(o=-2.3!,f=-1.9!) USER MOD Single : A 81 SER OG : rot -90:sc= -0.0507 USER MOD Single : A 86 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-1.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.221 USER MOD Single : A 92 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -135:sc= -2.41 (180deg=-5.26!) USER MOD Single : A 96 GLN : amide:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0798 K(o=-0.08,f=-1.3!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 111 THR OG1 : rot 105:sc= 0.373 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= -0.0015 (180deg=-0.0015) USER MOD Single : A 122 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.26) USER MOD Single : A 127 HIS : no HD1:sc= -0.341 K(o=-0.34,f=-2.1) USER MOD Single : A 128 SER OG : rot 130:sc= -0.416 USER MOD Single : A 129 CYS SG : rot 42:sc= -0.71 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.778 K(o=-0.78,f=-2.7!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.3) USER MOD Single : A 149 TYR OH : rot 157:sc= -0.295 USER MOD Single : A 153 LYS NZ :NH3+ 178:sc= -5.34! (180deg=-5.75!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc=-0.00931 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -7.06! C(o=-7.1!,f=-8.8!) USER MOD Single : A 171 SER OG : rot -132:sc= -0.619 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.706 -22.867 3.904 1.00 4.50 N ATOM 2 CA SER A 1 13.448 -22.770 2.615 1.00 4.52 C ATOM 3 C SER A 1 12.622 -21.969 1.607 1.00 3.57 C ATOM 4 O SER A 1 12.738 -22.152 0.411 1.00 3.03 O ATOM 5 CB SER A 1 13.699 -24.175 2.064 1.00 4.81 C ATOM 6 OG SER A 1 14.604 -24.096 0.969 1.00 5.28 O ATOM 0 H1 SER A 1 13.164 -23.572 4.516 1.00 4.50 H new ATOM 0 H2 SER A 1 12.712 -21.941 4.378 1.00 4.50 H new ATOM 0 H3 SER A 1 11.724 -23.155 3.718 1.00 4.50 H new ATOM 0 HA SER A 1 14.401 -22.268 2.783 1.00 4.52 H new ATOM 0 HB2 SER A 1 14.109 -24.816 2.844 1.00 4.81 H new ATOM 0 HB3 SER A 1 12.760 -24.625 1.743 1.00 4.81 H new ATOM 0 HG SER A 1 14.275 -23.440 0.320 1.00 5.28 H new ATOM 14 N LYS A 2 11.788 -21.083 2.079 1.00 3.60 N ATOM 15 CA LYS A 2 10.956 -20.272 1.147 1.00 3.08 C ATOM 16 C LYS A 2 11.866 -19.375 0.306 1.00 2.11 C ATOM 17 O LYS A 2 12.248 -19.730 -0.791 1.00 2.12 O ATOM 18 CB LYS A 2 9.973 -19.420 1.956 1.00 3.28 C ATOM 19 CG LYS A 2 8.845 -20.306 2.490 1.00 3.95 C ATOM 20 CD LYS A 2 8.086 -19.562 3.593 1.00 4.66 C ATOM 21 CE LYS A 2 7.395 -18.332 3.002 1.00 5.66 C ATOM 22 NZ LYS A 2 6.371 -17.828 3.961 1.00 5.96 N ATOM 0 H LYS A 2 11.647 -20.886 3.070 1.00 3.60 H new ATOM 0 HA LYS A 2 10.394 -20.929 0.483 1.00 3.08 H new ATOM 0 HB2 LYS A 2 10.491 -18.936 2.783 1.00 3.28 H new ATOM 0 HB3 LYS A 2 9.562 -18.628 1.330 1.00 3.28 H new ATOM 0 HG2 LYS A 2 8.164 -20.572 1.682 1.00 3.95 H new ATOM 0 HG3 LYS A 2 9.255 -21.237 2.881 1.00 3.95 H new ATOM 0 HD2 LYS A 2 7.348 -20.222 4.049 1.00 4.66 H new ATOM 0 HD3 LYS A 2 8.775 -19.260 4.382 1.00 4.66 H new ATOM 0 HE2 LYS A 2 8.129 -17.553 2.795 1.00 5.66 H new ATOM 0 HE3 LYS A 2 6.925 -18.587 2.052 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 5.901 -16.992 3.559 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 5.665 -18.571 4.137 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 6.832 -17.569 4.857 1.00 5.96 H new ATOM 36 N THR A 3 12.211 -18.213 0.791 1.00 1.72 N ATOM 37 CA THR A 3 13.085 -17.298 0.003 1.00 1.18 C ATOM 38 C THR A 3 13.519 -16.131 0.894 1.00 1.02 C ATOM 39 O THR A 3 12.961 -15.944 1.959 1.00 1.63 O ATOM 40 CB THR A 3 12.289 -16.734 -1.177 1.00 1.48 C ATOM 41 OG1 THR A 3 13.114 -15.851 -1.926 1.00 2.13 O ATOM 42 CG2 THR A 3 11.066 -15.977 -0.657 1.00 2.22 C ATOM 0 H THR A 3 11.924 -17.857 1.703 1.00 1.72 H new ATOM 0 HA THR A 3 13.956 -17.845 -0.357 1.00 1.18 H new ATOM 0 HB THR A 3 11.960 -17.553 -1.817 1.00 1.48 H new ATOM 0 HG1 THR A 3 12.606 -15.491 -2.682 1.00 2.13 H new ATOM 0 HG21 THR A 3 10.501 -15.576 -1.499 1.00 2.22 H new ATOM 0 HG22 THR A 3 10.433 -16.656 -0.086 1.00 2.22 H new ATOM 0 HG23 THR A 3 11.391 -15.158 -0.015 1.00 2.22 H new ATOM 50 N GLY A 4 14.462 -15.313 0.486 1.00 0.52 N ATOM 51 CA GLY A 4 14.871 -14.134 1.321 1.00 0.30 C ATOM 52 C GLY A 4 14.593 -12.882 0.490 1.00 0.41 C ATOM 53 O GLY A 4 15.165 -12.687 -0.564 1.00 0.81 O ATOM 0 H GLY A 4 14.969 -15.411 -0.394 1.00 0.52 H new ATOM 0 HA2 GLY A 4 14.310 -14.110 2.255 1.00 0.30 H new ATOM 0 HA3 GLY A 4 15.927 -14.196 1.585 1.00 0.30 H new ATOM 57 N GLY A 5 13.716 -12.031 0.949 1.00 0.01 N ATOM 58 CA GLY A 5 13.406 -10.796 0.175 1.00 0.01 C ATOM 59 C GLY A 5 14.553 -9.795 0.323 1.00 0.01 C ATOM 60 O GLY A 5 15.183 -9.704 1.357 1.00 0.01 O ATOM 0 H GLY A 5 13.202 -12.137 1.824 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.258 -11.042 -0.877 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.476 -10.354 0.533 1.00 0.01 H new ATOM 64 N LYS A 6 14.831 -9.043 -0.709 1.00 0.00 N ATOM 65 CA LYS A 6 15.941 -8.045 -0.637 1.00 0.01 C ATOM 66 C LYS A 6 15.659 -6.895 -1.602 1.00 0.01 C ATOM 67 O LYS A 6 15.234 -7.104 -2.728 1.00 0.00 O ATOM 68 CB LYS A 6 17.272 -8.706 -1.007 1.00 0.02 C ATOM 69 CG LYS A 6 18.432 -7.804 -0.578 1.00 0.02 C ATOM 70 CD LYS A 6 19.724 -8.265 -1.264 1.00 0.02 C ATOM 71 CE LYS A 6 20.075 -9.687 -0.811 1.00 0.02 C ATOM 72 NZ LYS A 6 19.251 -10.670 -1.569 1.00 0.02 N ATOM 0 H LYS A 6 14.337 -9.076 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 6 16.005 -7.662 0.381 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.355 -9.678 -0.520 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.315 -8.884 -2.082 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.218 -6.769 -0.842 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.551 -7.838 0.505 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.601 -8.239 -2.347 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.539 -7.584 -1.019 1.00 0.02 H new ATOM 0 HE2 LYS A 6 21.135 -9.881 -0.976 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.895 -9.794 0.259 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 18.543 -11.092 -0.935 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 18.768 -10.187 -2.353 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 19.865 -11.418 -1.949 1.00 0.02 H new ATOM 86 N ILE A 7 15.921 -5.682 -1.161 1.00 0.02 N ATOM 87 CA ILE A 7 15.703 -4.476 -2.023 1.00 0.00 C ATOM 88 C ILE A 7 16.963 -3.600 -2.001 1.00 0.02 C ATOM 89 O ILE A 7 17.600 -3.439 -0.976 1.00 0.01 O ATOM 90 CB ILE A 7 14.480 -3.701 -1.525 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.380 -2.365 -2.265 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.607 -3.443 -0.026 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.017 -1.723 -1.986 1.00 0.02 C ATOM 0 H ILE A 7 16.281 -5.477 -0.229 1.00 0.02 H new ATOM 0 HA ILE A 7 15.514 -4.782 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 7 13.583 -4.290 -1.715 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.180 -1.699 -1.943 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.507 -2.521 -3.336 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.734 -2.891 0.323 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.671 -4.394 0.503 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.507 -2.859 0.168 1.00 0.01 H new ATOM 0 HD11 ILE A 7 12.948 -0.772 -2.514 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.225 -2.387 -2.330 1.00 0.02 H new ATOM 0 HD13 ILE A 7 12.908 -1.552 -0.915 1.00 0.02 H new ATOM 105 N SER A 8 17.324 -3.031 -3.130 1.00 0.02 N ATOM 106 CA SER A 8 18.543 -2.154 -3.201 1.00 0.02 C ATOM 107 C SER A 8 18.155 -0.747 -3.677 1.00 0.01 C ATOM 108 O SER A 8 17.491 -0.582 -4.679 1.00 0.02 O ATOM 109 CB SER A 8 19.560 -2.751 -4.178 1.00 0.30 C ATOM 110 OG SER A 8 19.643 -4.154 -3.971 1.00 0.39 O ATOM 0 H SER A 8 16.823 -3.137 -4.012 1.00 0.02 H new ATOM 0 HA SER A 8 18.984 -2.091 -2.206 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.262 -2.540 -5.205 1.00 0.30 H new ATOM 0 HB3 SER A 8 20.537 -2.292 -4.029 1.00 0.30 H new ATOM 0 HG SER A 8 20.370 -4.350 -3.344 1.00 0.39 H new ATOM 116 N PHE A 9 18.590 0.269 -2.965 1.00 0.02 N ATOM 117 CA PHE A 9 18.285 1.683 -3.361 1.00 0.01 C ATOM 118 C PHE A 9 19.569 2.351 -3.871 1.00 0.01 C ATOM 119 O PHE A 9 20.631 2.157 -3.310 1.00 0.02 O ATOM 120 CB PHE A 9 17.794 2.467 -2.139 1.00 0.02 C ATOM 121 CG PHE A 9 16.581 1.803 -1.527 1.00 0.01 C ATOM 122 CD1 PHE A 9 16.738 0.702 -0.677 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.301 2.304 -1.794 1.00 0.01 C ATOM 124 CE1 PHE A 9 15.615 0.102 -0.095 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.178 1.702 -1.213 1.00 0.02 C ATOM 126 CZ PHE A 9 14.337 0.603 -0.363 1.00 0.02 C ATOM 0 H PHE A 9 19.149 0.177 -2.117 1.00 0.02 H new ATOM 0 HA PHE A 9 17.519 1.679 -4.137 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.591 2.532 -1.398 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.547 3.488 -2.431 1.00 0.02 H new ATOM 0 HD1 PHE A 9 17.725 0.316 -0.470 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.180 3.155 -2.448 1.00 0.01 H new ATOM 0 HE1 PHE A 9 15.735 -0.748 0.561 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.190 2.086 -1.421 1.00 0.02 H new ATOM 0 HZ PHE A 9 13.471 0.140 0.087 1.00 0.02 H new ATOM 136 N TYR A 10 19.484 3.136 -4.925 1.00 0.02 N ATOM 137 CA TYR A 10 20.702 3.822 -5.476 1.00 0.01 C ATOM 138 C TYR A 10 20.473 5.338 -5.475 1.00 0.02 C ATOM 139 O TYR A 10 19.394 5.822 -5.781 1.00 0.01 O ATOM 140 CB TYR A 10 20.945 3.367 -6.920 1.00 0.02 C ATOM 141 CG TYR A 10 20.909 1.856 -7.009 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.692 1.175 -6.883 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.091 1.137 -7.234 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.655 -0.222 -6.981 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.054 -0.260 -7.331 1.00 0.02 C ATOM 146 CZ TYR A 10 20.837 -0.939 -7.203 1.00 0.00 C ATOM 147 OH TYR A 10 20.801 -2.317 -7.301 1.00 0.02 O ATOM 0 H TYR A 10 18.619 3.331 -5.429 1.00 0.02 H new ATOM 0 HA TYR A 10 21.564 3.569 -4.858 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.186 3.795 -7.576 1.00 0.02 H new ATOM 0 HB3 TYR A 10 21.910 3.735 -7.267 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.780 1.728 -6.710 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.031 1.660 -7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.715 -0.746 -6.885 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.965 -0.813 -7.505 1.00 0.02 H new ATOM 0 HH TYR A 10 21.707 -2.658 -7.457 1.00 0.02 H new ATOM 157 N GLU A 11 21.469 6.098 -5.088 1.00 0.00 N ATOM 158 CA GLU A 11 21.294 7.578 -5.021 1.00 0.02 C ATOM 159 C GLU A 11 21.174 8.202 -6.414 1.00 0.03 C ATOM 160 O GLU A 11 20.560 9.240 -6.563 1.00 0.03 O ATOM 161 CB GLU A 11 22.493 8.200 -4.306 1.00 0.00 C ATOM 162 CG GLU A 11 22.616 7.606 -2.904 1.00 0.00 C ATOM 163 CD GLU A 11 23.620 8.425 -2.088 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.707 8.661 -2.587 1.00 0.01 O ATOM 165 OE2 GLU A 11 23.284 8.801 -0.978 1.00 0.02 O ATOM 0 H GLU A 11 22.391 5.757 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 11 20.371 7.777 -4.476 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.405 8.013 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.372 9.282 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.644 7.607 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.942 6.568 -2.965 1.00 0.00 H new ATOM 172 N ASP A 12 21.746 7.602 -7.438 1.00 0.02 N ATOM 173 CA ASP A 12 21.647 8.199 -8.811 1.00 0.01 C ATOM 174 C ASP A 12 20.831 7.287 -9.731 1.00 0.02 C ATOM 175 O ASP A 12 20.499 6.166 -9.397 1.00 0.02 O ATOM 176 CB ASP A 12 23.048 8.370 -9.402 1.00 0.01 C ATOM 177 CG ASP A 12 23.960 9.034 -8.371 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.477 9.341 -7.295 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.125 9.225 -8.676 1.00 0.02 O ATOM 0 H ASP A 12 22.273 6.731 -7.381 1.00 0.02 H new ATOM 0 HA ASP A 12 21.154 9.168 -8.732 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.453 7.400 -9.690 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.001 8.977 -10.306 1.00 0.01 H new ATOM 184 N ARG A 13 20.506 7.785 -10.890 1.00 0.02 N ATOM 185 CA ARG A 13 19.705 6.999 -11.872 1.00 0.02 C ATOM 186 C ARG A 13 20.581 5.931 -12.532 1.00 0.00 C ATOM 187 O ARG A 13 21.790 6.036 -12.573 1.00 0.02 O ATOM 188 CB ARG A 13 19.181 7.961 -12.941 1.00 0.00 C ATOM 189 CG ARG A 13 18.032 8.792 -12.365 1.00 0.01 C ATOM 190 CD ARG A 13 17.523 9.765 -13.429 1.00 0.02 C ATOM 191 NE ARG A 13 18.645 10.631 -13.889 1.00 0.03 N ATOM 192 CZ ARG A 13 18.525 11.322 -14.989 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.425 11.253 -15.690 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.506 12.083 -15.389 1.00 0.02 N ATOM 0 H ARG A 13 20.766 8.720 -11.205 1.00 0.02 H new ATOM 0 HA ARG A 13 18.877 6.505 -11.364 1.00 0.02 H new ATOM 0 HB2 ARG A 13 19.983 8.617 -13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.838 7.402 -13.811 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.224 8.138 -12.039 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.371 9.342 -11.487 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.106 9.213 -14.272 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.720 10.379 -13.021 1.00 0.02 H new ATOM 0 HE ARG A 13 19.506 10.683 -13.344 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.658 10.658 -15.378 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.333 11.794 -16.550 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.365 12.137 -14.842 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.414 12.624 -16.249 1.00 0.02 H new ATOM 208 N ASN A 14 19.961 4.907 -13.056 1.00 0.02 N ATOM 209 CA ASN A 14 20.714 3.814 -13.738 1.00 0.02 C ATOM 210 C ASN A 14 21.591 3.052 -12.739 1.00 0.02 C ATOM 211 O ASN A 14 22.680 2.614 -13.048 1.00 0.02 O ATOM 212 CB ASN A 14 21.567 4.417 -14.862 1.00 0.26 C ATOM 213 CG ASN A 14 21.915 3.336 -15.889 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.065 2.894 -16.635 1.00 0.74 O ATOM 215 ND2 ASN A 14 23.139 2.888 -15.959 1.00 0.46 N ATOM 0 H ASN A 14 18.949 4.780 -13.040 1.00 0.02 H new ATOM 0 HA ASN A 14 20.007 3.102 -14.165 1.00 0.02 H new ATOM 0 HB2 ASN A 14 21.025 5.230 -15.346 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.480 4.845 -14.448 1.00 0.26 H new ATOM 0 HD21 ASN A 14 23.380 2.168 -16.640 1.00 0.46 H new ATOM 0 HD22 ASN A 14 23.854 3.258 -15.333 1.00 0.46 H new ATOM 222 N PHE A 15 21.088 2.917 -11.534 1.00 0.02 N ATOM 223 CA PHE A 15 21.806 2.193 -10.435 1.00 0.02 C ATOM 224 C PHE A 15 23.246 2.685 -10.292 1.00 0.00 C ATOM 225 O PHE A 15 24.170 1.913 -10.128 1.00 0.02 O ATOM 226 CB PHE A 15 21.779 0.669 -10.663 1.00 0.02 C ATOM 227 CG PHE A 15 22.131 0.324 -12.089 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.123 0.234 -13.058 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.465 0.094 -12.446 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.449 -0.086 -14.381 1.00 0.02 C ATOM 231 CE2 PHE A 15 23.791 -0.227 -13.769 1.00 0.02 C ATOM 232 CZ PHE A 15 22.783 -0.316 -14.736 1.00 0.02 C ATOM 0 H PHE A 15 20.180 3.291 -11.259 1.00 0.02 H new ATOM 0 HA PHE A 15 21.280 2.410 -9.505 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.482 0.185 -9.985 1.00 0.02 H new ATOM 0 HB3 PHE A 15 20.788 0.281 -10.426 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.094 0.412 -12.784 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.243 0.164 -11.700 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.672 -0.155 -15.127 1.00 0.02 H new ATOM 0 HE2 PHE A 15 24.820 -0.406 -14.043 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.035 -0.562 -15.757 1.00 0.02 H new ATOM 242 N GLN A 16 23.422 3.978 -10.321 1.00 0.02 N ATOM 243 CA GLN A 16 24.781 4.580 -10.156 1.00 0.02 C ATOM 244 C GLN A 16 24.808 5.332 -8.820 1.00 0.02 C ATOM 245 O GLN A 16 23.777 5.578 -8.219 1.00 0.02 O ATOM 246 CB GLN A 16 25.044 5.565 -11.303 1.00 0.02 C ATOM 247 CG GLN A 16 25.442 4.789 -12.561 1.00 0.00 C ATOM 248 CD GLN A 16 25.459 5.738 -13.761 1.00 0.00 C ATOM 249 OE1 GLN A 16 24.493 6.604 -13.908 1.00 0.02 O flip ATOM 250 NE2 GLN A 16 26.361 5.692 -14.574 1.00 0.02 N flip ATOM 0 H GLN A 16 22.671 4.655 -10.454 1.00 0.02 H new ATOM 0 HA GLN A 16 25.546 3.804 -10.170 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.152 6.160 -11.497 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.837 6.260 -11.025 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.425 4.337 -12.427 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.739 3.975 -12.737 1.00 0.00 H new ATOM 0 HE21 GLN A 16 27.116 5.016 -14.460 1.00 0.02 H new ATOM 0 HE22 GLN A 16 26.363 6.330 -15.370 1.00 0.02 H new ATOM 259 N GLY A 17 25.967 5.696 -8.339 1.00 0.03 N ATOM 260 CA GLY A 17 26.037 6.431 -7.041 1.00 0.03 C ATOM 261 C GLY A 17 26.148 5.448 -5.869 1.00 0.02 C ATOM 262 O GLY A 17 26.380 4.270 -6.052 1.00 0.02 O ATOM 0 H GLY A 17 26.866 5.517 -8.787 1.00 0.03 H new ATOM 0 HA2 GLY A 17 26.896 7.102 -7.043 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.149 7.051 -6.920 1.00 0.03 H new ATOM 266 N ARG A 18 25.974 5.929 -4.668 1.00 0.00 N ATOM 267 CA ARG A 18 26.056 5.034 -3.476 1.00 0.02 C ATOM 268 C ARG A 18 24.853 4.090 -3.481 1.00 0.02 C ATOM 269 O ARG A 18 23.761 4.458 -3.870 1.00 0.02 O ATOM 270 CB ARG A 18 26.046 5.891 -2.205 1.00 0.79 C ATOM 271 CG ARG A 18 26.542 5.058 -1.020 1.00 1.49 C ATOM 272 CD ARG A 18 26.241 5.797 0.286 1.00 1.42 C ATOM 273 NE ARG A 18 26.732 4.992 1.440 1.00 2.07 N ATOM 274 CZ ARG A 18 26.859 5.545 2.614 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.553 6.801 2.780 1.00 2.53 N ATOM 276 NH2 ARG A 18 27.287 4.838 3.624 1.00 2.76 N ATOM 0 H ARG A 18 25.778 6.908 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 18 26.975 4.448 -3.506 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.682 6.766 -2.339 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.038 6.257 -2.009 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.055 4.083 -1.019 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.613 4.880 -1.111 1.00 1.49 H new ATOM 0 HD2 ARG A 18 26.722 6.775 0.281 1.00 1.42 H new ATOM 0 HD3 ARG A 18 25.169 5.969 0.380 1.00 1.42 H new ATOM 0 HE ARG A 18 26.969 4.008 1.311 1.00 2.07 H new ATOM 0 HH11 ARG A 18 26.214 7.352 1.991 1.00 2.53 H new ATOM 0 HH12 ARG A 18 26.653 7.233 3.699 1.00 2.53 H new ATOM 0 HH21 ARG A 18 27.522 3.854 3.495 1.00 2.76 H new ATOM 0 HH22 ARG A 18 27.387 5.270 4.543 1.00 2.76 H new ATOM 290 N ARG A 19 25.056 2.860 -3.068 1.00 0.02 N ATOM 291 CA ARG A 19 23.947 1.855 -3.062 1.00 0.02 C ATOM 292 C ARG A 19 23.757 1.285 -1.653 1.00 0.02 C ATOM 293 O ARG A 19 24.693 1.155 -0.889 1.00 0.02 O ATOM 294 CB ARG A 19 24.326 0.707 -4.006 1.00 0.85 C ATOM 295 CG ARG A 19 23.132 -0.234 -4.201 1.00 1.31 C ATOM 296 CD ARG A 19 23.597 -1.507 -4.918 1.00 1.34 C ATOM 297 NE ARG A 19 24.693 -1.173 -5.871 1.00 1.50 N ATOM 298 CZ ARG A 19 25.440 -2.122 -6.363 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.224 -3.363 -6.027 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.404 -1.830 -7.193 1.00 1.89 N ATOM 0 H ARG A 19 25.952 2.508 -2.732 1.00 0.02 H new ATOM 0 HA ARG A 19 23.023 2.335 -3.383 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.643 1.108 -4.969 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.171 0.154 -3.597 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.693 -0.487 -3.236 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.356 0.262 -4.784 1.00 1.31 H new ATOM 0 HD2 ARG A 19 23.945 -2.240 -4.190 1.00 1.34 H new ATOM 0 HD3 ARG A 19 22.762 -1.961 -5.453 1.00 1.34 H new ATOM 0 HE ARG A 19 24.859 -0.203 -6.138 1.00 1.50 H new ATOM 0 HH11 ARG A 19 24.470 -3.592 -5.379 1.00 1.72 H new ATOM 0 HH12 ARG A 19 25.809 -4.105 -6.412 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.573 -0.859 -7.457 1.00 1.89 H new ATOM 0 HH22 ARG A 19 26.988 -2.572 -7.578 1.00 1.89 H new ATOM 314 N TYR A 20 22.546 0.906 -1.330 1.00 0.02 N ATOM 315 CA TYR A 20 22.270 0.287 0.009 1.00 0.02 C ATOM 316 C TYR A 20 21.353 -0.920 -0.172 1.00 0.02 C ATOM 317 O TYR A 20 20.358 -0.847 -0.858 1.00 0.02 O ATOM 318 CB TYR A 20 21.617 1.289 0.972 1.00 0.02 C ATOM 319 CG TYR A 20 21.870 0.821 2.393 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.190 -0.296 2.895 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.805 1.486 3.195 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.440 -0.742 4.199 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.058 1.037 4.498 1.00 0.02 C ATOM 324 CZ TYR A 20 22.375 -0.075 5.000 1.00 0.02 C ATOM 325 OH TYR A 20 22.622 -0.517 6.284 1.00 0.01 O ATOM 0 H TYR A 20 21.731 0.998 -1.937 1.00 0.02 H new ATOM 0 HA TYR A 20 23.221 -0.023 0.442 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.032 2.286 0.821 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.546 1.357 0.780 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.472 -0.814 2.276 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.332 2.346 2.809 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.912 -1.600 4.587 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.781 1.550 5.115 1.00 0.02 H new ATOM 0 HH TYR A 20 23.298 0.056 6.703 1.00 0.01 H new ATOM 335 N ASP A 21 21.675 -2.024 0.451 1.00 0.01 N ATOM 336 CA ASP A 21 20.822 -3.250 0.336 1.00 0.02 C ATOM 337 C ASP A 21 20.113 -3.481 1.672 1.00 0.00 C ATOM 338 O ASP A 21 20.702 -3.351 2.728 1.00 0.01 O ATOM 339 CB ASP A 21 21.723 -4.447 0.024 1.00 0.12 C ATOM 340 CG ASP A 21 22.210 -4.354 -1.423 1.00 0.41 C ATOM 341 OD1 ASP A 21 23.142 -3.605 -1.667 1.00 0.56 O ATOM 342 OD2 ASP A 21 21.644 -5.035 -2.263 1.00 1.12 O ATOM 0 H ASP A 21 22.500 -2.132 1.041 1.00 0.01 H new ATOM 0 HA ASP A 21 20.084 -3.128 -0.457 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.574 -4.463 0.705 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.176 -5.377 0.176 1.00 0.12 H new ATOM 347 N CYS A 22 18.838 -3.802 1.628 1.00 0.01 N ATOM 348 CA CYS A 22 18.059 -4.025 2.889 1.00 0.00 C ATOM 349 C CYS A 22 17.365 -5.389 2.828 1.00 0.02 C ATOM 350 O CYS A 22 16.817 -5.773 1.811 1.00 0.01 O ATOM 351 CB CYS A 22 17.014 -2.905 3.026 1.00 0.00 C ATOM 352 SG CYS A 22 17.675 -1.383 2.305 1.00 0.02 S ATOM 0 H CYS A 22 18.303 -3.919 0.768 1.00 0.01 H new ATOM 0 HA CYS A 22 18.726 -4.010 3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.091 -3.189 2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.768 -2.747 4.076 1.00 0.00 H new ATOM 0 HG CYS A 22 17.949 -0.537 3.253 1.00 0.02 H new ATOM 358 N ASP A 23 17.392 -6.126 3.915 1.00 0.01 N ATOM 359 CA ASP A 23 16.748 -7.477 3.954 1.00 0.02 C ATOM 360 C ASP A 23 15.640 -7.506 5.014 1.00 0.00 C ATOM 361 O ASP A 23 15.117 -8.554 5.340 1.00 0.02 O ATOM 362 CB ASP A 23 17.808 -8.525 4.297 1.00 0.16 C ATOM 363 CG ASP A 23 18.398 -8.222 5.675 1.00 0.17 C ATOM 364 OD1 ASP A 23 19.301 -7.405 5.744 1.00 0.20 O ATOM 365 OD2 ASP A 23 17.934 -8.812 6.637 1.00 0.17 O ATOM 0 H ASP A 23 17.839 -5.844 4.787 1.00 0.01 H new ATOM 0 HA ASP A 23 16.309 -7.694 2.980 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.365 -9.521 4.290 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.596 -8.521 3.544 1.00 0.16 H new ATOM 370 N CYS A 24 15.265 -6.373 5.554 1.00 0.01 N ATOM 371 CA CYS A 24 14.183 -6.359 6.584 1.00 0.01 C ATOM 372 C CYS A 24 13.593 -4.945 6.672 1.00 0.01 C ATOM 373 O CYS A 24 14.089 -4.025 6.053 1.00 0.01 O ATOM 374 CB CYS A 24 14.765 -6.761 7.942 1.00 0.62 C ATOM 375 SG CYS A 24 13.417 -7.124 9.092 1.00 1.23 S ATOM 0 H CYS A 24 15.660 -5.461 5.327 1.00 0.01 H new ATOM 0 HA CYS A 24 13.400 -7.065 6.307 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.407 -7.635 7.830 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.387 -5.957 8.336 1.00 0.62 H new ATOM 0 HG CYS A 24 12.923 -6.011 9.547 1.00 1.23 H new ATOM 381 N ASP A 25 12.537 -4.753 7.423 1.00 0.02 N ATOM 382 CA ASP A 25 11.923 -3.394 7.526 1.00 0.01 C ATOM 383 C ASP A 25 12.905 -2.402 8.157 1.00 0.02 C ATOM 384 O ASP A 25 13.681 -2.746 9.026 1.00 0.00 O ATOM 385 CB ASP A 25 10.677 -3.478 8.411 1.00 0.01 C ATOM 386 CG ASP A 25 11.019 -4.218 9.707 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.300 -5.402 9.632 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.992 -3.587 10.750 1.00 0.01 O ATOM 0 H ASP A 25 12.074 -5.479 7.969 1.00 0.02 H new ATOM 0 HA ASP A 25 11.665 -3.050 6.525 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.311 -2.477 8.637 1.00 0.01 H new ATOM 0 HB3 ASP A 25 9.878 -3.998 7.883 1.00 0.01 H new ATOM 393 N CYS A 26 12.852 -1.162 7.733 1.00 0.01 N ATOM 394 CA CYS A 26 13.751 -0.110 8.310 1.00 0.01 C ATOM 395 C CYS A 26 12.924 1.157 8.595 1.00 0.01 C ATOM 396 O CYS A 26 12.315 1.720 7.708 1.00 0.01 O ATOM 397 CB CYS A 26 14.883 0.196 7.322 1.00 0.01 C ATOM 398 SG CYS A 26 15.279 -1.300 6.383 1.00 0.02 S ATOM 0 H CYS A 26 12.219 -0.830 7.005 1.00 0.01 H new ATOM 0 HA CYS A 26 14.191 -0.464 9.242 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.584 0.996 6.645 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.765 0.546 7.859 1.00 0.01 H new ATOM 0 HG CYS A 26 14.525 -1.361 5.325 1.00 0.02 H new ATOM 404 N ALA A 27 12.865 1.572 9.836 1.00 0.01 N ATOM 405 CA ALA A 27 12.037 2.766 10.203 1.00 0.01 C ATOM 406 C ALA A 27 12.734 4.084 9.839 1.00 0.01 C ATOM 407 O ALA A 27 12.092 5.111 9.731 1.00 0.02 O ATOM 408 CB ALA A 27 11.760 2.741 11.708 1.00 0.24 C ATOM 0 H ALA A 27 13.356 1.134 10.615 1.00 0.01 H new ATOM 0 HA ALA A 27 11.106 2.714 9.638 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.158 3.607 11.982 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.221 1.829 11.964 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.704 2.769 12.252 1.00 0.24 H new ATOM 414 N ASP A 28 14.028 4.086 9.672 1.00 0.01 N ATOM 415 CA ASP A 28 14.730 5.367 9.334 1.00 0.02 C ATOM 416 C ASP A 28 16.020 5.064 8.573 1.00 0.01 C ATOM 417 O ASP A 28 16.991 4.602 9.137 1.00 0.02 O ATOM 418 CB ASP A 28 15.055 6.131 10.619 1.00 0.67 C ATOM 419 CG ASP A 28 15.693 7.474 10.266 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.206 8.116 9.351 1.00 1.14 O ATOM 421 OD2 ASP A 28 16.656 7.839 10.918 1.00 0.87 O ATOM 0 H ASP A 28 14.629 3.266 9.753 1.00 0.01 H new ATOM 0 HA ASP A 28 14.080 5.978 8.707 1.00 0.02 H new ATOM 0 HB2 ASP A 28 14.147 6.289 11.200 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.733 5.546 11.241 1.00 0.67 H new ATOM 426 N PHE A 29 16.032 5.310 7.286 1.00 0.02 N ATOM 427 CA PHE A 29 17.244 5.032 6.451 1.00 0.02 C ATOM 428 C PHE A 29 17.998 6.338 6.149 1.00 0.00 C ATOM 429 O PHE A 29 18.913 6.373 5.349 1.00 0.02 O ATOM 430 CB PHE A 29 16.770 4.361 5.130 1.00 2.87 C ATOM 431 CG PHE A 29 17.347 2.963 4.984 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.272 2.056 6.048 1.00 4.68 C ATOM 433 CD2 PHE A 29 17.951 2.577 3.779 1.00 4.52 C ATOM 434 CE1 PHE A 29 17.801 0.768 5.910 1.00 5.85 C ATOM 435 CE2 PHE A 29 18.478 1.288 3.643 1.00 5.75 C ATOM 436 CZ PHE A 29 18.403 0.384 4.710 1.00 6.37 C ATOM 0 H PHE A 29 15.242 5.697 6.770 1.00 0.02 H new ATOM 0 HA PHE A 29 17.927 4.371 6.985 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.681 4.311 5.115 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.073 4.972 4.280 1.00 2.87 H new ATOM 0 HD1 PHE A 29 16.805 2.351 6.976 1.00 4.68 H new ATOM 0 HD2 PHE A 29 18.009 3.274 2.956 1.00 4.52 H new ATOM 0 HE1 PHE A 29 17.744 0.070 6.732 1.00 5.85 H new ATOM 0 HE2 PHE A 29 18.943 0.990 2.715 1.00 5.75 H new ATOM 0 HZ PHE A 29 18.811 -0.610 4.605 1.00 6.37 H new ATOM 446 N ARG A 30 17.577 7.419 6.747 1.00 0.01 N ATOM 447 CA ARG A 30 18.216 8.736 6.472 1.00 0.00 C ATOM 448 C ARG A 30 19.701 8.742 6.854 1.00 0.01 C ATOM 449 O ARG A 30 20.482 9.471 6.277 1.00 0.02 O ATOM 450 CB ARG A 30 17.504 9.830 7.270 1.00 0.32 C ATOM 451 CG ARG A 30 16.040 9.911 6.832 1.00 0.86 C ATOM 452 CD ARG A 30 15.286 10.871 7.750 1.00 1.62 C ATOM 453 NE ARG A 30 15.967 12.196 7.749 1.00 2.25 N ATOM 454 CZ ARG A 30 15.349 13.249 8.212 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.133 13.143 8.674 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.947 14.409 8.213 1.00 3.02 N ATOM 0 H ARG A 30 16.811 7.446 7.420 1.00 0.01 H new ATOM 0 HA ARG A 30 18.133 8.921 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.564 9.614 8.337 1.00 0.32 H new ATOM 0 HB3 ARG A 30 17.996 10.790 7.111 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.977 10.254 5.799 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.583 8.922 6.868 1.00 0.86 H new ATOM 0 HD2 ARG A 30 14.255 10.980 7.413 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.249 10.470 8.763 1.00 1.62 H new ATOM 0 HE ARG A 30 16.917 12.281 7.386 1.00 2.25 H new ATOM 0 HH11 ARG A 30 13.664 12.237 8.674 1.00 3.11 H new ATOM 0 HH12 ARG A 30 13.651 13.966 9.035 1.00 3.11 H new ATOM 0 HH21 ARG A 30 16.897 14.493 7.852 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.464 15.231 8.575 1.00 3.02 H new ATOM 470 N SER A 31 20.108 7.972 7.827 1.00 0.02 N ATOM 471 CA SER A 31 21.545 7.994 8.236 1.00 0.02 C ATOM 472 C SER A 31 22.407 7.211 7.246 1.00 0.01 C ATOM 473 O SER A 31 23.616 7.338 7.230 1.00 0.02 O ATOM 474 CB SER A 31 21.678 7.363 9.622 1.00 0.37 C ATOM 475 OG SER A 31 23.044 7.369 10.013 1.00 0.88 O ATOM 0 H SER A 31 19.514 7.332 8.354 1.00 0.02 H new ATOM 0 HA SER A 31 21.887 9.029 8.252 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.079 7.917 10.345 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.297 6.342 9.607 1.00 0.37 H new ATOM 0 HG SER A 31 23.609 7.520 9.226 1.00 0.88 H new ATOM 481 N TYR A 32 21.800 6.377 6.445 1.00 0.01 N ATOM 482 CA TYR A 32 22.580 5.546 5.475 1.00 0.01 C ATOM 483 C TYR A 32 22.406 6.074 4.053 1.00 0.02 C ATOM 484 O TYR A 32 23.200 5.791 3.178 1.00 0.02 O ATOM 485 CB TYR A 32 22.057 4.113 5.539 1.00 0.02 C ATOM 486 CG TYR A 32 22.473 3.482 6.850 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.828 3.236 7.107 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.508 3.144 7.807 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.218 2.652 8.317 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.898 2.560 9.019 1.00 0.02 C ATOM 491 CZ TYR A 32 23.252 2.314 9.274 1.00 0.02 C ATOM 492 OH TYR A 32 23.636 1.736 10.467 1.00 0.02 O ATOM 0 H TYR A 32 20.791 6.233 6.419 1.00 0.01 H new ATOM 0 HA TYR A 32 23.638 5.587 5.736 1.00 0.01 H new ATOM 0 HB2 TYR A 32 20.971 4.107 5.449 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.450 3.534 4.703 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.573 3.498 6.370 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.463 3.334 7.611 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.263 2.462 8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.154 2.299 9.757 1.00 0.02 H new ATOM 0 HH TYR A 32 22.844 1.566 11.018 1.00 0.02 H new ATOM 502 N LEU A 33 21.361 6.808 3.802 1.00 0.02 N ATOM 503 CA LEU A 33 21.122 7.318 2.417 1.00 0.02 C ATOM 504 C LEU A 33 20.397 8.664 2.487 1.00 0.02 C ATOM 505 O LEU A 33 19.382 8.808 3.142 1.00 0.02 O ATOM 506 CB LEU A 33 20.223 6.302 1.685 1.00 1.66 C ATOM 507 CG LEU A 33 20.428 6.403 0.159 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.642 5.567 -0.272 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.182 5.876 -0.563 1.00 2.80 C ATOM 0 H LEU A 33 20.660 7.079 4.492 1.00 0.02 H new ATOM 0 HA LEU A 33 22.069 7.445 1.892 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.455 5.292 2.023 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.178 6.489 1.931 1.00 1.66 H new ATOM 0 HG LEU A 33 20.598 7.448 -0.101 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.775 5.648 -1.351 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.535 5.936 0.232 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.479 4.523 -0.003 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.328 5.948 -1.641 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.015 4.834 -0.288 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.315 6.470 -0.274 1.00 2.80 H new ATOM 521 N SER A 34 20.932 9.659 1.827 1.00 0.02 N ATOM 522 CA SER A 34 20.311 11.012 1.857 1.00 0.02 C ATOM 523 C SER A 34 19.247 11.151 0.765 1.00 0.00 C ATOM 524 O SER A 34 18.475 12.090 0.761 1.00 0.01 O ATOM 525 CB SER A 34 21.395 12.067 1.639 1.00 0.02 C ATOM 526 OG SER A 34 20.813 13.362 1.715 1.00 0.02 O ATOM 0 H SER A 34 21.780 9.589 1.264 1.00 0.02 H new ATOM 0 HA SER A 34 19.834 11.153 2.827 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.177 11.962 2.391 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.867 11.924 0.667 1.00 0.02 H new ATOM 0 HG SER A 34 19.870 13.313 1.453 1.00 0.02 H new ATOM 532 N ARG A 35 19.193 10.234 -0.167 1.00 0.02 N ATOM 533 CA ARG A 35 18.182 10.317 -1.259 1.00 0.01 C ATOM 534 C ARG A 35 18.245 9.022 -2.075 1.00 0.02 C ATOM 535 O ARG A 35 19.215 8.293 -2.021 1.00 0.02 O ATOM 536 CB ARG A 35 18.499 11.508 -2.167 1.00 0.02 C ATOM 537 CG ARG A 35 19.949 11.414 -2.648 1.00 0.02 C ATOM 538 CD ARG A 35 20.301 12.669 -3.448 1.00 0.02 C ATOM 539 NE ARG A 35 21.598 12.463 -4.151 1.00 0.02 N ATOM 540 CZ ARG A 35 21.952 13.266 -5.117 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.172 14.254 -5.462 1.00 0.00 N ATOM 542 NH2 ARG A 35 23.088 13.083 -5.733 1.00 0.02 N ATOM 0 H ARG A 35 19.812 9.425 -0.217 1.00 0.02 H new ATOM 0 HA ARG A 35 17.186 10.449 -0.836 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.822 11.518 -3.021 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.344 12.442 -1.627 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.621 11.312 -1.796 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.082 10.526 -3.266 1.00 0.02 H new ATOM 0 HD2 ARG A 35 19.514 12.885 -4.170 1.00 0.02 H new ATOM 0 HD3 ARG A 35 20.368 13.530 -2.783 1.00 0.02 H new ATOM 0 HE ARG A 35 22.210 11.694 -3.877 1.00 0.02 H new ATOM 0 HH11 ARG A 35 20.286 14.398 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.448 14.882 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.698 12.313 -5.459 1.00 0.02 H new ATOM 0 HH22 ARG A 35 23.365 13.710 -6.488 1.00 0.02 H new ATOM 556 N CYS A 36 17.224 8.730 -2.841 1.00 0.02 N ATOM 557 CA CYS A 36 17.226 7.488 -3.674 1.00 0.02 C ATOM 558 C CYS A 36 16.552 7.793 -5.012 1.00 0.02 C ATOM 559 O CYS A 36 15.379 8.111 -5.042 1.00 0.02 O ATOM 560 CB CYS A 36 16.436 6.397 -2.953 1.00 0.02 C ATOM 561 SG CYS A 36 14.913 7.114 -2.293 1.00 0.02 S ATOM 0 H CYS A 36 16.384 9.302 -2.926 1.00 0.02 H new ATOM 0 HA CYS A 36 18.250 7.151 -3.838 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.203 5.584 -3.641 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.032 5.971 -2.146 1.00 0.02 H new ATOM 0 HG CYS A 36 14.394 7.917 -3.174 1.00 0.02 H new ATOM 567 N ASN A 37 17.264 7.733 -6.119 1.00 0.02 N ATOM 568 CA ASN A 37 16.625 8.065 -7.437 1.00 0.01 C ATOM 569 C ASN A 37 16.396 6.805 -8.277 1.00 0.02 C ATOM 570 O ASN A 37 15.807 6.853 -9.339 1.00 0.02 O ATOM 571 CB ASN A 37 17.521 9.028 -8.217 1.00 0.02 C ATOM 572 CG ASN A 37 17.702 10.319 -7.416 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.863 10.284 -6.212 1.00 0.03 O ATOM 574 ND2 ASN A 37 17.679 11.467 -8.037 1.00 0.02 N ATOM 0 H ASN A 37 18.249 7.471 -6.166 1.00 0.02 H new ATOM 0 HA ASN A 37 15.660 8.529 -7.234 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.490 8.567 -8.407 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.077 9.249 -9.188 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.796 12.333 -7.512 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.544 11.498 -9.048 1.00 0.02 H new ATOM 581 N SER A 38 16.817 5.667 -7.787 1.00 0.02 N ATOM 582 CA SER A 38 16.588 4.391 -8.531 1.00 0.02 C ATOM 583 C SER A 38 16.538 3.251 -7.515 1.00 0.01 C ATOM 584 O SER A 38 17.094 3.346 -6.438 1.00 0.02 O ATOM 585 CB SER A 38 17.706 4.148 -9.548 1.00 0.01 C ATOM 586 OG SER A 38 17.826 2.752 -9.788 1.00 0.02 O ATOM 0 H SER A 38 17.311 5.566 -6.900 1.00 0.02 H new ATOM 0 HA SER A 38 15.649 4.448 -9.081 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.487 4.671 -10.479 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.648 4.547 -9.172 1.00 0.01 H new ATOM 0 HG SER A 38 16.972 2.402 -10.118 1.00 0.02 H new ATOM 592 N ILE A 39 15.854 2.179 -7.830 1.00 0.02 N ATOM 593 CA ILE A 39 15.748 1.051 -6.852 1.00 0.02 C ATOM 594 C ILE A 39 15.684 -0.289 -7.587 1.00 0.02 C ATOM 595 O ILE A 39 15.118 -0.408 -8.653 1.00 0.02 O ATOM 596 CB ILE A 39 14.459 1.216 -6.034 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.297 2.683 -5.623 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.532 0.340 -4.781 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.081 2.826 -4.705 1.00 0.00 C ATOM 0 H ILE A 39 15.368 2.036 -8.715 1.00 0.02 H new ATOM 0 HA ILE A 39 16.623 1.067 -6.203 1.00 0.02 H new ATOM 0 HB ILE A 39 13.605 0.912 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.195 3.029 -5.111 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.173 3.308 -6.508 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.617 0.458 -4.201 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.645 -0.704 -5.073 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.387 0.642 -4.175 1.00 0.01 H new ATOM 0 HD11 ILE A 39 12.966 3.870 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.186 2.496 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.223 2.214 -3.815 1.00 0.00 H new ATOM 611 N ARG A 40 16.231 -1.309 -6.976 1.00 0.02 N ATOM 612 CA ARG A 40 16.184 -2.682 -7.564 1.00 0.02 C ATOM 613 C ARG A 40 15.565 -3.618 -6.524 1.00 0.01 C ATOM 614 O ARG A 40 16.053 -3.721 -5.416 1.00 0.02 O ATOM 615 CB ARG A 40 17.588 -3.183 -7.924 1.00 0.01 C ATOM 616 CG ARG A 40 17.477 -4.408 -8.835 1.00 0.02 C ATOM 617 CD ARG A 40 18.868 -4.996 -9.079 1.00 0.02 C ATOM 618 NE ARG A 40 18.798 -5.976 -10.199 1.00 0.02 N ATOM 619 CZ ARG A 40 19.894 -6.378 -10.781 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.049 -5.915 -10.389 1.00 0.02 N ATOM 621 NH2 ARG A 40 19.833 -7.241 -11.757 1.00 0.02 N ATOM 0 H ARG A 40 16.716 -1.247 -6.081 1.00 0.02 H new ATOM 0 HA ARG A 40 15.592 -2.661 -8.479 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.149 -2.394 -8.425 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.137 -3.439 -7.018 1.00 0.01 H new ATOM 0 HG2 ARG A 40 16.830 -5.156 -8.377 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.018 -4.128 -9.783 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.574 -4.201 -9.319 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.233 -5.484 -8.175 1.00 0.02 H new ATOM 0 HE ARG A 40 17.894 -6.332 -10.510 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.095 -5.238 -9.627 1.00 0.02 H new ATOM 0 HH12 ARG A 40 21.906 -6.230 -10.844 1.00 0.02 H new ATOM 0 HH21 ARG A 40 18.929 -7.601 -12.064 1.00 0.02 H new ATOM 0 HH22 ARG A 40 20.689 -7.556 -12.213 1.00 0.02 H new ATOM 635 N VAL A 41 14.527 -4.337 -6.874 1.00 0.02 N ATOM 636 CA VAL A 41 13.922 -5.305 -5.911 1.00 0.01 C ATOM 637 C VAL A 41 14.334 -6.697 -6.370 1.00 0.02 C ATOM 638 O VAL A 41 13.962 -7.137 -7.438 1.00 0.02 O ATOM 639 CB VAL A 41 12.402 -5.161 -5.897 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.830 -6.024 -4.770 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.042 -3.697 -5.632 1.00 0.00 C ATOM 0 H VAL A 41 14.073 -4.294 -7.786 1.00 0.02 H new ATOM 0 HA VAL A 41 14.269 -5.119 -4.895 1.00 0.01 H new ATOM 0 HB VAL A 41 11.991 -5.478 -6.855 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.744 -5.927 -4.753 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.099 -7.067 -4.938 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.239 -5.693 -3.815 1.00 0.02 H new ATOM 0 HG21 VAL A 41 10.958 -3.585 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.449 -3.391 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.463 -3.071 -6.419 1.00 0.00 H new ATOM 651 N GLU A 42 15.127 -7.381 -5.585 1.00 0.01 N ATOM 652 CA GLU A 42 15.601 -8.733 -5.995 1.00 0.01 C ATOM 653 C GLU A 42 14.571 -9.788 -5.616 1.00 0.02 C ATOM 654 O GLU A 42 14.403 -10.767 -6.313 1.00 0.01 O ATOM 655 CB GLU A 42 16.934 -9.043 -5.307 1.00 0.99 C ATOM 656 CG GLU A 42 17.835 -7.808 -5.353 1.00 1.86 C ATOM 657 CD GLU A 42 19.253 -8.195 -4.930 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.466 -9.359 -4.635 1.00 3.67 O ATOM 659 OE2 GLU A 42 20.102 -7.318 -4.910 1.00 3.81 O ATOM 0 H GLU A 42 15.466 -7.060 -4.678 1.00 0.01 H new ATOM 0 HA GLU A 42 15.739 -8.746 -7.076 1.00 0.01 H new ATOM 0 HB2 GLU A 42 16.760 -9.341 -4.273 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.424 -9.882 -5.802 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.846 -7.390 -6.360 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.445 -7.035 -4.691 1.00 1.86 H new ATOM 666 N GLY A 43 13.882 -9.626 -4.520 1.00 0.01 N ATOM 667 CA GLY A 43 12.889 -10.671 -4.148 1.00 0.02 C ATOM 668 C GLY A 43 11.912 -10.141 -3.107 1.00 0.02 C ATOM 669 O GLY A 43 12.261 -9.313 -2.289 1.00 0.02 O ATOM 0 H GLY A 43 13.960 -8.836 -3.880 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.343 -10.993 -5.035 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.406 -11.547 -3.756 1.00 0.02 H new ATOM 673 N GLY A 44 10.703 -10.637 -3.114 1.00 0.00 N ATOM 674 CA GLY A 44 9.702 -10.181 -2.110 1.00 0.01 C ATOM 675 C GLY A 44 9.009 -8.905 -2.597 1.00 0.01 C ATOM 676 O GLY A 44 9.402 -8.304 -3.577 1.00 0.01 O ATOM 0 H GLY A 44 10.367 -11.339 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.962 -10.964 -1.942 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.193 -9.995 -1.155 1.00 0.01 H new ATOM 680 N THR A 45 7.997 -8.476 -1.886 1.00 0.01 N ATOM 681 CA THR A 45 7.270 -7.217 -2.248 1.00 0.00 C ATOM 682 C THR A 45 7.429 -6.244 -1.082 1.00 0.01 C ATOM 683 O THR A 45 7.334 -6.638 0.062 1.00 0.01 O ATOM 684 CB THR A 45 5.783 -7.537 -2.455 1.00 0.73 C ATOM 685 OG1 THR A 45 5.632 -8.345 -3.614 1.00 0.88 O ATOM 686 CG2 THR A 45 4.981 -6.243 -2.626 1.00 1.48 C ATOM 0 H THR A 45 7.637 -8.950 -1.058 1.00 0.01 H new ATOM 0 HA THR A 45 7.670 -6.783 -3.165 1.00 0.00 H new ATOM 0 HB THR A 45 5.409 -8.071 -1.581 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.683 -8.552 -3.747 1.00 0.88 H new ATOM 0 HG21 THR A 45 3.928 -6.484 -2.772 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.092 -5.626 -1.734 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.352 -5.697 -3.493 1.00 1.48 H new ATOM 694 N TRP A 46 7.749 -4.997 -1.342 1.00 0.02 N ATOM 695 CA TRP A 46 7.992 -4.034 -0.214 1.00 0.01 C ATOM 696 C TRP A 46 7.140 -2.769 -0.336 1.00 0.01 C ATOM 697 O TRP A 46 6.768 -2.330 -1.407 1.00 0.01 O ATOM 698 CB TRP A 46 9.466 -3.629 -0.230 1.00 0.00 C ATOM 699 CG TRP A 46 10.316 -4.826 0.045 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.503 -5.861 -0.806 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.097 -5.130 1.237 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.348 -6.781 -0.213 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.741 -6.375 1.047 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.307 -4.453 2.452 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.565 -6.929 2.028 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.134 -5.008 3.441 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.762 -6.244 3.229 1.00 0.01 C ATOM 0 H TRP A 46 7.852 -4.605 -2.278 1.00 0.02 H new ATOM 0 HA TRP A 46 7.720 -4.533 0.716 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.726 -3.200 -1.198 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.650 -2.859 0.519 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.064 -5.954 -1.788 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.645 -7.652 -0.652 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.829 -3.500 2.625 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.047 -7.881 1.859 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.288 -4.480 4.371 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.397 -6.666 3.994 1.00 0.01 H new ATOM 718 N ALA A 47 6.901 -2.156 0.792 1.00 0.01 N ATOM 719 CA ALA A 47 6.153 -0.868 0.846 1.00 0.01 C ATOM 720 C ALA A 47 7.193 0.183 1.229 1.00 0.01 C ATOM 721 O ALA A 47 7.967 -0.012 2.146 1.00 0.01 O ATOM 722 CB ALA A 47 5.045 -0.943 1.901 1.00 0.24 C ATOM 0 H ALA A 47 7.202 -2.505 1.702 1.00 0.01 H new ATOM 0 HA ALA A 47 5.671 -0.632 -0.102 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.506 0.004 1.931 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.354 -1.746 1.646 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.486 -1.140 2.878 1.00 0.24 H new ATOM 728 N VAL A 48 7.205 1.303 0.549 1.00 0.01 N ATOM 729 CA VAL A 48 8.186 2.388 0.882 1.00 0.02 C ATOM 730 C VAL A 48 7.428 3.633 1.332 1.00 0.01 C ATOM 731 O VAL A 48 6.377 3.942 0.806 1.00 0.01 O ATOM 732 CB VAL A 48 9.040 2.716 -0.342 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.897 1.502 -0.705 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.126 3.064 -1.519 1.00 0.65 C ATOM 0 H VAL A 48 6.576 1.515 -0.226 1.00 0.01 H new ATOM 0 HA VAL A 48 8.839 2.049 1.686 1.00 0.02 H new ATOM 0 HB VAL A 48 9.687 3.564 -0.119 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.507 1.735 -1.578 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.546 1.251 0.134 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.250 0.654 -0.930 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.733 3.299 -2.394 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.481 2.214 -1.742 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.513 3.927 -1.261 1.00 0.65 H new ATOM 744 N TYR A 49 7.952 4.348 2.303 1.00 0.01 N ATOM 745 CA TYR A 49 7.262 5.580 2.804 1.00 0.01 C ATOM 746 C TYR A 49 8.182 6.786 2.632 1.00 0.01 C ATOM 747 O TYR A 49 9.392 6.701 2.762 1.00 0.02 O ATOM 748 CB TYR A 49 6.913 5.403 4.282 1.00 0.01 C ATOM 749 CG TYR A 49 5.779 4.411 4.413 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.012 3.049 4.185 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.496 4.851 4.766 1.00 0.01 C ATOM 752 CE1 TYR A 49 4.965 2.129 4.308 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.450 3.931 4.890 1.00 0.01 C ATOM 754 CZ TYR A 49 3.684 2.569 4.661 1.00 0.02 C ATOM 755 OH TYR A 49 2.652 1.661 4.782 1.00 0.01 O ATOM 0 H TYR A 49 8.832 4.129 2.771 1.00 0.01 H new ATOM 0 HA TYR A 49 6.347 5.742 2.234 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.785 5.051 4.834 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.626 6.360 4.717 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.000 2.709 3.914 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.315 5.901 4.942 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.145 1.079 4.131 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.462 4.271 5.162 1.00 0.01 H new ATOM 0 HH TYR A 49 1.830 2.132 5.034 1.00 0.01 H new ATOM 765 N GLU A 50 7.590 7.902 2.297 1.00 0.01 N ATOM 766 CA GLU A 50 8.366 9.147 2.043 1.00 0.01 C ATOM 767 C GLU A 50 9.065 9.644 3.309 1.00 0.01 C ATOM 768 O GLU A 50 10.132 10.218 3.230 1.00 0.02 O ATOM 769 CB GLU A 50 7.400 10.223 1.546 1.00 0.02 C ATOM 770 CG GLU A 50 8.194 11.396 0.967 1.00 0.01 C ATOM 771 CD GLU A 50 7.233 12.523 0.581 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.949 13.349 1.433 1.00 0.01 O ATOM 773 OE2 GLU A 50 6.800 12.541 -0.558 1.00 0.02 O ATOM 0 H GLU A 50 6.581 8.003 2.187 1.00 0.01 H new ATOM 0 HA GLU A 50 9.134 8.934 1.300 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.737 9.809 0.786 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.769 10.567 2.366 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.917 11.755 1.699 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.759 11.070 0.094 1.00 0.01 H new ATOM 780 N ARG A 51 8.477 9.460 4.471 1.00 0.02 N ATOM 781 CA ARG A 51 9.125 9.962 5.732 1.00 0.02 C ATOM 782 C ARG A 51 9.287 8.794 6.727 1.00 0.01 C ATOM 783 O ARG A 51 8.583 7.803 6.636 1.00 0.02 O ATOM 784 CB ARG A 51 8.206 11.048 6.340 1.00 0.02 C ATOM 785 CG ARG A 51 8.655 12.441 5.882 1.00 0.01 C ATOM 786 CD ARG A 51 7.631 13.482 6.338 1.00 0.02 C ATOM 787 NE ARG A 51 7.561 13.495 7.826 1.00 0.02 N ATOM 788 CZ ARG A 51 6.987 14.491 8.444 1.00 0.02 C ATOM 789 NH1 ARG A 51 6.475 15.476 7.759 1.00 0.02 N ATOM 790 NH2 ARG A 51 6.925 14.502 9.747 1.00 0.01 N ATOM 0 H ARG A 51 7.583 8.987 4.602 1.00 0.02 H new ATOM 0 HA ARG A 51 10.110 10.378 5.519 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.174 10.873 6.036 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.232 10.989 7.428 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.636 12.674 6.297 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.755 12.464 4.797 1.00 0.01 H new ATOM 0 HD2 ARG A 51 7.911 14.468 5.968 1.00 0.02 H new ATOM 0 HD3 ARG A 51 6.651 13.251 5.920 1.00 0.02 H new ATOM 0 HE ARG A 51 7.962 12.725 8.362 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.523 15.468 6.740 1.00 0.02 H new ATOM 0 HH12 ARG A 51 6.026 16.254 8.242 1.00 0.02 H new ATOM 0 HH21 ARG A 51 7.325 13.732 10.283 1.00 0.01 H new ATOM 0 HH22 ARG A 51 6.476 15.281 10.230 1.00 0.01 H new ATOM 804 N PRO A 52 10.210 8.914 7.672 1.00 0.02 N ATOM 805 CA PRO A 52 10.447 7.836 8.677 1.00 0.02 C ATOM 806 C PRO A 52 9.167 7.413 9.404 1.00 0.01 C ATOM 807 O PRO A 52 8.151 8.080 9.369 1.00 0.02 O ATOM 808 CB PRO A 52 11.460 8.486 9.647 1.00 0.02 C ATOM 809 CG PRO A 52 11.699 9.941 9.199 1.00 0.01 C ATOM 810 CD PRO A 52 11.079 10.122 7.806 1.00 0.01 C ATOM 0 HA PRO A 52 10.808 6.914 8.221 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.077 8.462 10.667 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.397 7.930 9.645 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.249 10.636 9.908 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.766 10.160 9.171 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.503 11.045 7.736 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.840 10.162 7.026 1.00 0.01 H new ATOM 818 N ASN A 53 9.255 6.308 10.092 1.00 0.02 N ATOM 819 CA ASN A 53 8.103 5.796 10.884 1.00 0.02 C ATOM 820 C ASN A 53 6.921 5.451 9.977 1.00 0.01 C ATOM 821 O ASN A 53 5.772 5.624 10.331 1.00 0.01 O ATOM 822 CB ASN A 53 7.685 6.857 11.908 1.00 0.01 C ATOM 823 CG ASN A 53 6.835 6.211 13.004 1.00 0.02 C ATOM 824 OD1 ASN A 53 5.708 6.605 13.226 1.00 0.02 O ATOM 825 ND2 ASN A 53 7.332 5.226 13.703 1.00 0.01 N ATOM 0 H ASN A 53 10.093 5.728 10.139 1.00 0.02 H new ATOM 0 HA ASN A 53 8.409 4.885 11.398 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.569 7.321 12.346 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.120 7.649 11.416 1.00 0.01 H new ATOM 0 HD21 ASN A 53 6.773 4.788 14.435 1.00 0.01 H new ATOM 0 HD22 ASN A 53 8.279 4.895 13.517 1.00 0.01 H new ATOM 832 N PHE A 54 7.209 4.935 8.811 1.00 0.02 N ATOM 833 CA PHE A 54 6.131 4.536 7.864 1.00 0.01 C ATOM 834 C PHE A 54 5.059 5.626 7.767 1.00 0.01 C ATOM 835 O PHE A 54 3.879 5.373 7.909 1.00 0.02 O ATOM 836 CB PHE A 54 5.504 3.221 8.347 1.00 1.78 C ATOM 837 CG PHE A 54 6.574 2.351 8.966 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.738 2.057 8.245 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.406 1.840 10.262 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.733 1.254 8.816 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.401 1.038 10.832 1.00 3.32 C ATOM 842 CZ PHE A 54 8.565 0.744 10.110 1.00 3.39 C ATOM 0 H PHE A 54 8.157 4.772 8.472 1.00 0.02 H new ATOM 0 HA PHE A 54 6.561 4.399 6.872 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.720 3.426 9.076 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.035 2.701 7.512 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.868 2.450 7.248 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.509 2.066 10.819 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.630 1.028 8.259 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.271 0.645 11.830 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.332 0.125 10.551 1.00 3.39 H new ATOM 852 N SER A 55 5.485 6.842 7.518 1.00 0.02 N ATOM 853 CA SER A 55 4.522 7.988 7.399 1.00 0.02 C ATOM 854 C SER A 55 4.733 8.711 6.062 1.00 0.01 C ATOM 855 O SER A 55 5.739 8.538 5.400 1.00 0.01 O ATOM 856 CB SER A 55 4.764 8.970 8.547 1.00 1.90 C ATOM 857 OG SER A 55 5.988 9.660 8.325 1.00 2.33 O ATOM 0 H SER A 55 6.465 7.093 7.391 1.00 0.02 H new ATOM 0 HA SER A 55 3.502 7.607 7.444 1.00 0.02 H new ATOM 0 HB2 SER A 55 3.940 9.680 8.613 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.801 8.436 9.496 1.00 1.90 H new ATOM 0 HG SER A 55 6.732 9.129 8.679 1.00 2.33 H new ATOM 863 N GLY A 56 3.779 9.511 5.652 1.00 0.02 N ATOM 864 CA GLY A 56 3.903 10.238 4.352 1.00 0.02 C ATOM 865 C GLY A 56 3.346 9.371 3.217 1.00 0.02 C ATOM 866 O GLY A 56 2.588 8.450 3.448 1.00 0.00 O ATOM 0 H GLY A 56 2.916 9.692 6.165 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.361 11.183 4.400 1.00 0.02 H new ATOM 0 HA3 GLY A 56 4.948 10.480 4.158 1.00 0.02 H new ATOM 870 N HIS A 57 3.695 9.665 1.993 1.00 0.02 N ATOM 871 CA HIS A 57 3.158 8.864 0.852 1.00 0.02 C ATOM 872 C HIS A 57 3.674 7.427 0.928 1.00 0.01 C ATOM 873 O HIS A 57 4.827 7.196 1.233 1.00 0.01 O ATOM 874 CB HIS A 57 3.603 9.496 -0.468 1.00 0.00 C ATOM 875 CG HIS A 57 3.198 10.944 -0.493 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.636 12.032 0.222 1.00 0.01 N flip ATOM 877 CD2 HIS A 57 2.210 11.421 -1.340 1.00 0.01 C flip ATOM 878 CE1 HIS A 57 2.934 13.167 -0.175 1.00 0.02 C flip ATOM 879 NE2 HIS A 57 2.089 12.742 -1.118 1.00 0.01 N flip ATOM 0 H HIS A 57 4.327 10.423 1.733 1.00 0.02 H new ATOM 0 HA HIS A 57 2.069 8.854 0.907 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.684 9.408 -0.580 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.152 8.967 -1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.641 10.838 -2.049 1.00 0.01 H new ATOM 0 HE1 HIS A 57 3.048 14.174 0.199 1.00 0.02 H new ATOM 0 HE2 HIS A 57 1.431 13.346 -1.610 1.00 0.01 H new ATOM 887 N MET A 58 2.824 6.463 0.641 1.00 0.02 N ATOM 888 CA MET A 58 3.245 5.022 0.683 1.00 0.02 C ATOM 889 C MET A 58 3.084 4.397 -0.711 1.00 0.01 C ATOM 890 O MET A 58 2.102 4.618 -1.391 1.00 0.01 O ATOM 891 CB MET A 58 2.361 4.267 1.679 1.00 2.61 C ATOM 892 CG MET A 58 0.917 4.254 1.173 1.00 3.46 C ATOM 893 SD MET A 58 -0.184 3.708 2.502 1.00 4.50 S ATOM 894 CE MET A 58 -0.002 1.928 2.232 1.00 5.01 C ATOM 0 H MET A 58 1.850 6.615 0.378 1.00 0.02 H new ATOM 0 HA MET A 58 4.288 4.958 0.992 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.723 3.246 1.802 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.410 4.743 2.658 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.630 5.250 0.835 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.827 3.588 0.315 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.609 1.386 2.958 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.332 1.677 1.224 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.044 1.647 2.352 1.00 5.01 H new ATOM 904 N TYR A 59 4.049 3.620 -1.136 1.00 0.02 N ATOM 905 CA TYR A 59 3.985 2.965 -2.487 1.00 0.01 C ATOM 906 C TYR A 59 4.381 1.488 -2.371 1.00 0.01 C ATOM 907 O TYR A 59 5.308 1.131 -1.671 1.00 0.02 O ATOM 908 CB TYR A 59 4.961 3.658 -3.437 1.00 0.01 C ATOM 909 CG TYR A 59 4.499 5.070 -3.700 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.583 5.326 -4.725 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.992 6.124 -2.922 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.158 6.637 -4.974 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.568 7.435 -3.170 1.00 0.01 C ATOM 914 CZ TYR A 59 3.651 7.690 -4.197 1.00 0.01 C ATOM 915 OH TYR A 59 3.233 8.983 -4.441 1.00 0.01 O ATOM 0 H TYR A 59 4.890 3.407 -0.600 1.00 0.02 H new ATOM 0 HA TYR A 59 2.967 3.045 -2.869 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.961 3.667 -3.003 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.025 3.106 -4.374 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.203 4.512 -5.325 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.699 5.926 -2.130 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.450 6.835 -5.765 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.948 8.249 -2.570 1.00 0.01 H new ATOM 0 HH TYR A 59 3.671 9.593 -3.811 1.00 0.01 H new ATOM 925 N ILE A 60 3.675 0.626 -3.067 1.00 0.02 N ATOM 926 CA ILE A 60 3.984 -0.839 -3.032 1.00 0.01 C ATOM 927 C ILE A 60 4.890 -1.188 -4.221 1.00 0.01 C ATOM 928 O ILE A 60 4.617 -0.808 -5.343 1.00 0.01 O ATOM 929 CB ILE A 60 2.680 -1.642 -3.151 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.600 -1.071 -2.208 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.948 -3.108 -2.812 1.00 1.21 C ATOM 932 CD1 ILE A 60 1.989 -1.256 -0.733 1.00 1.72 C ATOM 0 H ILE A 60 2.888 0.880 -3.665 1.00 0.02 H new ATOM 0 HA ILE A 60 4.482 -1.083 -2.094 1.00 0.01 H new ATOM 0 HB ILE A 60 2.315 -1.567 -4.175 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.455 -0.011 -2.418 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.648 -1.567 -2.400 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.022 -3.676 -2.897 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.687 -3.512 -3.504 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.327 -3.182 -1.793 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.207 -0.843 -0.096 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.109 -2.318 -0.519 1.00 1.72 H new ATOM 0 HD13 ILE A 60 2.928 -0.738 -0.537 1.00 1.72 H new ATOM 944 N LEU A 61 5.977 -1.890 -3.982 1.00 0.01 N ATOM 945 CA LEU A 61 6.923 -2.244 -5.097 1.00 0.01 C ATOM 946 C LEU A 61 7.081 -3.785 -5.213 1.00 0.01 C ATOM 947 O LEU A 61 7.686 -4.398 -4.354 1.00 0.00 O ATOM 948 CB LEU A 61 8.304 -1.618 -4.773 1.00 0.01 C ATOM 949 CG LEU A 61 8.483 -0.271 -5.502 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.782 0.390 -5.023 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.545 -0.490 -7.034 1.00 0.01 C ATOM 0 H LEU A 61 6.251 -2.234 -3.062 1.00 0.01 H new ATOM 0 HA LEU A 61 6.531 -1.864 -6.040 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.397 -1.469 -3.697 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.097 -2.304 -5.069 1.00 0.01 H new ATOM 0 HG LEU A 61 7.633 0.373 -5.277 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.915 1.343 -5.534 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.729 0.559 -3.948 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.626 -0.263 -5.246 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.671 0.470 -7.534 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.387 -1.138 -7.275 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.620 -0.956 -7.373 1.00 0.01 H new ATOM 963 N PRO A 62 6.588 -4.423 -6.270 1.00 0.02 N ATOM 964 CA PRO A 62 6.779 -5.893 -6.422 1.00 0.01 C ATOM 965 C PRO A 62 8.204 -6.201 -6.909 1.00 0.00 C ATOM 966 O PRO A 62 8.941 -5.312 -7.287 1.00 0.02 O ATOM 967 CB PRO A 62 5.729 -6.253 -7.481 1.00 1.47 C ATOM 968 CG PRO A 62 5.336 -4.957 -8.212 1.00 1.29 C ATOM 969 CD PRO A 62 5.813 -3.762 -7.364 1.00 0.82 C ATOM 0 HA PRO A 62 6.662 -6.457 -5.497 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.130 -6.982 -8.185 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.856 -6.708 -7.014 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.791 -4.926 -9.202 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.256 -4.914 -8.356 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.433 -3.077 -7.942 1.00 0.82 H new ATOM 0 HD3 PRO A 62 4.976 -3.183 -6.974 1.00 0.82 H new ATOM 977 N GLN A 63 8.603 -7.445 -6.900 1.00 0.02 N ATOM 978 CA GLN A 63 9.980 -7.795 -7.355 1.00 0.00 C ATOM 979 C GLN A 63 10.245 -7.231 -8.756 1.00 0.00 C ATOM 980 O GLN A 63 9.381 -7.246 -9.609 1.00 0.02 O ATOM 981 CB GLN A 63 10.119 -9.319 -7.390 1.00 1.27 C ATOM 982 CG GLN A 63 8.899 -9.929 -8.081 1.00 1.67 C ATOM 983 CD GLN A 63 9.106 -11.433 -8.253 1.00 2.43 C ATOM 984 OE1 GLN A 63 8.929 -11.962 -9.331 1.00 4.25 O ATOM 985 NE2 GLN A 63 9.475 -12.149 -7.228 1.00 3.04 N ATOM 0 H GLN A 63 8.034 -8.235 -6.597 1.00 0.02 H new ATOM 0 HA GLN A 63 10.703 -7.364 -6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.029 -9.599 -7.921 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.209 -9.710 -6.376 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.002 -9.740 -7.491 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.746 -9.459 -9.053 1.00 1.67 H new ATOM 0 HE21 GLN A 63 9.624 -11.704 -6.322 1.00 3.04 H new ATOM 0 HE22 GLN A 63 9.615 -13.154 -7.332 1.00 3.04 H new ATOM 994 N GLY A 64 11.435 -6.743 -9.012 1.00 0.02 N ATOM 995 CA GLY A 64 11.730 -6.198 -10.372 1.00 0.01 C ATOM 996 C GLY A 64 12.851 -5.155 -10.306 1.00 0.02 C ATOM 997 O GLY A 64 13.419 -4.891 -9.264 1.00 0.02 O ATOM 0 H GLY A 64 12.206 -6.699 -8.346 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.020 -7.009 -11.039 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.831 -5.747 -10.791 1.00 0.01 H new ATOM 1001 N GLU A 65 13.172 -4.559 -11.427 1.00 0.02 N ATOM 1002 CA GLU A 65 14.257 -3.526 -11.471 1.00 0.02 C ATOM 1003 C GLU A 65 13.677 -2.185 -11.922 1.00 0.02 C ATOM 1004 O GLU A 65 12.994 -2.090 -12.923 1.00 0.02 O ATOM 1005 CB GLU A 65 15.325 -3.970 -12.473 1.00 0.77 C ATOM 1006 CG GLU A 65 16.404 -2.890 -12.584 1.00 0.49 C ATOM 1007 CD GLU A 65 17.631 -3.464 -13.295 1.00 0.67 C ATOM 1008 OE1 GLU A 65 18.102 -4.508 -12.874 1.00 0.96 O ATOM 1009 OE2 GLU A 65 18.079 -2.850 -14.251 1.00 0.71 O ATOM 0 H GLU A 65 12.724 -4.745 -12.325 1.00 0.02 H new ATOM 0 HA GLU A 65 14.694 -3.416 -10.479 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.770 -4.912 -12.152 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.872 -4.148 -13.448 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.019 -2.032 -13.136 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.680 -2.533 -11.592 1.00 0.49 H new ATOM 1016 N TYR A 66 13.976 -1.141 -11.186 1.00 0.02 N ATOM 1017 CA TYR A 66 13.488 0.227 -11.539 1.00 0.02 C ATOM 1018 C TYR A 66 14.721 1.129 -11.751 1.00 0.02 C ATOM 1019 O TYR A 66 15.290 1.623 -10.792 1.00 0.02 O ATOM 1020 CB TYR A 66 12.658 0.763 -10.371 1.00 0.01 C ATOM 1021 CG TYR A 66 11.462 -0.137 -10.170 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.584 -1.299 -9.398 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.235 0.185 -10.760 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.479 -2.137 -9.217 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.129 -0.653 -10.581 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.252 -1.814 -9.809 1.00 0.02 C ATOM 1027 OH TYR A 66 8.161 -2.641 -9.633 1.00 0.01 O ATOM 0 H TYR A 66 14.547 -1.182 -10.342 1.00 0.02 H new ATOM 0 HA TYR A 66 12.877 0.206 -12.442 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.261 0.797 -9.464 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.333 1.783 -10.576 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.531 -1.548 -8.943 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.141 1.082 -11.355 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.572 -3.033 -8.621 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.182 -0.405 -11.038 1.00 0.02 H new ATOM 0 HH TYR A 66 7.389 -2.270 -10.110 1.00 0.01 H new ATOM 1037 N PRO A 67 15.166 1.334 -12.982 1.00 0.01 N ATOM 1038 CA PRO A 67 16.373 2.173 -13.226 1.00 0.02 C ATOM 1039 C PRO A 67 16.152 3.666 -12.939 1.00 0.02 C ATOM 1040 O PRO A 67 17.079 4.449 -13.003 1.00 0.02 O ATOM 1041 CB PRO A 67 16.672 1.921 -14.721 1.00 0.02 C ATOM 1042 CG PRO A 67 15.514 1.093 -15.319 1.00 0.02 C ATOM 1043 CD PRO A 67 14.519 0.751 -14.193 1.00 0.01 C ATOM 0 HA PRO A 67 17.194 1.908 -12.560 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.774 2.868 -15.252 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.616 1.388 -14.834 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.014 1.656 -16.107 1.00 0.02 H new ATOM 0 HG3 PRO A 67 15.898 0.180 -15.774 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.537 1.188 -14.376 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.375 -0.325 -14.095 1.00 0.01 H new ATOM 1051 N GLU A 68 14.956 4.076 -12.609 1.00 0.01 N ATOM 1052 CA GLU A 68 14.729 5.522 -12.310 1.00 0.01 C ATOM 1053 C GLU A 68 13.481 5.637 -11.438 1.00 0.03 C ATOM 1054 O GLU A 68 12.625 4.776 -11.428 1.00 0.02 O ATOM 1055 CB GLU A 68 14.504 6.303 -13.612 1.00 0.69 C ATOM 1056 CG GLU A 68 15.807 6.369 -14.412 1.00 1.09 C ATOM 1057 CD GLU A 68 15.680 7.428 -15.508 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.588 7.941 -15.688 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.679 7.710 -16.151 1.00 2.02 O ATOM 0 H GLU A 68 14.132 3.479 -12.534 1.00 0.01 H new ATOM 0 HA GLU A 68 15.599 5.933 -11.798 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.727 5.821 -14.205 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.154 7.310 -13.386 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.640 6.612 -13.752 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.024 5.397 -14.854 1.00 1.09 H new ATOM 1066 N TYR A 69 13.399 6.684 -10.669 1.00 0.02 N ATOM 1067 CA TYR A 69 12.244 6.841 -9.744 1.00 0.02 C ATOM 1068 C TYR A 69 10.913 6.879 -10.499 1.00 0.01 C ATOM 1069 O TYR A 69 9.924 6.329 -10.056 1.00 0.01 O ATOM 1070 CB TYR A 69 12.432 8.097 -8.886 1.00 0.02 C ATOM 1071 CG TYR A 69 12.386 9.337 -9.754 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.502 9.701 -10.517 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.230 10.128 -9.784 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.462 10.854 -11.311 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.190 11.282 -10.579 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.307 11.644 -11.342 1.00 0.02 C ATOM 1077 OH TYR A 69 12.270 12.780 -12.127 1.00 0.01 O ATOM 0 H TYR A 69 14.083 7.440 -10.641 1.00 0.02 H new ATOM 0 HA TYR A 69 12.209 5.970 -9.090 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.652 8.147 -8.126 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.386 8.048 -8.361 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.394 9.093 -10.493 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.369 9.849 -9.194 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.323 11.134 -11.900 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.299 11.891 -10.603 1.00 0.02 H new ATOM 0 HH TYR A 69 11.395 13.213 -12.035 1.00 0.01 H new ATOM 1087 N GLN A 70 10.878 7.517 -11.637 1.00 0.01 N ATOM 1088 CA GLN A 70 9.614 7.583 -12.427 1.00 0.02 C ATOM 1089 C GLN A 70 9.145 6.169 -12.797 1.00 0.01 C ATOM 1090 O GLN A 70 7.977 5.931 -13.030 1.00 0.02 O ATOM 1091 CB GLN A 70 9.863 8.374 -13.714 1.00 0.01 C ATOM 1092 CG GLN A 70 10.398 9.767 -13.373 1.00 0.01 C ATOM 1093 CD GLN A 70 9.266 10.628 -12.813 1.00 0.02 C ATOM 1094 OE1 GLN A 70 8.825 10.424 -11.699 1.00 0.01 O ATOM 1095 NE2 GLN A 70 8.771 11.588 -13.544 1.00 0.02 N ATOM 0 H GLN A 70 11.674 7.998 -12.056 1.00 0.01 H new ATOM 0 HA GLN A 70 8.847 8.072 -11.826 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.578 7.845 -14.344 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.938 8.460 -14.284 1.00 0.01 H new ATOM 0 HG2 GLN A 70 11.204 9.689 -12.644 1.00 0.01 H new ATOM 0 HG3 GLN A 70 10.818 10.235 -14.264 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.141 11.760 -14.479 1.00 0.02 H new ATOM 0 HE22 GLN A 70 8.014 12.167 -13.181 1.00 0.02 H new ATOM 1104 N ARG A 71 10.056 5.229 -12.845 1.00 0.01 N ATOM 1105 CA ARG A 71 9.666 3.831 -13.194 1.00 0.02 C ATOM 1106 C ARG A 71 8.858 3.240 -12.039 1.00 0.01 C ATOM 1107 O ARG A 71 8.149 2.265 -12.188 1.00 0.02 O ATOM 1108 CB ARG A 71 10.922 2.983 -13.441 1.00 0.34 C ATOM 1109 CG ARG A 71 10.553 1.691 -14.210 1.00 0.72 C ATOM 1110 CD ARG A 71 10.623 1.918 -15.730 1.00 1.04 C ATOM 1111 NE ARG A 71 9.481 2.768 -16.167 1.00 1.67 N ATOM 1112 CZ ARG A 71 9.504 3.340 -17.339 1.00 2.47 C ATOM 1113 NH1 ARG A 71 10.533 3.175 -18.126 1.00 2.54 N ATOM 1114 NH2 ARG A 71 8.499 4.078 -17.726 1.00 3.42 N ATOM 0 H ARG A 71 11.049 5.370 -12.658 1.00 0.01 H new ATOM 0 HA ARG A 71 9.063 3.834 -14.102 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.652 3.558 -14.011 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.390 2.728 -12.490 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.233 0.888 -13.927 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.549 1.372 -13.932 1.00 0.72 H new ATOM 0 HD2 ARG A 71 11.566 2.398 -15.992 1.00 1.04 H new ATOM 0 HD3 ARG A 71 10.596 0.961 -16.251 1.00 1.04 H new ATOM 0 HE ARG A 71 8.680 2.903 -15.550 1.00 1.67 H new ATOM 0 HH11 ARG A 71 11.319 2.599 -17.824 1.00 2.54 H new ATOM 0 HH12 ARG A 71 10.551 3.622 -19.043 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.695 4.208 -17.112 1.00 3.42 H new ATOM 0 HH22 ARG A 71 8.518 4.525 -18.643 1.00 3.42 H new ATOM 1128 N TRP A 72 8.975 3.840 -10.885 1.00 0.02 N ATOM 1129 CA TRP A 72 8.242 3.362 -9.676 1.00 0.01 C ATOM 1130 C TRP A 72 7.135 4.380 -9.371 1.00 0.01 C ATOM 1131 O TRP A 72 6.492 4.342 -8.341 1.00 0.02 O ATOM 1132 CB TRP A 72 9.274 3.254 -8.529 1.00 0.02 C ATOM 1133 CG TRP A 72 8.670 3.534 -7.188 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.694 2.809 -6.599 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.010 4.601 -6.256 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.409 3.367 -5.363 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.196 4.475 -5.109 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.937 5.657 -6.300 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.297 5.365 -4.040 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.044 6.555 -5.228 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.224 6.410 -4.099 1.00 0.02 C ATOM 0 H TRP A 72 9.561 4.660 -10.726 1.00 0.02 H new ATOM 0 HA TRP A 72 7.776 2.387 -9.815 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.708 2.254 -8.527 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.089 3.954 -8.710 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.215 1.938 -7.022 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.705 3.005 -4.720 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.571 5.778 -7.166 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.664 5.248 -3.173 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.761 7.362 -5.272 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.309 7.105 -3.276 1.00 0.02 H new ATOM 1152 N MET A 73 6.917 5.289 -10.282 1.00 0.02 N ATOM 1153 CA MET A 73 5.862 6.328 -10.095 1.00 0.02 C ATOM 1154 C MET A 73 6.158 7.181 -8.853 1.00 0.01 C ATOM 1155 O MET A 73 5.279 7.796 -8.281 1.00 0.02 O ATOM 1156 CB MET A 73 4.494 5.657 -9.941 1.00 0.02 C ATOM 1157 CG MET A 73 4.335 4.557 -10.995 1.00 0.01 C ATOM 1158 SD MET A 73 4.634 5.248 -12.641 1.00 0.01 S ATOM 1159 CE MET A 73 3.572 4.108 -13.562 1.00 0.01 C ATOM 0 H MET A 73 7.432 5.357 -11.160 1.00 0.02 H new ATOM 0 HA MET A 73 5.855 6.975 -10.972 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.397 5.233 -8.942 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.701 6.397 -10.051 1.00 0.02 H new ATOM 0 HG2 MET A 73 5.035 3.745 -10.797 1.00 0.01 H new ATOM 0 HG3 MET A 73 3.332 4.132 -10.944 1.00 0.01 H new ATOM 0 HE1 MET A 73 3.606 4.356 -14.623 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.923 3.086 -13.417 1.00 0.01 H new ATOM 0 HE3 MET A 73 2.547 4.194 -13.202 1.00 0.01 H new ATOM 1169 N GLY A 74 7.398 7.217 -8.437 1.00 0.02 N ATOM 1170 CA GLY A 74 7.761 8.022 -7.239 1.00 0.02 C ATOM 1171 C GLY A 74 7.400 9.486 -7.484 1.00 0.01 C ATOM 1172 O GLY A 74 7.554 9.995 -8.577 1.00 0.01 O ATOM 0 H GLY A 74 8.173 6.722 -8.878 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.233 7.648 -6.362 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.827 7.928 -7.033 1.00 0.02 H new ATOM 1176 N LEU A 75 6.961 10.183 -6.471 1.00 0.02 N ATOM 1177 CA LEU A 75 6.644 11.627 -6.655 1.00 0.02 C ATOM 1178 C LEU A 75 7.971 12.399 -6.632 1.00 0.01 C ATOM 1179 O LEU A 75 8.131 13.407 -7.290 1.00 0.02 O ATOM 1180 CB LEU A 75 5.724 12.101 -5.522 1.00 0.55 C ATOM 1181 CG LEU A 75 5.544 13.625 -5.580 1.00 0.58 C ATOM 1182 CD1 LEU A 75 5.064 14.047 -6.975 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.508 14.044 -4.534 1.00 0.42 C ATOM 0 H LEU A 75 6.809 9.818 -5.531 1.00 0.02 H new ATOM 0 HA LEU A 75 6.129 11.797 -7.601 1.00 0.02 H new ATOM 0 HB2 LEU A 75 4.754 11.611 -5.604 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.146 11.815 -4.559 1.00 0.55 H new ATOM 0 HG LEU A 75 6.498 14.110 -5.374 1.00 0.58 H new ATOM 0 HD11 LEU A 75 4.940 15.129 -7.005 1.00 0.98 H new ATOM 0 HD12 LEU A 75 5.801 13.746 -7.720 1.00 0.98 H new ATOM 0 HD13 LEU A 75 4.110 13.566 -7.193 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.374 15.125 -4.568 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.558 13.553 -4.746 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.854 13.752 -3.542 1.00 0.42 H new ATOM 1195 N ASN A 76 8.932 11.903 -5.894 1.00 0.01 N ATOM 1196 CA ASN A 76 10.274 12.538 -5.814 1.00 0.02 C ATOM 1197 C ASN A 76 11.248 11.444 -5.371 1.00 0.02 C ATOM 1198 O ASN A 76 10.885 10.286 -5.316 1.00 0.02 O ATOM 1199 CB ASN A 76 10.256 13.681 -4.795 1.00 0.02 C ATOM 1200 CG ASN A 76 11.513 14.534 -4.965 1.00 0.02 C ATOM 1201 OD1 ASN A 76 12.203 14.821 -4.006 1.00 0.01 O ATOM 1202 ND2 ASN A 76 11.843 14.956 -6.156 1.00 0.02 N ATOM 0 H ASN A 76 8.834 11.059 -5.329 1.00 0.01 H new ATOM 0 HA ASN A 76 10.570 12.960 -6.774 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.366 14.294 -4.936 1.00 0.02 H new ATOM 0 HB3 ASN A 76 10.210 13.279 -3.783 1.00 0.02 H new ATOM 0 HD21 ASN A 76 12.679 15.526 -6.281 1.00 0.02 H new ATOM 0 HD22 ASN A 76 11.264 14.715 -6.961 1.00 0.02 H new ATOM 1209 N ASP A 77 12.477 11.772 -5.065 1.00 0.01 N ATOM 1210 CA ASP A 77 13.449 10.710 -4.644 1.00 0.01 C ATOM 1211 C ASP A 77 13.562 10.651 -3.116 1.00 0.01 C ATOM 1212 O ASP A 77 14.598 10.298 -2.588 1.00 0.01 O ATOM 1213 CB ASP A 77 14.826 11.038 -5.228 1.00 0.01 C ATOM 1214 CG ASP A 77 15.135 12.520 -5.004 1.00 0.01 C ATOM 1215 OD1 ASP A 77 15.588 12.853 -3.921 1.00 0.01 O ATOM 1216 OD2 ASP A 77 14.914 13.294 -5.920 1.00 0.02 O ATOM 0 H ASP A 77 12.851 12.721 -5.087 1.00 0.01 H new ATOM 0 HA ASP A 77 13.095 9.746 -5.009 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.590 10.421 -4.755 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.845 10.808 -6.293 1.00 0.01 H new ATOM 1221 N ARG A 78 12.525 11.009 -2.395 1.00 0.01 N ATOM 1222 CA ARG A 78 12.606 10.988 -0.896 1.00 0.01 C ATOM 1223 C ARG A 78 11.994 9.703 -0.322 1.00 0.02 C ATOM 1224 O ARG A 78 10.831 9.413 -0.520 1.00 0.02 O ATOM 1225 CB ARG A 78 11.866 12.205 -0.335 1.00 0.43 C ATOM 1226 CG ARG A 78 12.084 12.284 1.175 1.00 0.80 C ATOM 1227 CD ARG A 78 11.559 13.623 1.698 1.00 1.00 C ATOM 1228 NE ARG A 78 11.601 13.626 3.186 1.00 1.30 N ATOM 1229 CZ ARG A 78 11.488 14.750 3.840 1.00 2.30 C ATOM 1230 NH1 ARG A 78 11.339 15.872 3.190 1.00 2.72 N ATOM 1231 NH2 ARG A 78 11.523 14.751 5.143 1.00 3.20 N ATOM 0 H ARG A 78 11.629 11.314 -2.776 1.00 0.01 H new ATOM 0 HA ARG A 78 13.656 11.020 -0.607 1.00 0.01 H new ATOM 0 HB2 ARG A 78 12.227 13.115 -0.813 1.00 0.43 H new ATOM 0 HB3 ARG A 78 10.801 12.130 -0.556 1.00 0.43 H new ATOM 0 HG2 ARG A 78 11.569 11.461 1.671 1.00 0.80 H new ATOM 0 HG3 ARG A 78 13.144 12.182 1.406 1.00 0.80 H new ATOM 0 HD2 ARG A 78 12.163 14.441 1.305 1.00 1.00 H new ATOM 0 HD3 ARG A 78 10.538 13.786 1.352 1.00 1.00 H new ATOM 0 HE ARG A 78 11.718 12.750 3.695 1.00 1.30 H new ATOM 0 HH11 ARG A 78 11.311 15.871 2.170 1.00 2.72 H new ATOM 0 HH12 ARG A 78 11.251 16.750 3.702 1.00 2.72 H new ATOM 0 HH21 ARG A 78 11.639 13.874 5.651 1.00 3.20 H new ATOM 0 HH22 ARG A 78 11.435 15.629 5.655 1.00 3.20 H new ATOM 1245 N LEU A 79 12.764 8.959 0.431 1.00 0.01 N ATOM 1246 CA LEU A 79 12.246 7.714 1.082 1.00 0.01 C ATOM 1247 C LEU A 79 12.886 7.625 2.468 1.00 0.01 C ATOM 1248 O LEU A 79 14.094 7.595 2.594 1.00 0.02 O ATOM 1249 CB LEU A 79 12.637 6.471 0.271 1.00 1.04 C ATOM 1250 CG LEU A 79 11.807 6.380 -1.024 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.240 5.136 -1.816 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.298 6.283 -0.696 1.00 2.61 C ATOM 0 H LEU A 79 13.744 9.163 0.626 1.00 0.01 H new ATOM 0 HA LEU A 79 11.158 7.753 1.143 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.698 6.510 0.026 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.481 5.575 0.872 1.00 1.04 H new ATOM 0 HG LEU A 79 11.978 7.278 -1.617 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.655 5.067 -2.733 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.298 5.213 -2.065 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.074 4.244 -1.212 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.728 6.220 -1.623 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.113 5.393 -0.094 1.00 2.61 H new ATOM 0 HD23 LEU A 79 9.989 7.168 -0.140 1.00 2.61 H new ATOM 1264 N GLY A 80 12.093 7.626 3.511 1.00 0.02 N ATOM 1265 CA GLY A 80 12.656 7.593 4.899 1.00 0.02 C ATOM 1266 C GLY A 80 12.459 6.228 5.568 1.00 0.02 C ATOM 1267 O GLY A 80 13.132 5.920 6.533 1.00 0.01 O ATOM 0 H GLY A 80 11.074 7.648 3.462 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.720 7.829 4.864 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.178 8.365 5.502 1.00 0.02 H new ATOM 1271 N SER A 81 11.561 5.398 5.092 1.00 0.01 N ATOM 1272 CA SER A 81 11.376 4.069 5.762 1.00 0.01 C ATOM 1273 C SER A 81 10.792 3.050 4.787 1.00 0.02 C ATOM 1274 O SER A 81 10.136 3.389 3.821 1.00 0.01 O ATOM 1275 CB SER A 81 10.434 4.232 6.955 1.00 0.01 C ATOM 1276 OG SER A 81 9.328 5.038 6.575 1.00 0.01 O ATOM 0 H SER A 81 10.960 5.576 4.287 1.00 0.01 H new ATOM 0 HA SER A 81 12.347 3.708 6.101 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.087 3.256 7.295 1.00 0.01 H new ATOM 0 HB3 SER A 81 10.963 4.691 7.790 1.00 0.01 H new ATOM 0 HG SER A 81 9.534 5.980 6.750 1.00 0.01 H new ATOM 1282 N CYS A 82 11.026 1.787 5.044 1.00 0.02 N ATOM 1283 CA CYS A 82 10.486 0.722 4.143 1.00 0.01 C ATOM 1284 C CYS A 82 10.102 -0.518 4.957 1.00 0.01 C ATOM 1285 O CYS A 82 10.716 -0.832 5.957 1.00 0.01 O ATOM 1286 CB CYS A 82 11.545 0.343 3.106 1.00 0.01 C ATOM 1287 SG CYS A 82 12.883 -0.573 3.913 1.00 0.02 S ATOM 0 H CYS A 82 11.568 1.447 5.839 1.00 0.02 H new ATOM 0 HA CYS A 82 9.598 1.104 3.639 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.097 -0.264 2.319 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.940 1.240 2.630 1.00 0.01 H new ATOM 0 HG CYS A 82 12.533 -0.871 5.129 1.00 0.02 H new ATOM 1293 N ARG A 83 9.091 -1.230 4.524 1.00 0.01 N ATOM 1294 CA ARG A 83 8.654 -2.464 5.252 1.00 0.01 C ATOM 1295 C ARG A 83 8.354 -3.564 4.236 1.00 0.01 C ATOM 1296 O ARG A 83 7.818 -3.319 3.173 1.00 0.01 O ATOM 1297 CB ARG A 83 7.370 -2.174 6.030 1.00 0.01 C ATOM 1298 CG ARG A 83 7.679 -1.239 7.201 1.00 0.01 C ATOM 1299 CD ARG A 83 6.373 -0.671 7.759 1.00 0.01 C ATOM 1300 NE ARG A 83 5.346 -1.750 7.813 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.262 -1.585 8.523 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.077 -0.476 9.185 1.00 0.01 N ATOM 1303 NH2 ARG A 83 3.364 -2.530 8.571 1.00 0.01 N ATOM 0 H ARG A 83 8.545 -1.008 3.691 1.00 0.01 H new ATOM 0 HA ARG A 83 9.445 -2.775 5.934 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.630 -1.718 5.373 1.00 0.01 H new ATOM 0 HB3 ARG A 83 6.938 -3.104 6.399 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.215 -1.780 7.981 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.329 -0.428 6.871 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.538 -0.261 8.755 1.00 0.01 H new ATOM 0 HD3 ARG A 83 6.023 0.148 7.131 1.00 0.01 H new ATOM 0 HE ARG A 83 5.490 -2.617 7.296 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.779 0.263 9.148 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.230 -0.348 9.739 1.00 0.01 H new ATOM 0 HH21 ARG A 83 3.508 -3.397 8.054 1.00 0.01 H new ATOM 0 HH22 ARG A 83 2.517 -2.401 9.125 1.00 0.01 H new ATOM 1317 N ALA A 84 8.698 -4.782 4.555 1.00 0.01 N ATOM 1318 CA ALA A 84 8.440 -5.902 3.611 1.00 0.01 C ATOM 1319 C ALA A 84 6.967 -6.303 3.694 1.00 0.01 C ATOM 1320 O ALA A 84 6.419 -6.500 4.760 1.00 0.00 O ATOM 1321 CB ALA A 84 9.309 -7.103 3.988 1.00 0.43 C ATOM 0 H ALA A 84 9.147 -5.048 5.431 1.00 0.01 H new ATOM 0 HA ALA A 84 8.681 -5.583 2.597 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.118 -7.922 3.295 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.361 -6.822 3.936 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.068 -7.422 5.002 1.00 0.43 H new ATOM 1327 N VAL A 85 6.336 -6.444 2.562 1.00 0.01 N ATOM 1328 CA VAL A 85 4.906 -6.854 2.535 1.00 0.01 C ATOM 1329 C VAL A 85 4.836 -8.379 2.469 1.00 0.01 C ATOM 1330 O VAL A 85 5.391 -8.992 1.579 1.00 0.01 O ATOM 1331 CB VAL A 85 4.223 -6.253 1.304 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.719 -6.524 1.365 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.462 -4.742 1.278 1.00 1.12 C ATOM 0 H VAL A 85 6.755 -6.291 1.645 1.00 0.01 H new ATOM 0 HA VAL A 85 4.399 -6.497 3.432 1.00 0.01 H new ATOM 0 HB VAL A 85 4.637 -6.708 0.404 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.236 -6.095 0.487 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.544 -7.600 1.386 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.304 -6.071 2.265 1.00 1.25 H new ATOM 0 HG21 VAL A 85 3.976 -4.312 0.402 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.047 -4.292 2.180 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.533 -4.544 1.233 1.00 1.12 H new ATOM 1343 N HIS A 86 4.159 -9.004 3.394 1.00 0.01 N ATOM 1344 CA HIS A 86 4.059 -10.492 3.366 1.00 0.01 C ATOM 1345 C HIS A 86 2.803 -10.880 2.589 1.00 0.01 C ATOM 1346 O HIS A 86 1.733 -10.351 2.811 1.00 0.00 O ATOM 1347 CB HIS A 86 3.952 -11.024 4.797 1.00 0.21 C ATOM 1348 CG HIS A 86 5.218 -10.712 5.545 1.00 0.71 C ATOM 1349 ND1 HIS A 86 5.647 -9.412 5.761 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.160 -11.520 6.130 1.00 1.20 C ATOM 1351 CE1 HIS A 86 6.803 -9.475 6.449 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.160 -10.737 6.701 1.00 1.71 N ATOM 0 H HIS A 86 3.672 -8.550 4.166 1.00 0.01 H new ATOM 0 HA HIS A 86 4.943 -10.916 2.889 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.098 -10.571 5.301 1.00 0.21 H new ATOM 0 HB3 HIS A 86 3.781 -12.100 4.784 1.00 0.21 H new ATOM 0 HD2 HIS A 86 6.130 -12.599 6.145 1.00 1.20 H new ATOM 0 HE1 HIS A 86 7.372 -8.611 6.759 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.987 -11.058 7.204 1.00 1.71 H new ATOM 1360 N LEU A 87 2.929 -11.806 1.675 1.00 0.01 N ATOM 1361 CA LEU A 87 1.751 -12.243 0.872 1.00 0.01 C ATOM 1362 C LEU A 87 1.179 -13.507 1.515 1.00 0.01 C ATOM 1363 O LEU A 87 1.913 -14.396 1.903 1.00 0.01 O ATOM 1364 CB LEU A 87 2.208 -12.554 -0.572 1.00 0.67 C ATOM 1365 CG LEU A 87 3.428 -11.697 -0.942 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.788 -11.946 -2.411 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.120 -10.202 -0.721 1.00 1.34 C ATOM 0 H LEU A 87 3.803 -12.281 1.450 1.00 0.01 H new ATOM 0 HA LEU A 87 0.993 -11.460 0.845 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.457 -13.611 -0.662 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.393 -12.358 -1.269 1.00 0.67 H new ATOM 0 HG LEU A 87 4.269 -11.973 -0.306 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.653 -11.341 -2.681 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.024 -13.001 -2.554 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.943 -11.674 -3.044 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.994 -9.607 -0.987 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.277 -9.908 -1.346 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.872 -10.033 0.327 1.00 1.34 H new ATOM 1379 N SER A 88 -0.123 -13.611 1.607 1.00 0.01 N ATOM 1380 CA SER A 88 -0.759 -14.829 2.194 1.00 0.01 C ATOM 1381 C SER A 88 -1.460 -15.600 1.079 1.00 0.01 C ATOM 1382 O SER A 88 -2.304 -15.048 0.400 1.00 0.01 O ATOM 1383 CB SER A 88 -1.790 -14.417 3.247 1.00 0.81 C ATOM 1384 OG SER A 88 -2.611 -13.384 2.716 1.00 1.08 O ATOM 0 H SER A 88 -0.780 -12.895 1.296 1.00 0.01 H new ATOM 0 HA SER A 88 0.002 -15.452 2.663 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.401 -15.274 3.531 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.287 -14.071 4.150 1.00 0.81 H new ATOM 0 HG SER A 88 -2.679 -13.487 1.744 1.00 1.08 H new ATOM 1390 N SER A 89 -1.187 -16.867 0.900 1.00 0.01 N ATOM 1391 CA SER A 89 -1.919 -17.644 -0.149 1.00 0.01 C ATOM 1392 C SER A 89 -2.957 -18.482 0.589 1.00 0.01 C ATOM 1393 O SER A 89 -3.336 -18.136 1.690 1.00 0.01 O ATOM 1394 CB SER A 89 -0.943 -18.561 -0.891 1.00 0.43 C ATOM 1395 OG SER A 89 -1.592 -19.118 -2.027 1.00 1.26 O ATOM 0 H SER A 89 -0.494 -17.396 1.430 1.00 0.01 H new ATOM 0 HA SER A 89 -2.385 -16.985 -0.882 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.062 -17.999 -1.201 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.598 -19.355 -0.229 1.00 0.43 H new ATOM 0 HG SER A 89 -0.969 -19.704 -2.505 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.404 -19.588 0.049 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.390 -20.434 0.793 1.00 0.00 C ATOM 1403 C GLY A 90 -5.516 -20.931 -0.113 1.00 0.00 C ATOM 1404 O GLY A 90 -5.811 -22.109 -0.144 1.00 0.01 O ATOM 0 H GLY A 90 -3.132 -19.941 -0.868 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.875 -21.288 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.814 -19.858 1.616 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.151 -20.064 -0.860 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.241 -20.546 -1.748 1.00 0.00 C ATOM 1410 C GLY A 91 -7.894 -19.394 -2.521 1.00 0.00 C ATOM 1411 O GLY A 91 -7.368 -18.949 -3.524 1.00 0.01 O ATOM 0 H GLY A 91 -5.964 -19.062 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.841 -21.276 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.996 -21.058 -1.152 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.033 -18.909 -2.079 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.723 -17.785 -2.805 1.00 2.31 C ATOM 1417 C GLN A 92 -9.860 -16.564 -1.888 1.00 1.91 C ATOM 1418 O GLN A 92 -10.455 -16.620 -0.831 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.095 -18.272 -3.270 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.685 -17.264 -4.261 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.034 -17.777 -4.771 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.227 -17.933 -5.960 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.980 -18.047 -3.915 1.00 4.43 N ATOM 0 H GLN A 92 -9.517 -19.242 -1.245 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.133 -17.485 -3.671 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.005 -19.251 -3.741 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.760 -18.389 -2.415 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.812 -16.295 -3.778 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.001 -17.117 -5.097 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -13.817 -17.916 -2.917 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.883 -18.389 -4.244 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.268 -15.465 -2.292 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.313 -14.233 -1.451 1.00 0.01 C ATOM 1434 C ALA A 93 -10.759 -13.720 -1.377 1.00 0.01 C ATOM 1435 O ALA A 93 -11.476 -13.748 -2.358 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.414 -13.166 -2.078 1.00 2.99 C ATOM 0 H ALA A 93 -8.756 -15.371 -3.169 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.961 -14.457 -0.444 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.442 -12.263 -1.469 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.390 -13.537 -2.130 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.768 -12.937 -3.083 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.218 -13.304 -0.206 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.658 -12.851 -0.079 1.00 0.01 C ATOM 1444 C LYS A 94 -12.813 -11.561 0.750 1.00 0.01 C ATOM 1445 O LYS A 94 -12.304 -11.431 1.879 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.478 -13.962 0.584 1.00 2.49 C ATOM 1447 CG LYS A 94 -14.952 -13.549 0.635 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.822 -14.777 0.921 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.492 -15.336 2.308 1.00 5.23 C ATOM 1450 NZ LYS A 94 -14.244 -16.148 2.234 1.00 6.36 N ATOM 0 H LYS A 94 -10.670 -13.259 0.653 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.015 -12.638 -1.086 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.369 -14.892 0.025 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.107 -14.150 1.592 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.102 -12.796 1.409 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.246 -13.096 -0.312 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -16.877 -14.507 0.870 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.651 -15.540 0.161 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -15.366 -14.520 3.020 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -16.317 -15.950 2.670 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -14.377 -17.037 2.757 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -14.026 -16.360 1.239 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -13.457 -15.614 2.654 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.557 -10.609 0.191 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.816 -9.307 0.885 1.00 0.01 C ATOM 1466 C ILE A 95 -15.323 -8.968 0.843 1.00 0.01 C ATOM 1467 O ILE A 95 -15.986 -9.141 -0.164 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.011 -8.201 0.172 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.598 -6.810 0.482 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.058 -8.437 -1.341 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.570 -5.727 0.147 1.00 1.09 C ATOM 0 H ILE A 95 -13.994 -10.692 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.509 -9.381 1.928 1.00 0.01 H new ATOM 0 HB ILE A 95 -11.982 -8.236 0.530 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.508 -6.652 -0.097 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.875 -6.748 1.534 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.490 -7.657 -1.849 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.624 -9.410 -1.571 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.093 -8.412 -1.681 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -12.990 -4.746 0.368 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.672 -5.880 0.745 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.315 -5.782 -0.911 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.837 -8.416 1.922 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.279 -7.976 1.963 1.00 0.01 C ATOM 1485 C GLN A 96 -17.300 -6.491 2.347 1.00 0.01 C ATOM 1486 O GLN A 96 -16.528 -6.070 3.182 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.083 -8.814 2.966 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.243 -9.121 4.198 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.152 -9.675 5.297 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -19.213 -9.142 5.550 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -17.777 -10.731 5.966 1.00 2.05 N ATOM 0 H GLN A 96 -15.317 -8.249 2.784 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.744 -8.121 0.988 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.985 -8.276 3.258 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.405 -9.744 2.497 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.466 -9.845 3.953 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.740 -8.218 4.545 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -16.886 -11.179 5.754 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.375 -11.108 6.701 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.154 -5.683 1.753 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.177 -4.215 2.094 1.00 0.01 C ATOM 1502 C VAL A 97 -19.579 -3.771 2.546 1.00 0.01 C ATOM 1503 O VAL A 97 -20.585 -4.282 2.089 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.762 -3.425 0.851 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.420 -3.951 0.334 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.825 -3.594 -0.236 1.00 1.03 C ATOM 0 H VAL A 97 -18.834 -5.973 1.050 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.487 -4.028 2.917 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.664 -2.370 1.107 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.125 -3.388 -0.551 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.661 -3.834 1.108 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.517 -5.006 0.077 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.531 -3.032 -1.123 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.920 -4.650 -0.491 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.782 -3.221 0.130 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.637 -2.826 3.467 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.954 -2.334 3.998 1.00 0.01 C ATOM 1518 C PHE A 98 -21.117 -0.827 3.739 1.00 0.01 C ATOM 1519 O PHE A 98 -20.183 -0.037 3.857 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.016 -2.578 5.508 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.032 -4.062 5.802 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.880 -4.825 5.591 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.192 -4.669 6.304 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -19.884 -6.196 5.877 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.195 -6.039 6.593 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.040 -6.803 6.380 1.00 0.69 C ATOM 0 H PHE A 98 -18.819 -2.373 3.875 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.753 -2.874 3.489 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.157 -2.114 5.993 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.908 -2.109 5.922 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -18.986 -4.357 5.207 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.082 -4.080 6.468 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -18.994 -6.785 5.709 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.088 -6.507 6.980 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.042 -7.860 6.604 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.314 -0.439 3.379 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.597 0.996 3.080 1.00 0.01 C ATOM 1538 C GLU A 99 -22.509 1.872 4.339 1.00 0.01 C ATOM 1539 O GLU A 99 -22.140 3.027 4.255 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.000 1.120 2.486 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.243 2.567 2.047 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.565 2.658 1.282 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -25.810 1.798 0.454 1.00 0.02 O ATOM 1544 OE2 GLU A 99 -26.311 3.591 1.538 1.00 0.01 O ATOM 0 H GLU A 99 -23.115 -1.062 3.279 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.845 1.344 2.372 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.107 0.448 1.635 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.746 0.822 3.223 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.270 3.222 2.918 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.422 2.909 1.416 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.853 1.353 5.501 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.796 2.187 6.753 1.00 0.01 C ATOM 1553 C LYS A 100 -21.733 1.640 7.713 1.00 0.01 C ATOM 1554 O LYS A 100 -21.246 0.534 7.564 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.156 2.174 7.452 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.240 2.653 6.483 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.620 2.312 7.051 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.701 2.711 6.044 1.00 2.84 C ATOM 1559 NZ LYS A 100 -29.041 2.612 6.688 1.00 3.18 N ATOM 0 H LYS A 100 -23.169 0.393 5.636 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.536 3.208 6.474 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.386 1.168 7.801 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.130 2.818 8.331 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.155 3.729 6.328 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.108 2.179 5.510 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.683 1.245 7.264 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.776 2.836 7.994 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.529 3.729 5.693 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.657 2.061 5.170 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -29.776 2.883 6.004 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -29.204 1.634 7.002 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -29.080 3.250 7.509 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.378 2.423 8.696 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.339 1.997 9.678 1.00 0.01 C ATOM 1575 C GLY A 101 -20.843 0.840 10.544 1.00 0.00 C ATOM 1576 O GLY A 101 -22.025 0.568 10.628 1.00 0.01 O ATOM 0 H GLY A 101 -21.768 3.351 8.862 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.436 1.693 9.148 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.067 2.840 10.314 1.00 0.01 H new ATOM 1580 N ASP A 102 -19.931 0.173 11.199 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.293 -0.964 12.091 1.00 0.00 C ATOM 1582 C ASP A 102 -21.055 -2.041 11.321 1.00 0.00 C ATOM 1583 O ASP A 102 -21.968 -2.662 11.830 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.148 -0.448 13.248 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.467 0.763 13.885 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.261 0.884 13.739 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.161 1.550 14.508 1.00 0.01 O ATOM 0 H ASP A 102 -18.932 0.373 11.152 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.377 -1.409 12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.139 -0.173 12.887 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.286 -1.234 13.991 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.655 -2.290 10.103 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.308 -3.351 9.287 1.00 0.01 C ATOM 1594 C PHE A 103 -22.823 -3.159 9.249 1.00 0.00 C ATOM 1595 O PHE A 103 -23.574 -4.052 9.594 1.00 0.01 O ATOM 1596 CB PHE A 103 -20.989 -4.719 9.896 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.519 -4.788 10.244 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.571 -5.004 9.236 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.103 -4.641 11.575 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.209 -5.071 9.557 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.741 -4.709 11.895 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.795 -4.924 10.886 1.00 0.01 C ATOM 0 H PHE A 103 -19.895 -1.797 9.635 1.00 0.01 H new ATOM 0 HA PHE A 103 -20.926 -3.290 8.268 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.593 -4.881 10.789 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.244 -5.511 9.191 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.890 -5.119 8.211 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.833 -4.475 12.354 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.478 -5.236 8.779 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.421 -4.596 12.920 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.745 -4.977 11.133 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.285 -2.015 8.807 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.760 -1.769 8.714 1.00 0.01 C ATOM 1614 C ASN A 104 -25.069 -1.247 7.309 1.00 0.01 C ATOM 1615 O ASN A 104 -24.180 -0.856 6.578 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.180 -0.724 9.757 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.329 -1.394 11.125 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -25.794 -2.513 11.221 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -24.950 -0.751 12.196 1.00 2.38 N ATOM 0 H ASN A 104 -22.701 -1.236 8.505 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.308 -2.692 8.904 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.436 0.071 9.810 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.122 -0.261 9.463 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -25.044 -1.188 13.113 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -24.560 0.188 12.116 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.315 -1.242 6.912 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.657 -0.746 5.545 1.00 0.01 C ATOM 1628 C GLY A 105 -26.644 -1.920 4.569 1.00 0.01 C ATOM 1629 O GLY A 105 -26.678 -3.066 4.973 1.00 0.01 O ATOM 0 H GLY A 105 -27.107 -1.558 7.472 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.639 -0.273 5.551 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -25.940 0.013 5.230 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.578 -1.659 3.293 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.546 -2.779 2.315 1.00 0.01 C ATOM 1635 C GLN A 106 -25.149 -3.403 2.327 1.00 0.01 C ATOM 1636 O GLN A 106 -24.147 -2.723 2.453 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.856 -2.240 0.917 1.00 0.01 C ATOM 1638 CG GLN A 106 -26.955 -3.402 -0.072 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.541 -2.901 -1.392 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.317 -3.686 -2.088 1.00 0.01 O flip ATOM 1641 NE2 GLN A 106 -27.292 -1.781 -1.793 1.00 0.01 N flip ATOM 0 H GLN A 106 -26.545 -0.723 2.888 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.289 -3.531 2.583 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.792 -1.681 0.931 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.076 -1.547 0.602 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -25.969 -3.835 -0.241 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -27.583 -4.192 0.340 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -26.685 -1.168 -1.249 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -27.690 -1.454 -2.674 1.00 0.01 H new ATOM 1650 N MET A 107 -25.091 -4.705 2.205 1.00 0.01 N ATOM 1651 CA MET A 107 -23.779 -5.424 2.211 1.00 0.01 C ATOM 1652 C MET A 107 -23.564 -6.108 0.861 1.00 0.01 C ATOM 1653 O MET A 107 -24.482 -6.635 0.262 1.00 0.01 O ATOM 1654 CB MET A 107 -23.794 -6.491 3.310 1.00 0.00 C ATOM 1655 CG MET A 107 -22.404 -7.118 3.452 1.00 0.01 C ATOM 1656 SD MET A 107 -22.517 -8.594 4.494 1.00 0.01 S ATOM 1657 CE MET A 107 -22.850 -9.781 3.169 1.00 0.01 C ATOM 0 H MET A 107 -25.907 -5.308 2.100 1.00 0.01 H new ATOM 0 HA MET A 107 -22.976 -4.710 2.394 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.099 -6.045 4.257 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.527 -7.262 3.070 1.00 0.00 H new ATOM 0 HG2 MET A 107 -22.009 -7.381 2.471 1.00 0.01 H new ATOM 0 HG3 MET A 107 -21.712 -6.400 3.892 1.00 0.01 H new ATOM 0 HE1 MET A 107 -22.958 -10.779 3.593 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.770 -9.504 2.655 1.00 0.01 H new ATOM 0 HE3 MET A 107 -22.023 -9.776 2.459 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.342 -6.121 0.397 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.006 -6.785 -0.899 1.00 0.00 C ATOM 1669 C TYR A 108 -20.776 -7.674 -0.677 1.00 0.01 C ATOM 1670 O TYR A 108 -19.828 -7.292 -0.018 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.693 -5.725 -1.960 1.00 0.54 C ATOM 1672 CG TYR A 108 -22.981 -5.096 -2.444 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.772 -5.758 -3.392 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.384 -3.852 -1.943 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -24.965 -5.175 -3.838 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.577 -3.269 -2.390 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.367 -3.931 -3.337 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.544 -3.359 -3.777 1.00 2.48 O ATOM 0 H TYR A 108 -21.547 -5.691 0.870 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.848 -7.385 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.038 -4.961 -1.543 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.161 -6.179 -2.796 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.462 -6.718 -3.779 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.775 -3.342 -1.212 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.575 -5.685 -4.569 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.887 -2.309 -2.004 1.00 1.51 H new ATOM 0 HH TYR A 108 -27.300 -3.926 -3.518 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.810 -8.872 -1.204 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.677 -9.838 -1.022 1.00 0.01 C ATOM 1690 C GLU A 109 -19.047 -10.151 -2.375 1.00 0.01 C ATOM 1691 O GLU A 109 -19.735 -10.393 -3.347 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.244 -11.118 -0.403 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.123 -12.149 -0.242 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.626 -13.323 0.598 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.595 -13.945 0.191 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.037 -13.582 1.634 1.00 0.00 O ATOM 0 H GLU A 109 -21.586 -9.229 -1.762 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.912 -9.411 -0.373 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.692 -10.898 0.566 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -21.035 -11.521 -1.036 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.796 -12.502 -1.220 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.258 -11.690 0.237 1.00 0.01 H new ATOM 1703 N THR A 110 -17.736 -10.138 -2.460 1.00 0.01 N ATOM 1704 CA THR A 110 -17.082 -10.428 -3.771 1.00 0.00 C ATOM 1705 C THR A 110 -15.717 -11.099 -3.578 1.00 0.01 C ATOM 1706 O THR A 110 -14.993 -10.857 -2.618 1.00 0.01 O ATOM 1707 CB THR A 110 -16.890 -9.123 -4.550 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.346 -9.414 -5.831 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.935 -8.205 -3.785 1.00 1.69 C ATOM 0 H THR A 110 -17.100 -9.941 -1.687 1.00 0.01 H new ATOM 0 HA THR A 110 -17.728 -11.109 -4.325 1.00 0.00 H new ATOM 0 HB THR A 110 -17.852 -8.625 -4.668 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.224 -8.580 -6.332 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.799 -7.277 -4.340 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.353 -7.982 -2.803 1.00 1.69 H new ATOM 0 HG23 THR A 110 -14.972 -8.701 -3.666 1.00 1.69 H new ATOM 1717 N THR A 111 -15.378 -11.944 -4.521 1.00 0.00 N ATOM 1718 CA THR A 111 -14.077 -12.678 -4.493 1.00 0.01 C ATOM 1719 C THR A 111 -13.202 -12.238 -5.676 1.00 0.01 C ATOM 1720 O THR A 111 -12.178 -12.831 -5.950 1.00 0.01 O ATOM 1721 CB THR A 111 -14.346 -14.181 -4.595 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.289 -14.424 -5.630 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.901 -14.692 -3.263 1.00 0.01 C ATOM 0 H THR A 111 -15.964 -12.160 -5.328 1.00 0.00 H new ATOM 0 HA THR A 111 -13.558 -12.455 -3.561 1.00 0.01 H new ATOM 0 HB THR A 111 -13.417 -14.703 -4.823 1.00 0.01 H new ATOM 0 HG1 THR A 111 -14.829 -14.797 -6.411 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.093 -15.763 -3.335 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.175 -14.506 -2.471 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.831 -14.172 -3.033 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.625 -11.225 -6.405 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.849 -10.765 -7.609 1.00 0.01 C ATOM 1733 C GLU A 112 -12.451 -9.292 -7.481 1.00 0.01 C ATOM 1734 O GLU A 112 -12.997 -8.555 -6.684 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.721 -10.940 -8.855 1.00 0.85 C ATOM 1736 CG GLU A 112 -13.849 -12.427 -9.191 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.573 -13.145 -8.051 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -15.489 -12.558 -7.495 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -14.201 -14.269 -7.753 1.00 3.07 O ATOM 0 H GLU A 112 -14.477 -10.696 -6.217 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.940 -11.362 -7.686 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.708 -10.510 -8.683 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.282 -10.404 -9.696 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -14.399 -12.554 -10.123 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -12.862 -12.863 -9.341 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.513 -8.855 -8.281 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.080 -7.428 -8.240 1.00 0.01 C ATOM 1748 C ASP A 113 -12.203 -6.537 -8.788 1.00 0.00 C ATOM 1749 O ASP A 113 -12.999 -6.959 -9.602 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.835 -7.266 -9.117 1.00 0.01 C ATOM 1751 CG ASP A 113 -9.994 -8.102 -10.388 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -10.684 -7.652 -11.287 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.425 -9.179 -10.440 1.00 0.00 O ATOM 0 H ASP A 113 -11.025 -9.432 -8.966 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.856 -7.138 -7.213 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.693 -6.217 -9.375 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -8.948 -7.583 -8.569 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.245 -5.293 -8.367 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.286 -4.340 -8.876 1.00 0.01 C ATOM 1760 C CYS A 114 -12.586 -3.067 -9.406 1.00 0.01 C ATOM 1761 O CYS A 114 -11.997 -2.346 -8.624 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.208 -3.946 -7.723 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.448 -2.771 -8.316 1.00 0.01 S ATOM 0 H CYS A 114 -11.597 -4.894 -7.687 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.862 -4.812 -9.672 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.696 -4.831 -7.315 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.627 -3.501 -6.915 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.519 -3.415 -8.674 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.644 -2.756 -10.696 1.00 0.01 N ATOM 1770 CA PRO A 115 -11.985 -1.516 -11.203 1.00 0.01 C ATOM 1771 C PRO A 115 -12.784 -0.259 -10.832 1.00 0.01 C ATOM 1772 O PRO A 115 -12.218 0.799 -10.618 1.00 0.01 O ATOM 1773 CB PRO A 115 -11.973 -1.751 -12.723 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.010 -2.844 -13.038 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.338 -3.586 -11.728 1.00 0.01 C ATOM 0 HA PRO A 115 -10.995 -1.345 -10.781 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.215 -0.830 -13.254 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -10.981 -2.059 -13.054 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.912 -2.402 -13.461 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.617 -3.539 -13.781 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.412 -3.638 -11.550 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -12.967 -4.611 -11.740 1.00 0.01 H new ATOM 1783 N SER A 116 -14.090 -0.360 -10.774 1.00 0.01 N ATOM 1784 CA SER A 116 -14.930 0.830 -10.427 1.00 0.02 C ATOM 1785 C SER A 116 -16.100 0.381 -9.545 1.00 0.01 C ATOM 1786 O SER A 116 -17.017 -0.291 -9.986 1.00 0.00 O ATOM 1787 CB SER A 116 -15.464 1.464 -11.712 1.00 0.01 C ATOM 1788 OG SER A 116 -16.326 2.544 -11.378 1.00 0.01 O ATOM 0 H SER A 116 -14.612 -1.218 -10.953 1.00 0.01 H new ATOM 0 HA SER A 116 -14.330 1.562 -9.887 1.00 0.02 H new ATOM 0 HB2 SER A 116 -14.637 1.820 -12.327 1.00 0.01 H new ATOM 0 HB3 SER A 116 -16.003 0.722 -12.301 1.00 0.01 H new ATOM 0 HG SER A 116 -16.669 2.954 -12.199 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.046 0.734 -8.286 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.111 0.325 -7.328 1.00 0.01 C ATOM 1796 C ILE A 117 -18.454 0.950 -7.702 1.00 0.01 C ATOM 1797 O ILE A 117 -19.485 0.321 -7.579 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.713 0.780 -5.924 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.447 0.031 -5.502 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.841 0.473 -4.933 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.873 0.655 -4.226 1.00 1.83 C ATOM 0 H ILE A 117 -15.298 1.296 -7.878 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.217 -0.759 -7.362 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.529 1.854 -5.928 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.676 -1.021 -5.332 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.707 0.071 -6.301 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.548 0.801 -3.936 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.746 1.000 -5.237 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.033 -0.600 -4.921 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.972 0.117 -3.931 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.627 1.701 -4.411 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.611 0.592 -3.426 1.00 1.83 H new ATOM 1813 N MET A 118 -18.461 2.186 -8.125 1.00 0.02 N ATOM 1814 CA MET A 118 -19.759 2.829 -8.464 1.00 0.01 C ATOM 1815 C MET A 118 -20.372 2.148 -9.685 1.00 0.01 C ATOM 1816 O MET A 118 -21.567 1.959 -9.759 1.00 0.02 O ATOM 1817 CB MET A 118 -19.563 4.320 -8.746 1.00 0.24 C ATOM 1818 CG MET A 118 -20.925 4.982 -8.957 1.00 0.63 C ATOM 1819 SD MET A 118 -20.733 6.782 -8.950 1.00 1.20 S ATOM 1820 CE MET A 118 -22.491 7.198 -8.848 1.00 1.34 C ATOM 0 H MET A 118 -17.634 2.770 -8.249 1.00 0.02 H new ATOM 0 HA MET A 118 -20.432 2.721 -7.614 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.042 4.793 -7.914 1.00 0.24 H new ATOM 0 HB3 MET A 118 -18.940 4.455 -9.630 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.356 4.656 -9.903 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.615 4.677 -8.170 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.608 8.282 -8.831 1.00 1.34 H new ATOM 0 HE2 MET A 118 -23.012 6.790 -9.714 1.00 1.34 H new ATOM 0 HE3 MET A 118 -22.913 6.773 -7.937 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.584 1.769 -10.645 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.167 1.107 -11.838 1.00 0.02 C ATOM 1832 C GLU A 119 -20.682 -0.284 -11.461 1.00 0.02 C ATOM 1833 O GLU A 119 -21.683 -0.744 -11.973 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.098 0.978 -12.924 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.761 0.601 -14.249 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.705 0.568 -15.353 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -18.097 -0.475 -15.532 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -18.519 1.585 -16.001 1.00 2.07 O ATOM 0 H GLU A 119 -18.571 1.887 -10.657 1.00 0.01 H new ATOM 0 HA GLU A 119 -20.996 1.708 -12.212 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.557 1.918 -13.030 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.367 0.220 -12.642 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.244 -0.373 -14.163 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.540 1.322 -14.497 1.00 0.99 H new ATOM 1845 N GLN A 120 -19.971 -0.981 -10.614 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.387 -2.372 -10.258 1.00 0.01 C ATOM 1847 C GLN A 120 -21.498 -2.399 -9.200 1.00 0.01 C ATOM 1848 O GLN A 120 -22.447 -3.150 -9.317 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.173 -3.138 -9.727 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.591 -4.562 -9.351 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.344 -5.413 -9.103 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -17.254 -4.893 -8.981 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -18.461 -6.710 -9.021 1.00 2.08 N ATOM 0 H GLN A 120 -19.123 -0.650 -10.154 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.780 -2.839 -11.161 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.388 -3.166 -10.483 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.760 -2.627 -8.857 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.216 -4.545 -8.458 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.189 -4.999 -10.150 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.377 -7.147 -9.124 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -17.637 -7.287 -8.854 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.356 -1.641 -8.137 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.371 -1.688 -7.029 1.00 0.01 C ATOM 1864 C PHE A 121 -23.191 -0.401 -6.924 1.00 0.01 C ATOM 1865 O PHE A 121 -24.057 -0.287 -6.079 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.643 -1.916 -5.705 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.731 -3.114 -5.829 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -19.436 -2.959 -6.335 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -21.182 -4.381 -5.438 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -18.590 -4.068 -6.449 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -20.337 -5.491 -5.553 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.040 -5.334 -6.058 1.00 0.01 C ATOM 0 H PHE A 121 -20.583 -0.992 -7.987 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.062 -2.501 -7.252 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.064 -1.031 -5.439 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.365 -2.077 -4.904 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -19.089 -1.982 -6.638 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -22.182 -4.502 -5.048 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -17.590 -3.947 -6.839 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -20.685 -6.468 -5.252 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.387 -6.190 -6.146 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.935 0.570 -7.751 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.713 1.837 -7.663 1.00 0.01 C ATOM 1884 C HIS A 122 -23.517 2.459 -6.276 1.00 0.01 C ATOM 1885 O HIS A 122 -24.408 3.084 -5.735 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.196 1.539 -7.911 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.324 0.501 -8.991 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -24.779 0.678 -10.254 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.930 -0.731 -9.014 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.064 -0.421 -10.976 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.765 -1.312 -10.269 1.00 0.01 N ATOM 0 H HIS A 122 -22.224 0.544 -8.482 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.363 2.542 -8.417 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.665 1.184 -6.993 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.717 2.450 -8.204 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -26.455 -1.181 -8.185 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -24.763 -0.565 -12.003 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -26.106 -2.221 -10.581 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.345 2.290 -5.701 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.062 2.869 -4.339 1.00 0.01 C ATOM 1901 C LEU A 123 -21.017 3.980 -4.485 1.00 0.02 C ATOM 1902 O LEU A 123 -20.037 3.835 -5.187 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.511 1.759 -3.414 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.657 1.074 -2.640 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.209 -0.313 -2.167 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.038 1.908 -1.408 1.00 0.01 C ATOM 0 H LEU A 123 -21.569 1.775 -6.116 1.00 0.01 H new ATOM 0 HA LEU A 123 -22.977 3.275 -3.908 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -20.973 1.019 -4.006 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.796 2.186 -2.711 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.516 0.985 -3.305 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.022 -0.792 -1.621 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.943 -0.923 -3.030 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.343 -0.212 -1.513 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.848 1.414 -0.870 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.173 2.004 -0.752 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.365 2.898 -1.726 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.227 5.094 -3.829 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.257 6.224 -3.931 1.00 0.00 C ATOM 1920 C ARG A 124 -19.217 6.147 -2.807 1.00 0.01 C ATOM 1921 O ARG A 124 -18.136 6.694 -2.912 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.012 7.554 -3.824 1.00 1.67 C ATOM 1923 CG ARG A 124 -21.931 7.717 -5.037 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.686 9.043 -4.929 1.00 2.92 C ATOM 1925 NE ARG A 124 -23.715 9.119 -6.005 1.00 3.54 N ATOM 1926 CZ ARG A 124 -24.665 10.011 -5.939 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -24.715 10.837 -4.930 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -25.564 10.077 -6.882 1.00 5.32 N ATOM 0 H ARG A 124 -22.031 5.269 -3.226 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.746 6.158 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.597 7.579 -2.905 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.306 8.383 -3.775 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.346 7.693 -5.956 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.636 6.887 -5.087 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.160 9.125 -3.951 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -21.991 9.878 -5.017 1.00 2.92 H new ATOM 0 HE ARG A 124 -23.676 8.473 -6.794 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.012 10.785 -4.193 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -25.458 11.534 -4.878 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -25.524 9.431 -7.671 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -26.307 10.774 -6.831 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.542 5.492 -1.717 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.584 5.403 -0.571 1.00 0.01 C ATOM 1944 C GLU A 125 -18.782 4.080 0.180 1.00 0.01 C ATOM 1945 O GLU A 125 -19.800 3.427 0.052 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.848 6.556 0.399 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.712 7.889 -0.340 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.696 9.035 0.675 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.318 8.888 1.715 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -18.063 10.039 0.394 1.00 0.01 O ATOM 0 H GLU A 125 -20.432 5.015 -1.573 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.566 5.456 -0.958 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -19.847 6.465 0.825 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.143 6.515 1.229 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.795 7.898 -0.930 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.541 8.017 -1.037 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.823 3.700 0.991 1.00 0.01 N ATOM 1958 CA ILE A 126 -17.943 2.440 1.798 1.00 0.01 C ATOM 1959 C ILE A 126 -17.567 2.785 3.242 1.00 0.01 C ATOM 1960 O ILE A 126 -16.565 3.433 3.477 1.00 0.01 O ATOM 1961 CB ILE A 126 -16.982 1.381 1.239 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.574 0.824 -0.059 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.807 0.240 2.253 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.549 -0.073 -0.751 1.00 1.70 C ATOM 0 H ILE A 126 -16.953 4.213 1.131 1.00 0.01 H new ATOM 0 HA ILE A 126 -18.956 2.041 1.754 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.008 1.832 1.048 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.480 0.257 0.157 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.860 1.642 -0.720 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.124 -0.506 1.847 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.399 0.638 3.182 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.774 -0.223 2.450 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -16.975 -0.467 -1.674 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.655 0.507 -0.982 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.285 -0.900 -0.091 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.388 2.422 4.210 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.083 2.818 5.631 1.00 0.01 C ATOM 1978 C HIS A 127 -17.607 1.644 6.492 1.00 0.01 C ATOM 1979 O HIS A 127 -17.066 1.847 7.560 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.328 3.453 6.264 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.529 4.840 5.714 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.427 5.119 4.361 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.826 6.034 6.321 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.659 6.434 4.200 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.908 7.041 5.364 1.00 0.02 N ATOM 0 H HIS A 127 -19.241 1.878 4.081 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.263 3.535 5.594 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.205 2.840 6.058 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.215 3.494 7.347 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -19.974 6.172 7.382 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.646 6.938 3.245 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.114 8.028 5.518 1.00 0.02 H new ATOM 1993 N SER A 128 -17.753 0.426 6.050 1.00 0.01 N ATOM 1994 CA SER A 128 -17.246 -0.715 6.874 1.00 0.01 C ATOM 1995 C SER A 128 -16.968 -1.890 5.943 1.00 0.01 C ATOM 1996 O SER A 128 -17.555 -2.003 4.889 1.00 0.01 O ATOM 1997 CB SER A 128 -18.301 -1.105 7.919 1.00 0.01 C ATOM 1998 OG SER A 128 -18.339 -2.521 8.056 1.00 0.01 O ATOM 0 H SER A 128 -18.195 0.170 5.167 1.00 0.01 H new ATOM 0 HA SER A 128 -16.332 -0.431 7.395 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.065 -0.643 8.878 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.280 -0.733 7.618 1.00 0.01 H new ATOM 0 HG SER A 128 -18.280 -2.760 9.005 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.065 -2.764 6.292 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.764 -3.897 5.380 1.00 0.01 C ATOM 2006 C CYS A 129 -15.026 -4.989 6.145 1.00 0.00 C ATOM 2007 O CYS A 129 -14.216 -4.722 7.013 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.893 -3.391 4.231 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.166 -4.789 3.340 1.00 1.22 S ATOM 0 H CYS A 129 -15.529 -2.742 7.160 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.692 -4.308 4.983 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.492 -2.787 3.549 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.104 -2.747 4.619 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.059 -5.722 3.194 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.300 -6.228 5.825 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.623 -7.360 6.523 1.00 0.01 C ATOM 2017 C LYS A 130 -13.905 -8.218 5.485 1.00 0.01 C ATOM 2018 O LYS A 130 -14.511 -8.871 4.659 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.673 -8.202 7.275 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.043 -8.867 8.506 1.00 0.80 C ATOM 2021 CD LYS A 130 -15.937 -10.016 8.984 1.00 0.29 C ATOM 2022 CE LYS A 130 -15.530 -10.430 10.399 1.00 0.33 C ATOM 2023 NZ LYS A 130 -16.426 -11.522 10.875 1.00 1.41 N ATOM 0 H LYS A 130 -15.968 -6.505 5.106 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.899 -6.979 7.243 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.505 -7.568 7.582 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -16.081 -8.964 6.611 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.050 -9.244 8.260 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -14.918 -8.134 9.303 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -16.982 -9.706 8.972 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -15.848 -10.865 8.306 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -14.493 -10.767 10.407 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -15.593 -9.575 11.072 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -16.149 -11.804 11.837 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -17.410 -11.185 10.882 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -16.345 -12.340 10.238 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.609 -8.213 5.544 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.775 -9.019 4.613 1.00 0.01 C ATOM 2039 C VAL A 131 -11.185 -10.136 5.441 1.00 0.01 C ATOM 2040 O VAL A 131 -10.462 -9.870 6.391 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.644 -8.147 4.050 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.965 -8.865 2.885 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.213 -6.816 3.559 1.00 0.01 C ATOM 0 H VAL A 131 -12.074 -7.667 6.220 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.361 -9.402 3.778 1.00 0.01 H new ATOM 0 HB VAL A 131 -9.914 -7.963 4.838 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.163 -8.241 2.490 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.550 -9.811 3.233 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.696 -9.056 2.100 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.407 -6.200 3.160 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.949 -7.001 2.777 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.690 -6.296 4.390 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.397 -11.390 5.075 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.729 -12.476 5.866 1.00 0.01 C ATOM 2055 C VAL A 132 -10.378 -13.625 4.934 1.00 0.00 C ATOM 2056 O VAL A 132 -10.888 -14.718 5.069 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.685 -12.982 6.950 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.921 -13.883 7.922 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.274 -11.796 7.716 1.00 1.98 C ATOM 0 H VAL A 132 -11.980 -11.695 4.295 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.825 -12.085 6.332 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.492 -13.546 6.482 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.600 -14.244 8.694 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.504 -14.732 7.380 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.113 -13.316 8.385 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.953 -12.161 8.486 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.469 -11.228 8.182 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.820 -11.152 7.026 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.486 -13.404 4.025 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.051 -14.484 3.098 1.00 0.01 C ATOM 2071 C GLU A 133 -8.072 -13.839 2.116 1.00 0.01 C ATOM 2072 O GLU A 133 -8.483 -13.064 1.270 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.272 -15.111 2.361 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.253 -16.643 2.493 1.00 0.00 C ATOM 2075 CD GLU A 133 -10.541 -17.040 3.940 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -9.598 -17.112 4.712 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -11.698 -17.265 4.253 1.00 0.00 O ATOM 0 H GLU A 133 -9.027 -12.505 3.877 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.573 -15.301 3.638 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.198 -14.716 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.252 -14.831 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.997 -17.084 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -9.282 -17.032 2.186 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.806 -14.140 2.213 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.820 -13.524 1.275 1.00 0.01 C ATOM 2086 C GLY A 134 -5.651 -12.040 1.614 1.00 0.01 C ATOM 2087 O GLY A 134 -6.193 -11.556 2.589 1.00 0.01 O ATOM 0 H GLY A 134 -6.411 -14.784 2.898 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.861 -14.037 1.350 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.162 -13.636 0.246 1.00 0.01 H new ATOM 2091 N THR A 135 -4.902 -11.314 0.816 1.00 0.01 N ATOM 2092 CA THR A 135 -4.686 -9.852 1.079 1.00 0.01 C ATOM 2093 C THR A 135 -5.374 -9.030 -0.016 1.00 0.01 C ATOM 2094 O THR A 135 -5.455 -9.445 -1.155 1.00 0.01 O ATOM 2095 CB THR A 135 -3.182 -9.554 1.072 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.501 -10.559 1.811 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.925 -8.189 1.712 1.00 2.30 C ATOM 0 H THR A 135 -4.427 -11.674 -0.012 1.00 0.01 H new ATOM 0 HA THR A 135 -5.107 -9.588 2.049 1.00 0.01 H new ATOM 0 HB THR A 135 -2.818 -9.544 0.044 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.539 -10.373 1.807 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.855 -7.980 1.706 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.449 -7.418 1.147 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.287 -8.195 2.740 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.881 -7.868 0.329 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.585 -7.002 -0.674 1.00 0.01 C ATOM 2107 C TRP A 136 -6.040 -5.569 -0.615 1.00 0.01 C ATOM 2108 O TRP A 136 -5.703 -5.062 0.433 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.085 -6.979 -0.362 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.711 -8.276 -0.771 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.665 -9.423 -0.055 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.476 -8.574 -1.976 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.360 -10.403 -0.740 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.875 -9.930 -1.929 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.859 -7.808 -3.092 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.630 -10.505 -2.955 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.616 -8.386 -4.124 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.001 -9.730 -4.054 1.00 0.01 C ATOM 0 H TRP A 136 -5.837 -7.479 1.271 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.416 -7.409 -1.671 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.241 -6.810 0.703 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.562 -6.153 -0.889 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.168 -9.552 0.895 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.478 -11.360 -0.406 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.569 -6.770 -3.155 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.924 -11.543 -2.897 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.903 -7.790 -4.977 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.585 -10.167 -4.851 1.00 0.01 H new ATOM 2129 N ILE A 137 -5.990 -4.896 -1.739 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.512 -3.475 -1.768 1.00 0.00 C ATOM 2131 C ILE A 137 -6.677 -2.606 -2.241 1.00 0.01 C ATOM 2132 O ILE A 137 -7.401 -2.981 -3.136 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.361 -3.328 -2.772 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.264 -4.345 -2.457 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.777 -1.914 -2.677 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.135 -4.198 -3.479 1.00 1.69 C ATOM 0 H ILE A 137 -6.262 -5.273 -2.647 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.165 -3.178 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.741 -3.504 -3.778 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -2.882 -4.185 -1.449 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.669 -5.356 -2.487 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -2.959 -1.809 -3.390 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.553 -1.184 -2.905 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.403 -1.742 -1.668 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.349 -4.921 -3.260 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.525 -4.379 -4.481 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.725 -3.189 -3.426 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.832 -1.428 -1.672 1.00 0.01 N ATOM 2149 CA PHE A 138 -7.926 -0.493 -2.119 1.00 0.01 C ATOM 2150 C PHE A 138 -7.263 0.734 -2.738 1.00 0.01 C ATOM 2151 O PHE A 138 -6.233 1.182 -2.279 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.859 -0.129 -0.923 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.545 1.211 -0.249 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.657 2.430 -0.949 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.189 1.231 1.110 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.402 3.642 -0.296 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -7.942 2.450 1.759 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.044 3.652 1.055 1.00 2.49 C ATOM 0 H PHE A 138 -6.247 -1.072 -0.916 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.564 -0.966 -2.865 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.890 -0.109 -1.277 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.794 -0.920 -0.176 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -8.940 2.429 -1.991 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.105 0.304 1.657 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.482 4.573 -0.838 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.673 2.459 2.805 1.00 2.01 H new ATOM 0 HZ PHE A 138 -7.846 4.589 1.554 1.00 2.49 H new ATOM 2168 N TYR A 139 -7.857 1.287 -3.773 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.280 2.503 -4.435 1.00 0.01 C ATOM 2170 C TYR A 139 -8.324 3.626 -4.413 1.00 0.01 C ATOM 2171 O TYR A 139 -9.523 3.381 -4.478 1.00 0.01 O ATOM 2172 CB TYR A 139 -6.911 2.179 -5.886 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.111 0.894 -5.934 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.750 -0.332 -5.717 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.735 0.928 -6.199 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.017 -1.523 -5.763 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.001 -0.266 -6.246 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.643 -1.491 -6.027 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.920 -2.667 -6.075 1.00 0.00 O ATOM 0 H TYR A 139 -8.723 0.945 -4.189 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.384 2.818 -3.901 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.814 2.079 -6.488 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.331 2.996 -6.315 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.810 -0.359 -5.514 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.240 1.873 -6.367 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.512 -2.468 -5.595 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -2.941 -0.241 -6.451 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.981 -2.466 -6.270 1.00 0.00 H new ATOM 2189 N GLU A 140 -7.879 4.849 -4.259 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.828 5.998 -4.148 1.00 0.02 C ATOM 2191 C GLU A 140 -9.461 6.354 -5.496 1.00 0.01 C ATOM 2192 O GLU A 140 -10.572 6.844 -5.527 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.041 7.203 -3.633 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.013 8.328 -3.267 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.233 9.509 -2.683 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.021 9.515 -2.816 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.861 10.386 -2.113 1.00 0.02 O ATOM 0 H GLU A 140 -6.892 5.101 -4.205 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.636 5.722 -3.470 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.451 6.920 -2.762 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.341 7.546 -4.395 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.567 8.646 -4.150 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.745 7.969 -2.544 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.791 6.137 -6.609 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.402 6.497 -7.938 1.00 0.02 C ATOM 2206 C LEU A 141 -9.626 5.210 -8.759 1.00 0.01 C ATOM 2207 O LEU A 141 -8.924 4.228 -8.574 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.428 7.427 -8.690 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.606 8.886 -8.218 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.328 9.680 -8.507 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.778 9.552 -8.958 1.00 1.24 C ATOM 0 H LEU A 141 -7.857 5.730 -6.656 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.357 7.001 -7.791 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.401 7.105 -8.518 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.607 7.361 -9.763 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.812 8.879 -7.148 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.456 10.710 -8.173 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.491 9.228 -7.976 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.127 9.668 -9.578 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -9.889 10.580 -8.613 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.581 9.548 -10.030 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.696 9.000 -8.756 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.588 5.207 -9.668 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.866 3.997 -10.491 1.00 0.01 C ATOM 2225 C PRO A 142 -9.621 3.485 -11.223 1.00 0.01 C ATOM 2226 O PRO A 142 -8.611 4.151 -11.333 1.00 0.01 O ATOM 2227 CB PRO A 142 -11.939 4.496 -11.487 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.160 6.003 -11.250 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.463 6.390 -9.937 1.00 0.01 C ATOM 0 HA PRO A 142 -11.190 3.149 -9.888 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.617 4.317 -12.513 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.871 3.949 -11.346 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.755 6.582 -12.080 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.225 6.227 -11.195 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -10.883 7.307 -10.041 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.179 6.555 -9.132 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.734 2.296 -11.740 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.616 1.677 -12.504 1.00 0.01 C ATOM 2239 C ASN A 143 -7.362 1.551 -11.638 1.00 0.01 C ATOM 2240 O ASN A 143 -6.249 1.581 -12.122 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.301 2.545 -13.723 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.605 2.969 -14.401 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.648 2.400 -14.148 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -9.590 3.953 -15.257 1.00 0.56 N ATOM 0 H ASN A 143 -10.569 1.716 -11.664 1.00 0.01 H new ATOM 0 HA ASN A 143 -8.921 0.678 -12.817 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.734 3.425 -13.419 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.677 1.991 -14.425 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -10.454 4.245 -15.714 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -8.714 4.431 -15.469 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.543 1.370 -10.358 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.383 1.193 -9.438 1.00 0.02 C ATOM 2253 C TYR A 144 -5.430 2.394 -9.512 1.00 0.01 C ATOM 2254 O TYR A 144 -4.237 2.237 -9.683 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.632 -0.094 -9.824 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.625 -1.103 -10.360 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.730 -1.470 -9.584 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.448 -1.662 -11.633 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.657 -2.397 -10.079 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.375 -2.587 -12.128 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.480 -2.954 -11.351 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.394 -3.867 -11.839 1.00 0.01 O ATOM 0 H TYR A 144 -8.456 1.337 -9.905 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.752 1.120 -8.415 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.874 0.124 -10.576 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.113 -0.501 -8.957 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.868 -1.039 -8.604 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.596 -1.379 -12.233 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.508 -2.682 -9.479 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.238 -3.017 -13.109 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.123 -4.154 -12.736 1.00 0.01 H new ATOM 2272 N ARG A 145 -5.953 3.590 -9.375 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.081 4.815 -9.428 1.00 0.01 C ATOM 2274 C ARG A 145 -5.270 5.633 -8.149 1.00 0.01 C ATOM 2275 O ARG A 145 -6.214 5.433 -7.412 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.487 5.681 -10.625 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.563 4.828 -11.899 1.00 0.02 C ATOM 2278 CD ARG A 145 -4.169 4.321 -12.287 1.00 0.01 C ATOM 2279 NE ARG A 145 -3.186 5.439 -12.217 1.00 0.01 N ATOM 2280 CZ ARG A 145 -1.906 5.183 -12.210 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -1.487 3.948 -12.269 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -1.044 6.162 -12.146 1.00 0.01 N ATOM 0 H ARG A 145 -6.946 3.774 -9.229 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.040 4.508 -9.525 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.453 6.148 -10.434 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -4.765 6.486 -10.761 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -6.233 3.983 -11.739 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.983 5.417 -12.714 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -3.866 3.516 -11.618 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -4.191 3.906 -13.295 1.00 0.01 H new ATOM 0 HE ARG A 145 -3.513 6.404 -12.175 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -2.160 3.183 -12.321 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -0.487 3.748 -12.264 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -1.371 7.127 -12.101 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -0.044 5.961 -12.141 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.369 6.540 -7.861 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.487 7.363 -6.620 1.00 0.02 C ATOM 2298 C GLY A 146 -3.764 6.667 -5.463 1.00 0.01 C ATOM 2299 O GLY A 146 -2.990 5.752 -5.656 1.00 0.02 O ATOM 0 H GLY A 146 -3.552 6.746 -8.437 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.058 8.351 -6.786 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.537 7.509 -6.369 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.013 7.107 -4.259 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.345 6.489 -3.078 1.00 0.01 C ATOM 2305 C ARG A 147 -3.871 5.067 -2.896 1.00 0.01 C ATOM 2306 O ARG A 147 -5.030 4.774 -3.127 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.664 7.320 -1.834 1.00 0.01 C ATOM 2308 CG ARG A 147 -2.745 6.895 -0.687 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.134 7.650 0.585 1.00 0.01 C ATOM 2310 NE ARG A 147 -3.361 9.087 0.264 1.00 0.02 N ATOM 2311 CZ ARG A 147 -3.987 9.855 1.113 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.409 9.367 2.248 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -4.190 11.113 0.828 1.00 0.02 N ATOM 0 H ARG A 147 -4.653 7.871 -4.042 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.266 6.460 -3.229 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.530 8.380 -2.048 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.707 7.182 -1.549 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -2.824 5.820 -0.523 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.706 7.103 -0.943 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -4.036 7.216 1.016 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.346 7.554 1.332 1.00 0.01 H new ATOM 0 HE ARG A 147 -3.027 9.471 -0.620 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -4.249 8.385 2.472 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.898 9.968 2.911 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -3.859 11.495 -0.058 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -4.679 11.714 1.491 1.00 0.02 H new ATOM 2327 N GLN A 148 -2.990 4.171 -2.511 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.360 2.734 -2.334 1.00 0.01 C ATOM 2329 C GLN A 148 -3.149 2.328 -0.866 1.00 0.01 C ATOM 2330 O GLN A 148 -2.270 2.832 -0.195 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.428 1.898 -3.231 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.088 2.686 -4.501 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.507 1.740 -5.554 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -1.014 0.679 -5.228 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -1.547 2.082 -6.812 1.00 0.01 N ATOM 0 H GLN A 148 -2.013 4.383 -2.309 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.404 2.571 -2.602 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.515 1.649 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -2.909 0.956 -3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -2.983 3.173 -4.889 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.371 3.474 -4.271 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -1.961 2.973 -7.085 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.164 1.458 -7.522 1.00 0.01 H new ATOM 2344 N TYR A 149 -3.947 1.414 -0.375 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.812 0.942 1.043 1.00 0.01 C ATOM 2346 C TYR A 149 -3.744 -0.593 1.058 1.00 0.01 C ATOM 2347 O TYR A 149 -4.410 -1.252 0.281 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.028 1.424 1.854 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.627 1.711 3.290 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.259 0.659 4.139 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.623 3.028 3.769 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.887 0.924 5.462 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.252 3.290 5.093 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.885 2.239 5.939 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.522 2.499 7.244 1.00 0.01 O ATOM 0 H TYR A 149 -4.698 0.967 -0.901 1.00 0.01 H new ATOM 0 HA TYR A 149 -2.902 1.346 1.487 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.443 2.323 1.399 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.811 0.666 1.833 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.262 -0.357 3.772 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.906 3.841 3.117 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.601 0.113 6.115 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.249 4.305 5.462 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.220 3.428 7.321 1.00 0.01 H new ATOM 2365 N LEU A 150 -2.945 -1.161 1.926 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.821 -2.654 1.986 1.00 0.01 C ATOM 2367 C LEU A 150 -3.760 -3.202 3.069 1.00 0.01 C ATOM 2368 O LEU A 150 -3.644 -2.867 4.230 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.362 -2.993 2.332 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.043 -4.473 1.970 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -0.261 -4.536 0.651 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -0.196 -5.116 3.076 1.00 0.01 C ATOM 0 H LEU A 150 -2.370 -0.655 2.599 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.094 -3.102 1.031 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.690 -2.327 1.790 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.187 -2.827 3.395 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.985 -5.012 1.867 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -0.043 -5.576 0.407 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -0.857 -4.093 -0.147 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.673 -3.984 0.755 1.00 0.01 H new ATOM 0 HD21 LEU A 150 0.021 -6.151 2.813 1.00 0.01 H new ATOM 0 HD22 LEU A 150 0.738 -4.566 3.185 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -0.745 -5.089 4.017 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.694 -4.047 2.689 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.657 -4.632 3.676 1.00 0.01 C ATOM 2386 C LEU A 151 -5.313 -6.099 3.951 1.00 0.01 C ATOM 2387 O LEU A 151 -5.131 -6.883 3.038 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.073 -4.557 3.099 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.336 -3.154 2.544 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.803 -3.042 2.119 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.028 -2.108 3.623 1.00 0.01 C ATOM 0 H LEU A 151 -4.829 -4.358 1.727 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.595 -4.069 4.607 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.193 -5.298 2.309 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.803 -4.794 3.873 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.695 -2.978 1.680 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -8.992 -2.044 1.724 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.016 -3.784 1.349 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.446 -3.219 2.981 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.216 -1.110 3.227 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.667 -2.280 4.489 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -5.983 -2.189 3.921 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.257 -6.485 5.201 1.00 0.01 N ATOM 2404 CA ASP A 152 -4.960 -7.911 5.554 1.00 0.01 C ATOM 2405 C ASP A 152 -6.234 -8.546 6.119 1.00 0.00 C ATOM 2406 O ASP A 152 -7.239 -7.885 6.275 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.858 -7.952 6.614 1.00 1.04 C ATOM 2408 CG ASP A 152 -4.221 -7.018 7.769 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -4.648 -5.908 7.495 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -4.067 -7.427 8.909 1.00 1.57 O ATOM 0 H ASP A 152 -5.405 -5.869 6.000 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.629 -8.456 4.670 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.732 -8.970 6.982 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -2.906 -7.651 6.175 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.206 -9.818 6.432 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.429 -10.468 6.992 1.00 0.01 C ATOM 2417 C LYS A 153 -7.871 -9.685 8.230 1.00 0.01 C ATOM 2418 O LYS A 153 -7.481 -9.999 9.338 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.105 -11.912 7.393 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.575 -12.682 6.180 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.884 -13.965 6.651 1.00 0.72 C ATOM 2422 CE LYS A 153 -5.264 -14.685 5.453 1.00 1.09 C ATOM 2423 NZ LYS A 153 -6.337 -15.355 4.668 1.00 1.84 N ATOM 0 H LYS A 153 -5.396 -10.429 6.325 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.224 -10.473 6.246 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.364 -11.919 8.192 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.998 -12.400 7.783 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.395 -12.925 5.504 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.873 -12.063 5.621 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -5.113 -13.726 7.383 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.604 -14.616 7.147 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -4.729 -13.973 4.824 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.535 -15.420 5.794 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -5.921 -15.817 3.834 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -6.806 -16.069 5.261 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -7.035 -14.648 4.360 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.655 -8.646 8.054 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.089 -7.819 9.231 1.00 0.01 C ATOM 2439 C LYS A 154 -10.578 -7.463 9.152 1.00 0.01 C ATOM 2440 O LYS A 154 -11.216 -7.585 8.122 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.264 -6.524 9.258 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.835 -6.812 9.759 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.788 -6.773 11.292 1.00 0.97 C ATOM 2444 CE LYS A 154 -5.342 -6.940 11.762 1.00 1.44 C ATOM 2445 NZ LYS A 154 -5.267 -6.706 13.231 1.00 2.28 N ATOM 0 H LYS A 154 -9.013 -8.335 7.151 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.928 -8.402 10.138 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.226 -6.088 8.260 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.744 -5.792 9.908 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.508 -7.789 9.404 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.144 -6.076 9.349 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.193 -5.828 11.655 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.410 -7.567 11.706 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -4.984 -7.942 11.524 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.694 -6.237 11.238 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -4.284 -6.819 13.551 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -5.592 -5.742 13.446 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -5.873 -7.393 13.723 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.111 -6.979 10.249 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.540 -6.548 10.302 1.00 0.01 C ATOM 2461 C GLU A 155 -12.563 -5.029 10.515 1.00 0.01 C ATOM 2462 O GLU A 155 -12.261 -4.545 11.588 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.246 -7.245 11.471 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.842 -8.723 11.514 1.00 0.01 C ATOM 2465 CD GLU A 155 -11.441 -8.862 12.113 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -10.880 -7.851 12.503 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -10.952 -9.978 12.170 1.00 0.01 O ATOM 0 H GLU A 155 -10.603 -6.863 11.126 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.054 -6.812 9.378 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -12.981 -6.759 12.410 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.327 -7.157 11.360 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.559 -9.288 12.109 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.861 -9.144 10.509 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.893 -4.267 9.500 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.905 -2.778 9.644 1.00 0.01 C ATOM 2476 C TYR A 156 -14.332 -2.282 9.884 1.00 0.01 C ATOM 2477 O TYR A 156 -15.193 -2.417 9.039 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.344 -2.151 8.365 1.00 0.01 C ATOM 2479 CG TYR A 156 -10.933 -2.643 8.143 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.874 -2.086 8.872 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.683 -3.657 7.211 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.567 -2.542 8.668 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.375 -4.115 7.008 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.317 -3.556 7.736 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.028 -4.006 7.537 1.00 0.01 O ATOM 0 H TYR A 156 -13.155 -4.613 8.577 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.290 -2.490 10.497 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -12.971 -2.413 7.513 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.354 -1.064 8.445 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.067 -1.304 9.592 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.499 -4.086 6.648 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.751 -2.112 9.230 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.182 -4.899 6.290 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.029 -4.712 6.858 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.600 -1.738 11.044 1.00 0.01 N ATOM 2496 CA ARG A 157 -15.987 -1.275 11.350 1.00 0.01 C ATOM 2497 C ARG A 157 -16.169 0.198 10.987 1.00 0.00 C ATOM 2498 O ARG A 157 -17.269 0.631 10.709 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.253 -1.455 12.846 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.092 -0.860 13.645 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.457 -0.827 15.131 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.245 -0.504 15.936 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.370 -0.127 17.178 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.554 -0.036 17.717 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.309 0.157 17.883 1.00 0.01 N ATOM 0 H ARG A 157 -13.920 -1.595 11.791 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.687 -1.866 10.760 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.187 -0.965 13.122 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.366 -2.513 13.082 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.191 -1.454 13.494 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.872 0.147 13.291 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.233 -0.083 15.309 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -15.863 -1.791 15.438 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.319 -0.578 15.516 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.383 -0.260 17.167 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.651 0.259 18.689 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.383 0.084 17.462 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -13.406 0.452 18.855 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.111 0.976 10.974 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.231 2.428 10.612 1.00 0.01 C ATOM 2521 C LYS A 158 -14.256 2.723 9.458 1.00 0.01 C ATOM 2522 O LYS A 158 -13.248 2.061 9.327 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.852 3.271 11.838 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.056 3.387 12.777 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.652 4.167 14.029 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.807 4.160 15.032 1.00 2.13 C ATOM 2527 NZ LYS A 158 -16.368 4.810 16.299 1.00 2.54 N ATOM 0 H LYS A 158 -14.165 0.667 11.199 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.249 2.668 10.305 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.013 2.812 12.362 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.527 4.263 11.523 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.879 3.892 12.270 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.413 2.395 13.053 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -14.765 3.720 14.478 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.393 5.192 13.764 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.666 4.689 14.618 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -17.127 3.136 15.228 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -17.153 4.806 16.981 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -15.561 4.287 16.696 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -16.083 5.791 16.105 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.516 3.718 8.638 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.574 4.049 7.527 1.00 0.02 C ATOM 2543 C PRO A 159 -12.198 4.443 8.083 1.00 0.01 C ATOM 2544 O PRO A 159 -11.173 4.056 7.554 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.285 5.227 6.836 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.423 5.704 7.757 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.733 4.572 8.746 1.00 0.28 C ATOM 0 HA PRO A 159 -13.371 3.221 6.847 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.582 6.038 6.648 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.682 4.918 5.869 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.129 6.608 8.291 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.308 5.953 7.172 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.880 4.946 9.759 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.637 4.029 8.472 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.154 5.205 9.135 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.835 5.602 9.699 1.00 0.02 C ATOM 2557 C VAL A 160 -10.086 4.341 10.134 1.00 0.02 C ATOM 2558 O VAL A 160 -8.881 4.347 10.282 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.051 6.514 10.908 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.699 6.854 11.541 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -11.738 7.804 10.457 1.00 0.74 C ATOM 0 H VAL A 160 -12.969 5.570 9.628 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.254 6.137 8.947 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.677 6.003 11.639 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.854 7.504 12.402 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.207 5.936 11.863 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.073 7.364 10.809 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -11.892 8.454 11.318 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.111 8.313 9.725 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.701 7.565 10.006 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.783 3.258 10.339 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.083 2.014 10.760 1.00 0.01 C ATOM 2573 C ASP A 161 -9.161 1.531 9.633 1.00 0.01 C ATOM 2574 O ASP A 161 -8.268 0.736 9.847 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.115 0.926 11.081 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.457 -0.176 11.914 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.266 -0.387 11.749 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.155 -0.790 12.703 1.00 0.00 O ATOM 0 H ASP A 161 -11.795 3.181 10.235 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.487 2.221 11.649 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.954 1.357 11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.516 0.508 10.158 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.355 2.030 8.433 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.468 1.622 7.294 1.00 0.01 C ATOM 2585 C TRP A 162 -7.366 2.681 7.148 1.00 0.01 C ATOM 2586 O TRP A 162 -6.625 2.676 6.187 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.278 1.578 5.966 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.687 0.188 5.530 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.099 -1.002 5.851 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.783 -0.145 4.628 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.781 -2.023 5.212 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.824 -1.546 4.448 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -11.744 0.636 3.958 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.780 -2.152 3.633 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -12.708 0.031 3.135 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.725 -1.360 2.973 1.00 0.01 C ATOM 0 H TRP A 162 -10.086 2.700 8.194 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.051 0.635 7.494 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.174 2.188 6.081 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.681 2.033 5.175 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.243 -1.126 6.497 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.540 -3.011 5.297 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -11.740 1.709 4.078 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.790 -3.225 3.512 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.439 0.641 2.625 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.468 -1.821 2.339 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.230 3.572 8.086 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.155 4.593 7.973 1.00 0.01 C ATOM 2609 C GLY A 163 -6.566 5.684 6.982 1.00 0.01 C ATOM 2610 O GLY A 163 -5.760 6.490 6.560 1.00 0.01 O ATOM 0 H GLY A 163 -7.812 3.638 8.921 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -5.958 5.034 8.950 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.229 4.122 7.643 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.815 5.697 6.583 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.281 6.712 5.589 1.00 0.02 C ATOM 2616 C ALA A 164 -8.996 7.858 6.301 1.00 0.01 C ATOM 2617 O ALA A 164 -9.725 7.663 7.253 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.278 6.044 4.642 1.00 0.01 C ATOM 0 H ALA A 164 -8.532 5.047 6.904 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.420 7.101 5.045 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.628 6.772 3.910 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.791 5.216 4.127 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.126 5.667 5.213 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.792 9.058 5.830 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.450 10.239 6.451 1.00 0.01 C ATOM 2626 C ALA A 165 -10.860 10.408 5.879 1.00 0.02 C ATOM 2627 O ALA A 165 -11.637 11.208 6.363 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.637 11.500 6.156 1.00 0.59 C ATOM 0 H ALA A 165 -8.191 9.271 5.034 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.508 10.084 7.528 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.123 12.362 6.613 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.633 11.390 6.566 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.574 11.648 5.078 1.00 0.59 H new ATOM 2634 N SER A 166 -11.216 9.654 4.865 1.00 0.01 N ATOM 2635 CA SER A 166 -12.589 9.763 4.279 1.00 0.01 C ATOM 2636 C SER A 166 -13.052 8.358 3.836 1.00 0.02 C ATOM 2637 O SER A 166 -12.233 7.536 3.477 1.00 0.01 O ATOM 2638 CB SER A 166 -12.549 10.689 3.063 1.00 0.72 C ATOM 2639 OG SER A 166 -11.451 10.329 2.236 1.00 0.87 O ATOM 0 H SER A 166 -10.611 8.965 4.417 1.00 0.01 H new ATOM 0 HA SER A 166 -13.279 10.167 5.020 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.481 10.614 2.503 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.453 11.726 3.384 1.00 0.72 H new ATOM 0 HG SER A 166 -11.423 10.919 1.454 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.341 8.067 3.838 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.821 6.718 3.399 1.00 0.01 C ATOM 2647 C PRO A 167 -14.780 6.552 1.873 1.00 0.01 C ATOM 2648 O PRO A 167 -15.485 5.732 1.313 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.272 6.728 3.902 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.688 8.197 4.064 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.406 9.022 4.274 1.00 0.22 C ATOM 0 HA PRO A 167 -14.210 5.900 3.781 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -16.927 6.219 3.195 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.353 6.198 4.851 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.226 8.543 3.181 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.362 8.313 4.913 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.406 9.933 3.676 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.282 9.324 5.314 1.00 0.22 H new ATOM 2659 N ALA A 168 -13.996 7.342 1.194 1.00 0.01 N ATOM 2660 CA ALA A 168 -13.966 7.236 -0.294 1.00 0.01 C ATOM 2661 C ALA A 168 -13.045 6.100 -0.757 1.00 0.01 C ATOM 2662 O ALA A 168 -11.863 6.065 -0.480 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.462 8.554 -0.883 1.00 0.18 C ATOM 0 H ALA A 168 -13.381 8.049 1.597 1.00 0.01 H new ATOM 0 HA ALA A 168 -14.978 7.022 -0.639 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.438 8.481 -1.970 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.130 9.363 -0.588 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.458 8.758 -0.511 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.625 5.188 -1.495 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.884 4.019 -2.059 1.00 0.01 C ATOM 2671 C ILE A 169 -13.472 3.778 -3.449 1.00 0.01 C ATOM 2672 O ILE A 169 -14.673 3.659 -3.591 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.117 2.763 -1.188 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.929 3.069 0.315 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.147 1.660 -1.608 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -11.444 3.254 0.663 1.00 3.99 C ATOM 0 H ILE A 169 -14.616 5.207 -1.738 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.812 4.214 -2.091 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.146 2.436 -1.340 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -13.482 3.971 0.577 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.346 2.256 0.909 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.313 0.776 -0.993 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.313 1.409 -2.656 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.122 2.007 -1.476 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -11.344 3.468 1.727 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -10.898 2.342 0.423 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.036 4.084 0.086 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.658 3.748 -4.485 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.199 3.563 -5.876 1.00 0.01 C ATOM 2690 C GLN A 170 -12.796 2.215 -6.492 1.00 0.02 C ATOM 2691 O GLN A 170 -13.446 1.759 -7.412 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.688 4.703 -6.765 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.468 5.992 -6.463 1.00 3.39 C ATOM 2694 CD GLN A 170 -13.484 6.252 -4.955 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -12.468 6.151 -4.299 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -14.604 6.585 -4.372 1.00 5.17 N ATOM 0 H GLN A 170 -11.644 3.844 -4.427 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.287 3.576 -5.812 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.624 4.862 -6.591 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -12.803 4.436 -7.816 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.009 6.834 -6.981 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -14.488 5.906 -6.836 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.459 6.671 -4.921 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -14.624 6.760 -3.367 1.00 5.17 H new ATOM 2705 N SER A 171 -11.765 1.544 -6.038 1.00 0.01 N ATOM 2706 CA SER A 171 -11.433 0.233 -6.685 1.00 0.01 C ATOM 2707 C SER A 171 -10.618 -0.634 -5.721 1.00 0.01 C ATOM 2708 O SER A 171 -10.020 -0.144 -4.785 1.00 0.01 O ATOM 2709 CB SER A 171 -10.619 0.487 -7.954 1.00 0.01 C ATOM 2710 OG SER A 171 -9.244 0.592 -7.616 1.00 0.02 O ATOM 0 H SER A 171 -11.156 1.833 -5.273 1.00 0.01 H new ATOM 0 HA SER A 171 -12.357 -0.287 -6.938 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.770 -0.325 -8.665 1.00 0.01 H new ATOM 0 HB3 SER A 171 -10.957 1.402 -8.440 1.00 0.01 H new ATOM 0 HG SER A 171 -8.861 1.385 -8.046 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.570 -1.926 -5.958 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.762 -2.818 -5.066 1.00 0.01 C ATOM 2718 C PHE A 172 -9.304 -4.068 -5.826 1.00 0.01 C ATOM 2719 O PHE A 172 -9.914 -4.479 -6.794 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.560 -3.216 -3.812 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.961 -3.678 -4.163 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.157 -4.904 -4.814 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.067 -2.893 -3.806 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.454 -5.339 -5.112 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.363 -3.333 -4.101 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.556 -4.555 -4.755 1.00 1.92 C ATOM 0 H PHE A 172 -11.051 -2.397 -6.724 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.881 -2.262 -4.745 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.035 -4.013 -3.284 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.617 -2.366 -3.132 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.307 -5.513 -5.086 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.919 -1.949 -3.303 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.604 -6.281 -5.618 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.214 -2.729 -3.824 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.556 -4.893 -4.984 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.218 -4.668 -5.398 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.697 -5.885 -6.100 1.00 0.01 C ATOM 2738 C ARG A 173 -7.093 -6.865 -5.093 1.00 0.01 C ATOM 2739 O ARG A 173 -6.587 -6.485 -4.055 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.589 -5.483 -7.077 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.128 -4.521 -8.140 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.191 -4.530 -9.354 1.00 0.01 C ATOM 2743 NE ARG A 173 -6.421 -5.772 -10.146 1.00 0.01 N ATOM 2744 CZ ARG A 173 -5.951 -5.868 -11.359 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -5.281 -4.876 -11.879 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -6.151 -6.953 -12.053 1.00 0.01 N ATOM 0 H ARG A 173 -7.670 -4.367 -4.592 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.528 -6.353 -6.627 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.771 -5.011 -6.533 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.181 -6.372 -7.557 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.133 -4.818 -8.440 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.202 -3.513 -7.731 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.372 -3.652 -9.973 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.153 -4.481 -9.026 1.00 0.01 H new ATOM 0 HE ARG A 173 -6.946 -6.546 -9.739 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -5.125 -4.026 -11.337 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -4.913 -4.951 -12.827 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -6.676 -7.728 -11.648 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -5.783 -7.027 -13.001 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.130 -8.131 -5.412 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.547 -9.163 -4.506 1.00 0.01 C ATOM 2762 C ARG A 174 -5.059 -9.335 -4.835 1.00 0.01 C ATOM 2763 O ARG A 174 -4.663 -9.300 -5.983 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.261 -10.500 -4.721 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.411 -10.768 -6.220 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.915 -12.196 -6.438 1.00 0.01 C ATOM 2767 NE ARG A 174 -8.378 -12.350 -7.846 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.572 -13.541 -8.343 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.360 -14.599 -7.609 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -8.979 -13.677 -9.575 1.00 0.01 N ATOM 0 H ARG A 174 -7.543 -8.498 -6.270 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.669 -8.847 -3.470 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.695 -11.305 -4.252 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.241 -10.481 -4.245 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -8.108 -10.054 -6.659 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.454 -10.629 -6.722 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.120 -12.910 -6.225 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.731 -12.414 -5.750 1.00 0.01 H new ATOM 0 HE ARG A 174 -8.543 -11.524 -8.422 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.042 -14.496 -6.645 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -8.512 -15.529 -7.999 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -9.146 -12.852 -10.151 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -9.130 -14.608 -9.962 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.232 -9.541 -3.842 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.772 -9.738 -4.116 1.00 0.01 C ATOM 2786 C ILE A 175 -2.482 -11.235 -4.248 1.00 0.00 C ATOM 2787 O ILE A 175 -2.844 -12.020 -3.394 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.921 -9.170 -2.977 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.392 -7.756 -2.623 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.459 -9.116 -3.428 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.440 -7.143 -1.588 1.00 3.04 C ATOM 0 H ILE A 175 -4.500 -9.582 -2.859 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.521 -9.216 -5.039 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.021 -9.809 -2.099 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.420 -7.136 -3.519 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.406 -7.788 -2.225 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.155 -8.713 -2.623 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.118 -10.121 -3.676 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.373 -8.476 -4.306 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.775 -6.137 -1.336 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.434 -7.759 -0.689 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.433 -7.097 -2.002 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.830 -11.639 -5.313 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.511 -13.090 -5.507 1.00 0.00 C ATOM 2805 C VAL A 176 -0.066 -13.237 -5.990 1.00 0.01 C ATOM 2806 O VAL A 176 0.446 -12.403 -6.710 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.444 -13.685 -6.562 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.178 -15.185 -6.689 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.899 -13.460 -6.145 1.00 1.89 C ATOM 0 H VAL A 176 -1.504 -11.024 -6.059 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.642 -13.613 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.262 -13.200 -7.521 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.843 -15.610 -7.441 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -1.142 -15.347 -6.987 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.359 -15.669 -5.729 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.563 -13.885 -6.898 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -4.082 -13.944 -5.186 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -4.090 -12.391 -6.054 1.00 1.89 H new ATOM 2819 N GLU A 177 0.593 -14.294 -5.601 1.00 0.01 N ATOM 2820 CA GLU A 177 2.004 -14.505 -6.034 1.00 0.01 C ATOM 2821 C GLU A 177 2.414 -15.951 -5.750 1.00 0.01 C ATOM 2822 CB GLU A 177 2.922 -13.555 -5.263 1.00 2.15 C ATOM 2823 CG GLU A 177 4.293 -13.510 -5.937 1.00 3.19 C ATOM 2824 CD GLU A 177 4.188 -12.745 -7.258 1.00 4.20 C ATOM 2825 OE1 GLU A 177 3.798 -11.589 -7.222 1.00 4.89 O ATOM 2826 OE2 GLU A 177 4.499 -13.328 -8.283 1.00 4.77 O ATOM 0 H GLU A 177 0.213 -15.024 -4.999 1.00 0.01 H new ATOM 0 HA GLU A 177 2.089 -14.306 -7.102 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.487 -12.556 -5.234 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.024 -13.889 -4.230 1.00 2.15 H new ATOM 0 HG2 GLU A 177 5.017 -13.026 -5.281 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.654 -14.522 -6.119 1.00 3.19 H new TER 2833 GLU A 177