USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=46 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 106 GLN :FLIP amide:sc= -4.15! C(o=-8.5!,f=-5.4!) USER MOD Set 1.2: A 108 TYR OH : rot 64:sc= -1.27! USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 22 CYS SG : rot -104:sc= 2.14 USER MOD Set 3.2: A 26 CYS SG : rot 101:sc= 0.686 USER MOD Set 4.1: A 14 ASN : amide:sc= -0.155 X(o=-0.21,f=-0.57) USER MOD Set 4.2: A 16 GLN : amide:sc= -0.0599 K(o=-0.21,f=-1.6!) USER MOD Set 5.1: A 8 SER OG : rot 98:sc= 0.981 USER MOD Set 5.2: A 10 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -0.14 (180deg=-0.847) USER MOD Single : A 3 THR OG1 : rot -7:sc= 0.617 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -68:sc= -0.559! USER MOD Single : A 31 SER OG : rot -17:sc= 0.192 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -35:sc= 0.197 USER MOD Single : A 36 CYS SG : rot 19:sc= -2.87! USER MOD Single : A 37 ASN :FLIP amide:sc= -0.684 F(o=-5.4!,f=-0.68) USER MOD Single : A 38 SER OG : rot 54:sc= 1.21 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.12) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0868 USER MOD Single : A 57 HIS : no HD1:sc= -1.04! C(o=-1!,f=-6.4!) USER MOD Single : A 58 MET CE :methyl 168:sc= -0.63 (180deg=-0.872) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.09 K(o=-1.1,f=-3!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0966 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.55! C(o=-2.5!,f=-5.8!) USER MOD Single : A 81 SER OG : rot -138:sc= -1.77! USER MOD Single : A 82 CYS SG : rot -18:sc= -1.08! USER MOD Single : A 86 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.07) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.28 USER MOD Single : A 92 GLN : amide:sc= -0.0501 K(o=-0.05,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ -114:sc= -1.86 (180deg=-4.17!) USER MOD Single : A 96 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.7!) USER MOD Single : A 100 LYS NZ :NH3+ -157:sc= -0.0434 (180deg=-0.535) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.258 F(o=-2.9!,f=-0.26) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 117:sc= -1.19! USER MOD Single : A 116 SER OG : rot 130:sc= -0.16 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.213 F(o=-2.5!,f=-0.21) USER MOD Single : A 122 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.29) USER MOD Single : A 127 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-4.9!) USER MOD Single : A 128 SER OG : rot 40:sc= -2.17! USER MOD Single : A 129 CYS SG : rot 35:sc= -0.788 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 178:sc= -0.514 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 143 ASN : amide:sc= -0.69 K(o=-0.69,f=-2.7!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.798 X(o=-0.8,f=-0.8) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 158 LYS NZ :NH3+ 161:sc=-0.000629 (180deg=-0.558) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.12) USER MOD Single : A 171 SER OG : rot -136:sc= -0.764 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.317 -19.438 8.852 1.00 4.50 N ATOM 2 CA SER A 1 15.257 -19.625 7.373 1.00 4.52 C ATOM 3 C SER A 1 16.400 -18.848 6.715 1.00 3.57 C ATOM 4 O SER A 1 16.366 -17.637 6.619 1.00 3.03 O ATOM 5 CB SER A 1 13.919 -19.105 6.846 1.00 4.81 C ATOM 6 OG SER A 1 13.807 -19.415 5.463 1.00 5.28 O ATOM 0 H1 SER A 1 14.541 -19.965 9.300 1.00 4.50 H new ATOM 0 H2 SER A 1 16.228 -19.791 9.210 1.00 4.50 H new ATOM 0 H3 SER A 1 15.224 -18.427 9.078 1.00 4.50 H new ATOM 0 HA SER A 1 15.353 -20.685 7.137 1.00 4.52 H new ATOM 0 HB2 SER A 1 13.096 -19.557 7.400 1.00 4.81 H new ATOM 0 HB3 SER A 1 13.850 -18.028 6.996 1.00 4.81 H new ATOM 0 HG SER A 1 12.950 -19.084 5.122 1.00 5.28 H new ATOM 14 N LYS A 2 17.413 -19.535 6.264 1.00 3.60 N ATOM 15 CA LYS A 2 18.557 -18.834 5.615 1.00 3.08 C ATOM 16 C LYS A 2 18.115 -18.290 4.255 1.00 2.11 C ATOM 17 O LYS A 2 18.635 -18.695 3.236 1.00 2.12 O ATOM 18 CB LYS A 2 19.715 -19.817 5.428 1.00 3.28 C ATOM 19 CG LYS A 2 19.917 -20.619 6.714 1.00 3.95 C ATOM 20 CD LYS A 2 21.149 -21.516 6.570 1.00 4.66 C ATOM 21 CE LYS A 2 21.498 -22.128 7.929 1.00 5.66 C ATOM 22 NZ LYS A 2 21.858 -21.045 8.886 1.00 5.96 N ATOM 0 H LYS A 2 17.498 -20.550 6.317 1.00 3.60 H new ATOM 0 HA LYS A 2 18.885 -18.006 6.244 1.00 3.08 H new ATOM 0 HB2 LYS A 2 19.504 -20.490 4.597 1.00 3.28 H new ATOM 0 HB3 LYS A 2 20.628 -19.277 5.177 1.00 3.28 H new ATOM 0 HG2 LYS A 2 20.043 -19.943 7.560 1.00 3.95 H new ATOM 0 HG3 LYS A 2 19.035 -21.225 6.919 1.00 3.95 H new ATOM 0 HD2 LYS A 2 20.954 -22.305 5.843 1.00 4.66 H new ATOM 0 HD3 LYS A 2 21.992 -20.936 6.193 1.00 4.66 H new ATOM 0 HE2 LYS A 2 20.651 -22.698 8.311 1.00 5.66 H new ATOM 0 HE3 LYS A 2 22.329 -22.825 7.823 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 22.491 -21.425 9.618 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 22.340 -20.277 8.376 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 20.995 -20.675 9.333 1.00 5.96 H new ATOM 36 N THR A 3 17.171 -17.387 4.212 1.00 1.72 N ATOM 37 CA THR A 3 16.710 -16.839 2.901 1.00 1.18 C ATOM 38 C THR A 3 15.719 -15.703 3.177 1.00 1.02 C ATOM 39 O THR A 3 15.133 -15.629 4.240 1.00 1.63 O ATOM 40 CB THR A 3 15.958 -17.923 2.115 1.00 1.48 C ATOM 41 OG1 THR A 3 16.853 -18.965 1.760 1.00 2.13 O ATOM 42 CG2 THR A 3 15.357 -17.319 0.844 1.00 2.22 C ATOM 0 H THR A 3 16.698 -17.004 5.030 1.00 1.72 H new ATOM 0 HA THR A 3 17.573 -16.493 2.332 1.00 1.18 H new ATOM 0 HB THR A 3 15.160 -18.325 2.739 1.00 1.48 H new ATOM 0 HG1 THR A 3 17.769 -18.702 1.990 1.00 2.13 H new ATOM 0 HG21 THR A 3 14.825 -18.092 0.290 1.00 2.22 H new ATOM 0 HG22 THR A 3 14.663 -16.522 1.113 1.00 2.22 H new ATOM 0 HG23 THR A 3 16.154 -16.911 0.223 1.00 2.22 H new ATOM 50 N GLY A 4 15.521 -14.817 2.240 1.00 0.52 N ATOM 51 CA GLY A 4 14.560 -13.708 2.498 1.00 0.30 C ATOM 52 C GLY A 4 14.470 -12.746 1.311 1.00 0.41 C ATOM 53 O GLY A 4 15.159 -12.876 0.319 1.00 0.81 O ATOM 0 H GLY A 4 15.972 -14.811 1.325 1.00 0.52 H new ATOM 0 HA2 GLY A 4 13.574 -14.123 2.705 1.00 0.30 H new ATOM 0 HA3 GLY A 4 14.869 -13.159 3.388 1.00 0.30 H new ATOM 57 N GLY A 5 13.614 -11.769 1.438 1.00 0.01 N ATOM 58 CA GLY A 5 13.440 -10.755 0.361 1.00 0.01 C ATOM 59 C GLY A 5 14.587 -9.745 0.434 1.00 0.01 C ATOM 60 O GLY A 5 15.204 -9.572 1.466 1.00 0.01 O ATOM 0 H GLY A 5 13.019 -11.629 2.255 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.428 -11.241 -0.615 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.483 -10.246 0.475 1.00 0.01 H new ATOM 64 N LYS A 6 14.884 -9.075 -0.649 1.00 0.00 N ATOM 65 CA LYS A 6 16.001 -8.079 -0.627 1.00 0.01 C ATOM 66 C LYS A 6 15.716 -6.944 -1.606 1.00 0.01 C ATOM 67 O LYS A 6 15.291 -7.162 -2.730 1.00 0.00 O ATOM 68 CB LYS A 6 17.324 -8.752 -0.998 1.00 0.02 C ATOM 69 CG LYS A 6 18.489 -7.832 -0.627 1.00 0.02 C ATOM 70 CD LYS A 6 19.768 -8.318 -1.317 1.00 0.02 C ATOM 71 CE LYS A 6 20.124 -9.719 -0.815 1.00 0.02 C ATOM 72 NZ LYS A 6 21.542 -10.023 -1.159 1.00 0.02 N ATOM 0 H LYS A 6 14.405 -9.172 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 6 16.078 -7.673 0.382 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.418 -9.704 -0.476 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.346 -8.971 -2.066 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.267 -6.808 -0.929 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.628 -7.823 0.454 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.626 -8.333 -2.398 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.587 -7.629 -1.113 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.979 -9.778 0.264 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.462 -10.458 -1.267 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.785 -10.975 -0.818 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 21.665 -9.982 -2.191 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 22.166 -9.324 -0.708 1.00 0.02 H new ATOM 86 N ILE A 7 15.979 -5.731 -1.174 1.00 0.02 N ATOM 87 CA ILE A 7 15.764 -4.530 -2.038 1.00 0.00 C ATOM 88 C ILE A 7 17.027 -3.660 -2.013 1.00 0.02 C ATOM 89 O ILE A 7 17.658 -3.498 -0.987 1.00 0.01 O ATOM 90 CB ILE A 7 14.545 -3.752 -1.533 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.443 -2.413 -2.270 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.684 -3.498 -0.035 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.090 -1.762 -1.965 1.00 0.02 C ATOM 0 H ILE A 7 16.340 -5.523 -0.243 1.00 0.02 H new ATOM 0 HA ILE A 7 15.573 -4.833 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 7 13.644 -4.337 -1.721 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.254 -1.753 -1.961 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.550 -2.568 -3.344 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.816 -2.944 0.322 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.749 -4.450 0.491 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.587 -2.917 0.153 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.018 -0.809 -2.490 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.287 -2.420 -2.296 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.001 -1.593 -0.892 1.00 0.02 H new ATOM 105 N SER A 8 17.397 -3.098 -3.140 1.00 0.02 N ATOM 106 CA SER A 8 18.621 -2.228 -3.205 1.00 0.02 C ATOM 107 C SER A 8 18.246 -0.825 -3.695 1.00 0.01 C ATOM 108 O SER A 8 17.585 -0.666 -4.700 1.00 0.02 O ATOM 109 CB SER A 8 19.650 -2.835 -4.163 1.00 0.30 C ATOM 110 OG SER A 8 20.926 -2.265 -3.902 1.00 0.39 O ATOM 0 H SER A 8 16.901 -3.204 -4.025 1.00 0.02 H new ATOM 0 HA SER A 8 19.050 -2.162 -2.205 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.689 -3.917 -4.036 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.358 -2.646 -5.196 1.00 0.30 H new ATOM 0 HG SER A 8 21.443 -2.869 -3.329 1.00 0.39 H new ATOM 116 N PHE A 9 18.684 0.194 -2.989 1.00 0.02 N ATOM 117 CA PHE A 9 18.387 1.607 -3.396 1.00 0.01 C ATOM 118 C PHE A 9 19.683 2.283 -3.874 1.00 0.01 C ATOM 119 O PHE A 9 20.740 2.076 -3.306 1.00 0.02 O ATOM 120 CB PHE A 9 17.834 2.380 -2.189 1.00 0.02 C ATOM 121 CG PHE A 9 16.894 1.499 -1.400 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.409 0.482 -0.591 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.509 1.706 -1.466 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.544 -0.329 0.150 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.643 0.894 -0.723 1.00 0.02 C ATOM 126 CZ PHE A 9 15.162 -0.124 0.085 1.00 0.02 C ATOM 0 H PHE A 9 19.241 0.105 -2.139 1.00 0.02 H new ATOM 0 HA PHE A 9 17.652 1.606 -4.201 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.654 2.713 -1.553 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.310 3.274 -2.528 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.476 0.323 -0.538 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.110 2.492 -2.090 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.944 -1.115 0.774 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.576 1.053 -0.774 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.495 -0.751 0.658 1.00 0.02 H new ATOM 136 N TYR A 10 19.615 3.082 -4.916 1.00 0.02 N ATOM 137 CA TYR A 10 20.844 3.771 -5.439 1.00 0.01 C ATOM 138 C TYR A 10 20.627 5.288 -5.420 1.00 0.02 C ATOM 139 O TYR A 10 19.558 5.778 -5.733 1.00 0.01 O ATOM 140 CB TYR A 10 21.105 3.328 -6.882 1.00 0.02 C ATOM 141 CG TYR A 10 20.996 1.822 -6.993 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.742 1.200 -6.916 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.148 1.049 -7.184 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.642 -0.193 -7.029 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.048 -0.343 -7.296 1.00 0.02 C ATOM 146 CZ TYR A 10 20.796 -0.964 -7.219 1.00 0.00 C ATOM 147 OH TYR A 10 20.698 -2.336 -7.331 1.00 0.02 O ATOM 0 H TYR A 10 18.758 3.288 -5.429 1.00 0.02 H new ATOM 0 HA TYR A 10 21.696 3.510 -4.811 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.387 3.802 -7.551 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.097 3.653 -7.196 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.853 1.795 -6.770 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.114 1.527 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.676 -0.672 -6.970 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.937 -0.938 -7.442 1.00 0.02 H new ATOM 0 HH TYR A 10 21.591 -2.718 -7.460 1.00 0.02 H new ATOM 157 N GLU A 11 21.620 6.041 -5.020 1.00 0.00 N ATOM 158 CA GLU A 11 21.444 7.518 -4.945 1.00 0.02 C ATOM 159 C GLU A 11 21.328 8.145 -6.337 1.00 0.03 C ATOM 160 O GLU A 11 20.714 9.183 -6.485 1.00 0.03 O ATOM 161 CB GLU A 11 22.641 8.139 -4.224 1.00 0.00 C ATOM 162 CG GLU A 11 22.684 7.639 -2.780 1.00 0.00 C ATOM 163 CD GLU A 11 23.658 8.499 -1.972 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.474 9.169 -2.583 1.00 0.01 O ATOM 165 OE2 GLU A 11 23.571 8.473 -0.755 1.00 0.02 O ATOM 0 H GLU A 11 22.540 5.697 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 11 20.521 7.715 -4.399 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.565 7.876 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.565 9.226 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.689 7.685 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.996 6.595 -2.754 1.00 0.00 H new ATOM 172 N ASP A 12 21.903 7.550 -7.361 1.00 0.02 N ATOM 173 CA ASP A 12 21.804 8.152 -8.731 1.00 0.01 C ATOM 174 C ASP A 12 20.985 7.243 -9.651 1.00 0.02 C ATOM 175 O ASP A 12 20.658 6.121 -9.321 1.00 0.02 O ATOM 176 CB ASP A 12 23.206 8.317 -9.322 1.00 0.01 C ATOM 177 CG ASP A 12 24.131 8.932 -8.271 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.620 9.475 -7.305 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.335 8.849 -8.450 1.00 0.02 O ATOM 0 H ASP A 12 22.432 6.680 -7.306 1.00 0.02 H new ATOM 0 HA ASP A 12 21.315 9.123 -8.650 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.594 7.350 -9.642 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.167 8.954 -10.206 1.00 0.01 H new ATOM 184 N ARG A 13 20.652 7.745 -10.806 1.00 0.02 N ATOM 185 CA ARG A 13 19.847 6.960 -11.785 1.00 0.02 C ATOM 186 C ARG A 13 20.723 5.902 -12.461 1.00 0.00 C ATOM 187 O ARG A 13 21.932 6.013 -12.506 1.00 0.02 O ATOM 188 CB ARG A 13 19.307 7.924 -12.843 1.00 0.00 C ATOM 189 CG ARG A 13 18.169 8.754 -12.244 1.00 0.01 C ATOM 190 CD ARG A 13 17.686 9.783 -13.269 1.00 0.02 C ATOM 191 NE ARG A 13 16.916 10.849 -12.572 1.00 0.03 N ATOM 192 CZ ARG A 13 16.661 11.975 -13.180 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.078 12.165 -14.402 1.00 0.02 N ATOM 194 NH2 ARG A 13 15.989 12.911 -12.568 1.00 0.02 N ATOM 0 H ARG A 13 20.907 8.682 -11.119 1.00 0.02 H new ATOM 0 HA ARG A 13 19.028 6.458 -11.271 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.104 8.580 -13.194 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.949 7.367 -13.709 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.345 8.102 -11.953 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.511 9.259 -11.341 1.00 0.01 H new ATOM 0 HD2 ARG A 13 18.537 10.217 -13.794 1.00 0.02 H new ATOM 0 HD3 ARG A 13 17.061 9.299 -14.020 1.00 0.02 H new ATOM 0 HE ARG A 13 16.587 10.699 -11.618 1.00 0.03 H new ATOM 0 HH11 ARG A 13 17.603 11.433 -14.881 1.00 0.02 H new ATOM 0 HH12 ARG A 13 16.879 13.045 -14.878 1.00 0.02 H new ATOM 0 HH21 ARG A 13 15.662 12.763 -11.613 1.00 0.02 H new ATOM 0 HH22 ARG A 13 15.790 13.791 -13.044 1.00 0.02 H new ATOM 208 N ASN A 14 20.103 4.882 -12.995 1.00 0.02 N ATOM 209 CA ASN A 14 20.856 3.798 -13.694 1.00 0.02 C ATOM 210 C ASN A 14 21.739 3.029 -12.709 1.00 0.02 C ATOM 211 O ASN A 14 22.830 2.599 -13.026 1.00 0.02 O ATOM 212 CB ASN A 14 21.700 4.413 -14.819 1.00 0.26 C ATOM 213 CG ASN A 14 22.066 3.334 -15.843 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.215 2.592 -16.292 1.00 0.74 O ATOM 215 ND2 ASN A 14 23.304 3.217 -16.237 1.00 0.46 N ATOM 0 H ASN A 14 19.091 4.752 -12.976 1.00 0.02 H new ATOM 0 HA ASN A 14 20.149 3.089 -14.124 1.00 0.02 H new ATOM 0 HB2 ASN A 14 21.145 5.215 -15.305 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.606 4.857 -14.405 1.00 0.26 H new ATOM 0 HD21 ASN A 14 23.556 2.504 -16.921 1.00 0.46 H new ATOM 0 HD22 ASN A 14 24.020 3.839 -15.861 1.00 0.46 H new ATOM 222 N PHE A 15 21.242 2.874 -11.505 1.00 0.02 N ATOM 223 CA PHE A 15 21.966 2.138 -10.419 1.00 0.02 C ATOM 224 C PHE A 15 23.402 2.636 -10.275 1.00 0.00 C ATOM 225 O PHE A 15 24.332 1.868 -10.126 1.00 0.02 O ATOM 226 CB PHE A 15 21.944 0.616 -10.666 1.00 0.02 C ATOM 227 CG PHE A 15 22.294 0.291 -12.098 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.284 0.213 -13.064 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.627 0.067 -12.459 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.607 -0.089 -14.392 1.00 0.02 C ATOM 231 CE2 PHE A 15 23.950 -0.235 -13.788 1.00 0.02 C ATOM 232 CZ PHE A 15 22.940 -0.313 -14.754 1.00 0.02 C ATOM 0 H PHE A 15 20.333 3.240 -11.221 1.00 0.02 H new ATOM 0 HA PHE A 15 21.442 2.338 -9.484 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.650 0.126 -9.996 1.00 0.02 H new ATOM 0 HB3 PHE A 15 20.955 0.221 -10.432 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.255 0.386 -12.785 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.406 0.127 -11.714 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.828 -0.149 -15.137 1.00 0.02 H new ATOM 0 HE2 PHE A 15 24.979 -0.408 -14.068 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.190 -0.546 -15.779 1.00 0.02 H new ATOM 242 N GLN A 16 23.572 3.931 -10.291 1.00 0.02 N ATOM 243 CA GLN A 16 24.926 4.540 -10.125 1.00 0.02 C ATOM 244 C GLN A 16 24.949 5.284 -8.785 1.00 0.02 C ATOM 245 O GLN A 16 23.917 5.525 -8.186 1.00 0.02 O ATOM 246 CB GLN A 16 25.184 5.533 -11.266 1.00 0.02 C ATOM 247 CG GLN A 16 25.586 4.769 -12.530 1.00 0.00 C ATOM 248 CD GLN A 16 25.930 5.764 -13.641 1.00 0.00 C ATOM 249 OE1 GLN A 16 26.207 6.916 -13.375 1.00 0.02 O ATOM 250 NE2 GLN A 16 25.925 5.364 -14.882 1.00 0.02 N ATOM 0 H GLN A 16 22.817 4.605 -10.414 1.00 0.02 H new ATOM 0 HA GLN A 16 25.696 3.769 -10.146 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.289 6.125 -11.456 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.973 6.230 -10.984 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.443 4.128 -12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.771 4.119 -12.849 1.00 0.00 H new ATOM 0 HE21 GLN A 16 25.692 4.396 -15.105 1.00 0.02 H new ATOM 0 HE22 GLN A 16 26.154 6.019 -15.630 1.00 0.02 H new ATOM 259 N GLY A 17 26.108 5.649 -8.302 1.00 0.03 N ATOM 260 CA GLY A 17 26.173 6.378 -7.000 1.00 0.03 C ATOM 261 C GLY A 17 26.278 5.389 -5.834 1.00 0.02 C ATOM 262 O GLY A 17 26.511 4.212 -6.021 1.00 0.02 O ATOM 0 H GLY A 17 27.008 5.475 -8.750 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.033 7.048 -6.994 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.285 6.998 -6.879 1.00 0.03 H new ATOM 266 N ARG A 18 26.093 5.863 -4.632 1.00 0.00 N ATOM 267 CA ARG A 18 26.164 4.964 -3.443 1.00 0.02 C ATOM 268 C ARG A 18 24.963 4.017 -3.460 1.00 0.02 C ATOM 269 O ARG A 18 23.872 4.384 -3.853 1.00 0.02 O ATOM 270 CB ARG A 18 26.139 5.815 -2.172 1.00 0.79 C ATOM 271 CG ARG A 18 26.130 4.904 -0.942 1.00 1.49 C ATOM 272 CD ARG A 18 26.399 5.737 0.313 1.00 1.42 C ATOM 273 NE ARG A 18 26.556 4.833 1.487 1.00 2.07 N ATOM 274 CZ ARG A 18 27.080 5.286 2.594 1.00 2.35 C ATOM 275 NH1 ARG A 18 27.469 6.529 2.670 1.00 2.53 N ATOM 276 NH2 ARG A 18 27.215 4.495 3.624 1.00 2.76 N ATOM 0 H ARG A 18 25.894 6.841 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 18 27.084 4.380 -3.468 1.00 0.02 H new ATOM 0 HB2 ARG A 18 27.009 6.471 -2.145 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.257 6.455 -2.169 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.167 4.400 -0.857 1.00 1.49 H new ATOM 0 HG3 ARG A 18 26.888 4.128 -1.046 1.00 1.49 H new ATOM 0 HD2 ARG A 18 27.300 6.335 0.179 1.00 1.42 H new ATOM 0 HD3 ARG A 18 25.577 6.432 0.484 1.00 1.42 H new ATOM 0 HE ARG A 18 26.254 3.861 1.426 1.00 2.07 H new ATOM 0 HH11 ARG A 18 27.364 7.146 1.865 1.00 2.53 H new ATOM 0 HH12 ARG A 18 27.878 6.883 3.534 1.00 2.53 H new ATOM 0 HH21 ARG A 18 26.911 3.523 3.564 1.00 2.76 H new ATOM 0 HH22 ARG A 18 27.624 4.849 4.489 1.00 2.76 H new ATOM 290 N ARG A 19 25.167 2.784 -3.057 1.00 0.02 N ATOM 291 CA ARG A 19 24.059 1.775 -3.063 1.00 0.02 C ATOM 292 C ARG A 19 23.852 1.210 -1.654 1.00 0.02 C ATOM 293 O ARG A 19 24.778 1.092 -0.875 1.00 0.02 O ATOM 294 CB ARG A 19 24.457 0.625 -4.000 1.00 0.85 C ATOM 295 CG ARG A 19 23.281 -0.341 -4.185 1.00 1.31 C ATOM 296 CD ARG A 19 23.767 -1.595 -4.917 1.00 1.34 C ATOM 297 NE ARG A 19 24.785 -1.214 -5.935 1.00 1.50 N ATOM 298 CZ ARG A 19 25.544 -2.127 -6.472 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.416 -3.374 -6.114 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.434 -1.793 -7.365 1.00 1.89 N ATOM 0 H ARG A 19 26.063 2.431 -2.721 1.00 0.02 H new ATOM 0 HA ARG A 19 23.137 2.250 -3.398 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.764 1.024 -4.967 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.314 0.091 -3.589 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.861 -0.611 -3.216 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.486 0.141 -4.754 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.195 -2.301 -4.206 1.00 1.34 H new ATOM 0 HD3 ARG A 19 22.927 -2.097 -5.397 1.00 1.34 H new ATOM 0 HE ARG A 19 24.888 -0.238 -6.212 1.00 1.50 H new ATOM 0 HH11 ARG A 19 24.722 -3.635 -5.414 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.010 -4.089 -6.534 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.536 -0.817 -7.643 1.00 1.89 H new ATOM 0 HH22 ARG A 19 27.028 -2.508 -7.785 1.00 1.89 H new ATOM 314 N TYR A 20 22.639 0.824 -1.344 1.00 0.02 N ATOM 315 CA TYR A 20 22.347 0.217 -0.006 1.00 0.02 C ATOM 316 C TYR A 20 21.437 -0.994 -0.188 1.00 0.02 C ATOM 317 O TYR A 20 20.445 -0.923 -0.879 1.00 0.02 O ATOM 318 CB TYR A 20 21.666 1.224 0.931 1.00 0.02 C ATOM 319 CG TYR A 20 21.830 0.738 2.357 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.088 -0.361 2.817 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.743 1.370 3.210 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.257 -0.819 4.129 1.00 0.02 C ATOM 323 CE2 TYR A 20 22.913 0.908 4.521 1.00 0.02 C ATOM 324 CZ TYR A 20 22.170 -0.185 4.980 1.00 0.02 C ATOM 325 OH TYR A 20 22.339 -0.640 6.273 1.00 0.01 O ATOM 0 H TYR A 20 21.833 0.903 -1.964 1.00 0.02 H new ATOM 0 HA TYR A 20 23.293 -0.083 0.444 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.111 2.212 0.814 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.609 1.319 0.682 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.387 -0.853 2.159 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.316 2.214 2.857 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.683 -1.662 4.485 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.618 1.396 5.178 1.00 0.02 H new ATOM 0 HH TYR A 20 23.010 -0.090 6.728 1.00 0.01 H new ATOM 335 N ASP A 21 21.752 -2.094 0.442 1.00 0.01 N ATOM 336 CA ASP A 21 20.899 -3.321 0.331 1.00 0.02 C ATOM 337 C ASP A 21 20.188 -3.550 1.669 1.00 0.00 C ATOM 338 O ASP A 21 20.778 -3.429 2.725 1.00 0.01 O ATOM 339 CB ASP A 21 21.798 -4.518 0.018 1.00 0.12 C ATOM 340 CG ASP A 21 22.731 -4.164 -1.142 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.257 -4.122 -2.265 1.00 0.56 O ATOM 342 OD2 ASP A 21 23.903 -3.939 -0.888 1.00 1.12 O ATOM 0 H ASP A 21 22.574 -2.199 1.037 1.00 0.01 H new ATOM 0 HA ASP A 21 20.160 -3.200 -0.461 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.381 -4.789 0.898 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.190 -5.385 -0.241 1.00 0.12 H new ATOM 347 N CYS A 22 18.910 -3.864 1.625 1.00 0.01 N ATOM 348 CA CYS A 22 18.130 -4.089 2.886 1.00 0.00 C ATOM 349 C CYS A 22 17.420 -5.441 2.813 1.00 0.02 C ATOM 350 O CYS A 22 16.877 -5.819 1.790 1.00 0.01 O ATOM 351 CB CYS A 22 17.094 -2.974 3.045 1.00 0.00 C ATOM 352 SG CYS A 22 16.451 -2.984 4.736 1.00 0.02 S ATOM 0 H CYS A 22 18.373 -3.974 0.765 1.00 0.01 H new ATOM 0 HA CYS A 22 18.807 -4.083 3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.547 -2.008 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.280 -3.116 2.334 1.00 0.00 H new ATOM 0 HG CYS A 22 15.262 -3.510 4.745 1.00 0.02 H new ATOM 358 N ASP A 23 17.430 -6.178 3.899 1.00 0.01 N ATOM 359 CA ASP A 23 16.772 -7.521 3.931 1.00 0.02 C ATOM 360 C ASP A 23 15.651 -7.540 4.979 1.00 0.00 C ATOM 361 O ASP A 23 15.130 -8.585 5.313 1.00 0.02 O ATOM 362 CB ASP A 23 17.821 -8.576 4.289 1.00 0.16 C ATOM 363 CG ASP A 23 18.477 -8.213 5.621 1.00 0.17 C ATOM 364 OD1 ASP A 23 17.752 -7.896 6.550 1.00 0.17 O ATOM 365 OD2 ASP A 23 19.695 -8.258 5.691 1.00 0.20 O ATOM 0 H ASP A 23 17.872 -5.901 4.775 1.00 0.01 H new ATOM 0 HA ASP A 23 16.341 -7.735 2.953 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.355 -9.559 4.357 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.575 -8.635 3.504 1.00 0.16 H new ATOM 370 N CYS A 24 15.260 -6.399 5.497 1.00 0.01 N ATOM 371 CA CYS A 24 14.164 -6.380 6.511 1.00 0.01 C ATOM 372 C CYS A 24 13.566 -4.968 6.577 1.00 0.01 C ATOM 373 O CYS A 24 14.060 -4.053 5.949 1.00 0.01 O ATOM 374 CB CYS A 24 14.724 -6.766 7.882 1.00 0.62 C ATOM 375 SG CYS A 24 13.363 -6.959 9.058 1.00 1.23 S ATOM 0 H CYS A 24 15.651 -5.487 5.262 1.00 0.01 H new ATOM 0 HA CYS A 24 13.390 -7.094 6.228 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.289 -7.695 7.807 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.416 -6.000 8.233 1.00 0.62 H new ATOM 0 HG CYS A 24 12.815 -5.801 9.282 1.00 1.23 H new ATOM 381 N ASP A 25 12.505 -4.775 7.322 1.00 0.02 N ATOM 382 CA ASP A 25 11.882 -3.419 7.411 1.00 0.01 C ATOM 383 C ASP A 25 12.855 -2.418 8.039 1.00 0.02 C ATOM 384 O ASP A 25 13.626 -2.751 8.917 1.00 0.00 O ATOM 385 CB ASP A 25 10.631 -3.502 8.288 1.00 0.01 C ATOM 386 CG ASP A 25 10.980 -4.177 9.616 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.057 -5.394 9.638 1.00 0.01 O ATOM 388 OD2 ASP A 25 11.164 -3.464 10.589 1.00 0.01 O ATOM 0 H ASP A 25 12.044 -5.499 7.873 1.00 0.02 H new ATOM 0 HA ASP A 25 11.627 -3.084 6.406 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.235 -2.503 8.469 1.00 0.01 H new ATOM 0 HB3 ASP A 25 9.852 -4.066 7.775 1.00 0.01 H new ATOM 393 N CYS A 26 12.798 -1.179 7.607 1.00 0.01 N ATOM 394 CA CYS A 26 13.688 -0.116 8.182 1.00 0.01 C ATOM 395 C CYS A 26 12.837 1.131 8.484 1.00 0.01 C ATOM 396 O CYS A 26 12.240 1.709 7.598 1.00 0.01 O ATOM 397 CB CYS A 26 14.792 0.224 7.176 1.00 0.01 C ATOM 398 SG CYS A 26 16.155 -0.953 7.358 1.00 0.02 S ATOM 0 H CYS A 26 12.167 -0.855 6.874 1.00 0.01 H new ATOM 0 HA CYS A 26 14.152 -0.469 9.103 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.398 0.187 6.160 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.150 1.240 7.342 1.00 0.01 H new ATOM 0 HG CYS A 26 16.086 -1.846 6.416 1.00 0.02 H new ATOM 404 N ALA A 27 12.749 1.518 9.736 1.00 0.01 N ATOM 405 CA ALA A 27 11.899 2.692 10.115 1.00 0.01 C ATOM 406 C ALA A 27 12.581 4.023 9.774 1.00 0.01 C ATOM 407 O ALA A 27 11.932 5.047 9.683 1.00 0.02 O ATOM 408 CB ALA A 27 11.617 2.643 11.618 1.00 0.24 C ATOM 0 H ALA A 27 13.232 1.069 10.514 1.00 0.01 H new ATOM 0 HA ALA A 27 10.971 2.634 9.546 1.00 0.01 H new ATOM 0 HB1 ALA A 27 10.999 3.495 11.900 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.093 1.718 11.860 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.558 2.681 12.166 1.00 0.24 H new ATOM 414 N ASP A 28 13.873 4.033 9.607 1.00 0.01 N ATOM 415 CA ASP A 28 14.571 5.320 9.288 1.00 0.02 C ATOM 416 C ASP A 28 15.847 5.021 8.505 1.00 0.01 C ATOM 417 O ASP A 28 16.816 4.520 9.040 1.00 0.02 O ATOM 418 CB ASP A 28 14.915 6.059 10.584 1.00 0.67 C ATOM 419 CG ASP A 28 15.782 5.164 11.470 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.673 3.955 11.345 1.00 0.87 O ATOM 421 OD2 ASP A 28 16.542 5.703 12.257 1.00 1.14 O ATOM 0 H ASP A 28 14.477 3.214 9.676 1.00 0.01 H new ATOM 0 HA ASP A 28 13.916 5.950 8.686 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.444 6.985 10.357 1.00 0.67 H new ATOM 0 HB3 ASP A 28 14.001 6.334 11.111 1.00 0.67 H new ATOM 426 N PHE A 29 15.839 5.296 7.227 1.00 0.02 N ATOM 427 CA PHE A 29 17.021 5.007 6.359 1.00 0.02 C ATOM 428 C PHE A 29 17.817 6.297 6.088 1.00 0.00 C ATOM 429 O PHE A 29 18.728 6.324 5.284 1.00 0.02 O ATOM 430 CB PHE A 29 16.481 4.418 5.026 1.00 2.87 C ATOM 431 CG PHE A 29 17.090 3.060 4.762 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.453 2.963 4.495 1.00 4.52 C ATOM 433 CD2 PHE A 29 16.295 1.908 4.796 1.00 4.68 C ATOM 434 CE1 PHE A 29 19.032 1.717 4.259 1.00 5.75 C ATOM 435 CE2 PHE A 29 16.873 0.655 4.560 1.00 5.85 C ATOM 436 CZ PHE A 29 18.243 0.559 4.293 1.00 6.37 C ATOM 0 H PHE A 29 15.049 5.717 6.739 1.00 0.02 H new ATOM 0 HA PHE A 29 17.693 4.302 6.849 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.395 4.333 5.072 1.00 2.87 H new ATOM 0 HB3 PHE A 29 16.713 5.093 4.203 1.00 2.87 H new ATOM 0 HD1 PHE A 29 19.063 3.854 4.471 1.00 4.52 H new ATOM 0 HD2 PHE A 29 15.238 1.986 5.004 1.00 4.68 H new ATOM 0 HE1 PHE A 29 20.089 1.644 4.050 1.00 5.75 H new ATOM 0 HE2 PHE A 29 16.263 -0.236 4.584 1.00 5.85 H new ATOM 0 HZ PHE A 29 18.692 -0.407 4.113 1.00 6.37 H new ATOM 446 N ARG A 30 17.430 7.374 6.709 1.00 0.01 N ATOM 447 CA ARG A 30 18.107 8.677 6.457 1.00 0.00 C ATOM 448 C ARG A 30 19.589 8.660 6.856 1.00 0.01 C ATOM 449 O ARG A 30 20.382 9.388 6.295 1.00 0.02 O ATOM 450 CB ARG A 30 17.397 9.780 7.247 1.00 0.32 C ATOM 451 CG ARG A 30 16.025 10.056 6.622 1.00 0.86 C ATOM 452 CD ARG A 30 15.370 11.245 7.329 1.00 1.62 C ATOM 453 NE ARG A 30 14.229 11.738 6.509 1.00 2.25 N ATOM 454 CZ ARG A 30 13.351 12.550 7.032 1.00 2.70 C ATOM 455 NH1 ARG A 30 13.475 12.933 8.274 1.00 3.11 N ATOM 456 NH2 ARG A 30 12.350 12.978 6.314 1.00 3.02 N ATOM 0 H ARG A 30 16.668 7.409 7.386 1.00 0.01 H new ATOM 0 HA ARG A 30 18.053 8.865 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.280 9.478 8.288 1.00 0.32 H new ATOM 0 HB3 ARG A 30 17.999 10.689 7.244 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.134 10.267 5.558 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.391 9.174 6.708 1.00 0.86 H new ATOM 0 HD2 ARG A 30 15.020 10.947 8.318 1.00 1.62 H new ATOM 0 HD3 ARG A 30 16.099 12.042 7.475 1.00 1.62 H new ATOM 0 HE ARG A 30 14.133 11.441 5.538 1.00 2.25 H new ATOM 0 HH11 ARG A 30 14.258 12.598 8.835 1.00 3.11 H new ATOM 0 HH12 ARG A 30 12.789 13.568 8.683 1.00 3.11 H new ATOM 0 HH21 ARG A 30 12.253 12.678 5.344 1.00 3.02 H new ATOM 0 HH22 ARG A 30 11.664 13.613 6.723 1.00 3.02 H new ATOM 470 N SER A 31 19.987 7.879 7.828 1.00 0.02 N ATOM 471 CA SER A 31 21.425 7.900 8.249 1.00 0.02 C ATOM 472 C SER A 31 22.315 7.131 7.270 1.00 0.01 C ATOM 473 O SER A 31 23.520 7.285 7.274 1.00 0.02 O ATOM 474 CB SER A 31 21.545 7.261 9.632 1.00 0.37 C ATOM 475 OG SER A 31 22.909 7.261 10.033 1.00 0.88 O ATOM 0 H SER A 31 19.389 7.234 8.344 1.00 0.02 H new ATOM 0 HA SER A 31 21.758 8.938 8.266 1.00 0.02 H new ATOM 0 HB2 SER A 31 20.942 7.812 10.353 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.161 6.241 9.609 1.00 0.37 H new ATOM 0 HG SER A 31 23.480 7.412 9.251 1.00 0.88 H new ATOM 481 N TYR A 32 21.742 6.282 6.460 1.00 0.01 N ATOM 482 CA TYR A 32 22.568 5.470 5.506 1.00 0.01 C ATOM 483 C TYR A 32 22.386 5.979 4.075 1.00 0.02 C ATOM 484 O TYR A 32 23.184 5.695 3.205 1.00 0.02 O ATOM 485 CB TYR A 32 22.114 4.010 5.594 1.00 0.02 C ATOM 486 CG TYR A 32 22.664 3.380 6.857 1.00 0.02 C ATOM 487 CD1 TYR A 32 24.046 3.203 7.006 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.795 2.975 7.880 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.558 2.621 8.172 1.00 0.00 C ATOM 490 CE2 TYR A 32 22.306 2.393 9.045 1.00 0.02 C ATOM 491 CZ TYR A 32 23.688 2.216 9.191 1.00 0.02 C ATOM 492 OH TYR A 32 24.191 1.642 10.341 1.00 0.02 O ATOM 0 H TYR A 32 20.737 6.112 6.414 1.00 0.01 H new ATOM 0 HA TYR A 32 23.622 5.557 5.770 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.025 3.957 5.594 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.460 3.458 4.720 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.717 3.516 6.220 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.730 3.113 7.768 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.623 2.485 8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.635 2.080 9.832 1.00 0.02 H new ATOM 0 HH TYR A 32 23.453 1.420 10.946 1.00 0.02 H new ATOM 502 N LEU A 33 21.333 6.702 3.809 1.00 0.02 N ATOM 503 CA LEU A 33 21.096 7.193 2.415 1.00 0.02 C ATOM 504 C LEU A 33 20.366 8.540 2.465 1.00 0.02 C ATOM 505 O LEU A 33 19.347 8.688 3.110 1.00 0.02 O ATOM 506 CB LEU A 33 20.200 6.169 1.692 1.00 1.66 C ATOM 507 CG LEU A 33 20.401 6.264 0.164 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.630 5.451 -0.267 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.167 5.711 -0.555 1.00 2.80 C ATOM 0 H LEU A 33 20.626 6.975 4.492 1.00 0.02 H new ATOM 0 HA LEU A 33 22.045 7.313 1.893 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.438 5.162 2.035 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.154 6.352 1.940 1.00 1.66 H new ATOM 0 HG LEU A 33 20.550 7.311 -0.099 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.757 5.529 -1.347 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.517 5.841 0.232 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.489 4.406 0.007 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.313 5.780 -1.633 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.019 4.668 -0.275 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.289 6.291 -0.270 1.00 2.80 H new ATOM 521 N SER A 34 20.906 9.531 1.800 1.00 0.02 N ATOM 522 CA SER A 34 20.280 10.884 1.816 1.00 0.02 C ATOM 523 C SER A 34 19.224 11.023 0.716 1.00 0.00 C ATOM 524 O SER A 34 18.447 11.957 0.715 1.00 0.01 O ATOM 525 CB SER A 34 21.366 11.940 1.604 1.00 0.02 C ATOM 526 OG SER A 34 20.821 13.231 1.847 1.00 0.02 O ATOM 0 H SER A 34 21.758 9.458 1.244 1.00 0.02 H new ATOM 0 HA SER A 34 19.791 11.024 2.780 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.205 11.755 2.275 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.752 11.882 0.586 1.00 0.02 H new ATOM 0 HG SER A 34 19.888 13.253 1.549 1.00 0.02 H new ATOM 532 N ARG A 35 19.180 10.113 -0.224 1.00 0.02 N ATOM 533 CA ARG A 35 18.173 10.204 -1.319 1.00 0.01 C ATOM 534 C ARG A 35 18.241 8.917 -2.151 1.00 0.02 C ATOM 535 O ARG A 35 19.214 8.191 -2.103 1.00 0.02 O ATOM 536 CB ARG A 35 18.489 11.404 -2.215 1.00 0.02 C ATOM 537 CG ARG A 35 19.955 11.348 -2.646 1.00 0.02 C ATOM 538 CD ARG A 35 20.246 12.489 -3.622 1.00 0.02 C ATOM 539 NE ARG A 35 19.969 13.794 -2.959 1.00 0.02 N ATOM 540 CZ ARG A 35 20.421 14.901 -3.483 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.118 14.865 -4.587 1.00 0.00 N ATOM 542 NH2 ARG A 35 20.176 16.045 -2.903 1.00 0.02 N ATOM 0 H ARG A 35 19.803 9.307 -0.278 1.00 0.02 H new ATOM 0 HA ARG A 35 17.176 10.329 -0.896 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.841 11.397 -3.091 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.292 12.333 -1.680 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.604 11.427 -1.774 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.170 10.389 -3.117 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.286 12.448 -3.947 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.629 12.384 -4.514 1.00 0.02 H new ATOM 0 HE ARG A 35 19.426 13.823 -2.096 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.309 13.972 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.471 15.730 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.632 16.073 -2.041 1.00 0.02 H new ATOM 0 HH22 ARG A 35 20.529 16.910 -3.312 1.00 0.02 H new ATOM 556 N CYS A 36 17.220 8.632 -2.918 1.00 0.02 N ATOM 557 CA CYS A 36 17.223 7.397 -3.765 1.00 0.02 C ATOM 558 C CYS A 36 16.519 7.704 -5.090 1.00 0.02 C ATOM 559 O CYS A 36 15.349 8.035 -5.093 1.00 0.02 O ATOM 560 CB CYS A 36 16.462 6.289 -3.036 1.00 0.02 C ATOM 561 SG CYS A 36 14.957 6.987 -2.319 1.00 0.02 S ATOM 0 H CYS A 36 16.379 9.204 -2.996 1.00 0.02 H new ATOM 0 HA CYS A 36 18.247 7.076 -3.954 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.212 5.485 -3.728 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.086 5.855 -2.255 1.00 0.02 H new ATOM 0 HG CYS A 36 14.678 8.112 -2.907 1.00 0.02 H new ATOM 567 N ASN A 37 17.203 7.634 -6.216 1.00 0.02 N ATOM 568 CA ASN A 37 16.532 7.969 -7.520 1.00 0.01 C ATOM 569 C ASN A 37 16.299 6.713 -8.365 1.00 0.02 C ATOM 570 O ASN A 37 15.740 6.768 -9.443 1.00 0.02 O ATOM 571 CB ASN A 37 17.404 8.945 -8.314 1.00 0.02 C ATOM 572 CG ASN A 37 17.414 10.308 -7.618 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.516 10.364 -6.318 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 17.330 11.333 -8.264 1.00 0.02 N flip ATOM 0 H ASN A 37 18.184 7.363 -6.287 1.00 0.02 H new ATOM 0 HA ASN A 37 15.567 8.422 -7.293 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.420 8.559 -8.393 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.021 9.047 -9.330 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.250 11.290 -9.280 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.339 12.236 -7.791 1.00 0.02 H new ATOM 581 N SER A 38 16.697 5.575 -7.863 1.00 0.02 N ATOM 582 CA SER A 38 16.482 4.297 -8.599 1.00 0.02 C ATOM 583 C SER A 38 16.475 3.166 -7.574 1.00 0.01 C ATOM 584 O SER A 38 17.051 3.282 -6.510 1.00 0.02 O ATOM 585 CB SER A 38 17.593 4.071 -9.625 1.00 0.01 C ATOM 586 OG SER A 38 17.601 2.705 -10.016 1.00 0.02 O ATOM 0 H SER A 38 17.168 5.476 -6.963 1.00 0.02 H new ATOM 0 HA SER A 38 15.536 4.331 -9.139 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.436 4.709 -10.495 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.558 4.345 -9.199 1.00 0.01 H new ATOM 0 HG SER A 38 16.706 2.447 -10.321 1.00 0.02 H new ATOM 592 N ILE A 39 15.812 2.078 -7.871 1.00 0.02 N ATOM 593 CA ILE A 39 15.749 0.953 -6.885 1.00 0.02 C ATOM 594 C ILE A 39 15.704 -0.398 -7.606 1.00 0.02 C ATOM 595 O ILE A 39 15.124 -0.550 -8.662 1.00 0.02 O ATOM 596 CB ILE A 39 14.472 1.098 -6.052 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.311 2.555 -5.605 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.558 0.197 -4.821 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.126 2.671 -4.645 1.00 0.00 C ATOM 0 H ILE A 39 15.314 1.918 -8.747 1.00 0.02 H new ATOM 0 HA ILE A 39 16.636 0.992 -6.253 1.00 0.02 H new ATOM 0 HB ILE A 39 13.614 0.807 -6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.223 2.898 -5.116 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.153 3.196 -6.472 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.648 0.301 -4.229 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.669 -0.840 -5.136 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.418 0.486 -4.218 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.014 3.708 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.216 2.345 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.302 2.043 -3.772 1.00 0.00 H new ATOM 611 N ARG A 40 16.276 -1.402 -6.989 1.00 0.02 N ATOM 612 CA ARG A 40 16.244 -2.783 -7.559 1.00 0.02 C ATOM 613 C ARG A 40 15.622 -3.709 -6.515 1.00 0.01 C ATOM 614 O ARG A 40 16.107 -3.805 -5.407 1.00 0.02 O ATOM 615 CB ARG A 40 17.656 -3.277 -7.894 1.00 0.01 C ATOM 616 CG ARG A 40 17.568 -4.526 -8.776 1.00 0.02 C ATOM 617 CD ARG A 40 18.973 -4.947 -9.206 1.00 0.02 C ATOM 618 NE ARG A 40 19.848 -5.064 -8.006 1.00 0.02 N ATOM 619 CZ ARG A 40 20.990 -5.692 -8.091 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.364 -6.215 -9.226 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.758 -5.793 -7.041 1.00 0.02 N ATOM 0 H ARG A 40 16.771 -1.321 -6.101 1.00 0.02 H new ATOM 0 HA ARG A 40 15.661 -2.778 -8.480 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.213 -2.494 -8.409 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.200 -3.505 -6.977 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.085 -5.336 -8.230 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.954 -4.322 -9.653 1.00 0.02 H new ATOM 0 HD2 ARG A 40 18.933 -5.900 -9.734 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.386 -4.215 -9.900 1.00 0.02 H new ATOM 0 HE ARG A 40 19.556 -4.654 -7.119 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.765 -6.133 -10.047 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.256 -6.705 -9.292 1.00 0.02 H new ATOM 0 HH21 ARG A 40 21.466 -5.382 -6.154 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.650 -6.283 -7.107 1.00 0.02 H new ATOM 635 N VAL A 41 14.588 -4.426 -6.868 1.00 0.02 N ATOM 636 CA VAL A 41 13.975 -5.393 -5.905 1.00 0.01 C ATOM 637 C VAL A 41 14.390 -6.786 -6.361 1.00 0.02 C ATOM 638 O VAL A 41 14.026 -7.223 -7.435 1.00 0.02 O ATOM 639 CB VAL A 41 12.453 -5.252 -5.906 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.860 -6.153 -4.817 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.087 -3.797 -5.600 1.00 0.00 C ATOM 0 H VAL A 41 14.139 -4.385 -7.783 1.00 0.02 H new ATOM 0 HA VAL A 41 14.313 -5.203 -4.886 1.00 0.01 H new ATOM 0 HB VAL A 41 12.058 -5.541 -6.880 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.774 -6.055 -4.815 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.130 -7.190 -5.016 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.253 -5.856 -3.845 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.003 -3.687 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.481 -3.521 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.517 -3.146 -6.361 1.00 0.00 H new ATOM 651 N GLU A 42 15.181 -7.472 -5.572 1.00 0.01 N ATOM 652 CA GLU A 42 15.657 -8.824 -5.982 1.00 0.01 C ATOM 653 C GLU A 42 14.633 -9.881 -5.601 1.00 0.02 C ATOM 654 O GLU A 42 14.463 -10.862 -6.299 1.00 0.01 O ATOM 655 CB GLU A 42 16.990 -9.131 -5.294 1.00 0.99 C ATOM 656 CG GLU A 42 17.678 -10.304 -6.001 1.00 1.86 C ATOM 657 CD GLU A 42 18.964 -10.669 -5.255 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.267 -10.005 -4.278 1.00 3.67 O ATOM 659 OE2 GLU A 42 19.623 -11.607 -5.674 1.00 3.81 O ATOM 0 H GLU A 42 15.516 -7.152 -4.663 1.00 0.01 H new ATOM 0 HA GLU A 42 15.793 -8.836 -7.063 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.634 -8.252 -5.318 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.821 -9.374 -4.245 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.009 -11.164 -6.036 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.907 -10.036 -7.032 1.00 1.86 H new ATOM 666 N GLY A 43 13.950 -9.718 -4.502 1.00 0.01 N ATOM 667 CA GLY A 43 12.958 -10.761 -4.120 1.00 0.02 C ATOM 668 C GLY A 43 11.974 -10.218 -3.090 1.00 0.02 C ATOM 669 O GLY A 43 12.325 -9.390 -2.271 1.00 0.02 O ATOM 0 H GLY A 43 14.032 -8.926 -3.864 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.417 -11.097 -5.005 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.475 -11.630 -3.713 1.00 0.02 H new ATOM 673 N GLY A 44 10.760 -10.701 -3.109 1.00 0.00 N ATOM 674 CA GLY A 44 9.752 -10.230 -2.116 1.00 0.01 C ATOM 675 C GLY A 44 9.063 -8.958 -2.621 1.00 0.01 C ATOM 676 O GLY A 44 9.461 -8.368 -3.606 1.00 0.01 O ATOM 0 H GLY A 44 10.423 -11.401 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.010 -11.010 -1.943 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.237 -10.034 -1.160 1.00 0.01 H new ATOM 680 N THR A 45 8.047 -8.522 -1.921 1.00 0.01 N ATOM 681 CA THR A 45 7.321 -7.266 -2.302 1.00 0.00 C ATOM 682 C THR A 45 7.467 -6.281 -1.144 1.00 0.01 C ATOM 683 O THR A 45 7.374 -6.666 0.002 1.00 0.01 O ATOM 684 CB THR A 45 5.837 -7.588 -2.529 1.00 0.73 C ATOM 685 OG1 THR A 45 5.702 -8.365 -3.710 1.00 0.88 O ATOM 686 CG2 THR A 45 5.033 -6.292 -2.677 1.00 1.48 C ATOM 0 H THR A 45 7.683 -8.987 -1.090 1.00 0.01 H new ATOM 0 HA THR A 45 7.731 -6.840 -3.218 1.00 0.00 H new ATOM 0 HB THR A 45 5.457 -8.146 -1.673 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.756 -8.574 -3.858 1.00 0.88 H new ATOM 0 HG21 THR A 45 3.982 -6.532 -2.838 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.134 -5.695 -1.770 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.410 -5.725 -3.528 1.00 1.48 H new ATOM 694 N TRP A 46 7.773 -5.030 -1.412 1.00 0.02 N ATOM 695 CA TRP A 46 8.000 -4.058 -0.289 1.00 0.01 C ATOM 696 C TRP A 46 7.147 -2.796 -0.432 1.00 0.01 C ATOM 697 O TRP A 46 6.795 -2.361 -1.509 1.00 0.01 O ATOM 698 CB TRP A 46 9.475 -3.651 -0.285 1.00 0.00 C ATOM 699 CG TRP A 46 10.324 -4.855 -0.036 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.507 -5.871 -0.911 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.107 -5.187 1.147 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.353 -6.805 -0.340 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.749 -6.429 0.929 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.319 -4.537 2.376 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.573 -7.006 1.896 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.149 -5.115 3.351 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.773 -6.347 3.111 1.00 0.01 C ATOM 0 H TRP A 46 7.875 -4.643 -2.350 1.00 0.02 H new ATOM 0 HA TRP A 46 7.717 -4.551 0.641 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.740 -3.197 -1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.654 -2.901 0.485 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.065 -5.941 -1.894 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.648 -7.666 -0.800 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.841 -3.588 2.571 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.052 -7.955 1.706 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.307 -4.607 4.291 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.408 -6.787 3.866 1.00 0.01 H new ATOM 718 N ALA A 47 6.882 -2.180 0.689 1.00 0.01 N ATOM 719 CA ALA A 47 6.127 -0.895 0.724 1.00 0.01 C ATOM 720 C ALA A 47 7.160 0.166 1.106 1.00 0.01 C ATOM 721 O ALA A 47 7.933 -0.021 2.024 1.00 0.01 O ATOM 722 CB ALA A 47 5.012 -0.965 1.773 1.00 0.24 C ATOM 0 H ALA A 47 7.166 -2.524 1.606 1.00 0.01 H new ATOM 0 HA ALA A 47 5.651 -0.671 -0.231 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.468 -0.021 1.789 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.327 -1.775 1.522 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.447 -1.150 2.755 1.00 0.24 H new ATOM 728 N VAL A 48 7.168 1.281 0.419 1.00 0.01 N ATOM 729 CA VAL A 48 8.142 2.375 0.744 1.00 0.02 C ATOM 730 C VAL A 48 7.378 3.638 1.138 1.00 0.01 C ATOM 731 O VAL A 48 6.322 3.920 0.604 1.00 0.01 O ATOM 732 CB VAL A 48 9.022 2.661 -0.473 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.899 1.442 -0.767 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.135 2.954 -1.687 1.00 0.65 C ATOM 0 H VAL A 48 6.539 1.484 -0.358 1.00 0.01 H new ATOM 0 HA VAL A 48 8.774 2.062 1.575 1.00 0.02 H new ATOM 0 HB VAL A 48 9.655 3.524 -0.268 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.526 1.646 -1.635 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.531 1.232 0.096 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.266 0.579 -0.972 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.762 3.158 -2.555 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.502 2.091 -1.892 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.509 3.822 -1.479 1.00 0.65 H new ATOM 744 N TYR A 49 7.900 4.397 2.076 1.00 0.01 N ATOM 745 CA TYR A 49 7.207 5.651 2.523 1.00 0.01 C ATOM 746 C TYR A 49 8.118 6.860 2.299 1.00 0.01 C ATOM 747 O TYR A 49 9.328 6.783 2.392 1.00 0.02 O ATOM 748 CB TYR A 49 6.856 5.533 4.007 1.00 0.01 C ATOM 749 CG TYR A 49 5.704 4.567 4.175 1.00 0.00 C ATOM 750 CD1 TYR A 49 5.901 3.200 3.954 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.440 5.039 4.551 1.00 0.01 C ATOM 752 CE1 TYR A 49 4.836 2.304 4.109 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.375 4.144 4.707 1.00 0.01 C ATOM 754 CZ TYR A 49 3.574 2.777 4.486 1.00 0.02 C ATOM 755 OH TYR A 49 2.524 1.895 4.639 1.00 0.01 O ATOM 0 H TYR A 49 8.780 4.201 2.553 1.00 0.01 H new ATOM 0 HA TYR A 49 6.294 5.786 1.943 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.722 5.185 4.570 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.587 6.510 4.407 1.00 0.01 H new ATOM 0 HD1 TYR A 49 6.875 2.835 3.664 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.287 6.095 4.721 1.00 0.01 H new ATOM 0 HE1 TYR A 49 4.988 1.249 3.938 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.401 4.508 4.998 1.00 0.01 H new ATOM 0 HH TYR A 49 1.719 2.387 4.905 1.00 0.01 H new ATOM 765 N GLU A 50 7.519 7.967 1.947 1.00 0.01 N ATOM 766 CA GLU A 50 8.294 9.204 1.640 1.00 0.01 C ATOM 767 C GLU A 50 8.997 9.761 2.881 1.00 0.01 C ATOM 768 O GLU A 50 10.057 10.345 2.770 1.00 0.02 O ATOM 769 CB GLU A 50 7.326 10.258 1.102 1.00 0.02 C ATOM 770 CG GLU A 50 8.118 11.410 0.482 1.00 0.01 C ATOM 771 CD GLU A 50 7.151 12.422 -0.136 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.424 13.051 0.614 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.156 12.552 -1.348 1.00 0.01 O ATOM 0 H GLU A 50 6.508 8.067 1.858 1.00 0.01 H new ATOM 0 HA GLU A 50 9.061 8.957 0.906 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.666 9.814 0.357 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.693 10.630 1.907 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.731 11.894 1.242 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.798 11.029 -0.280 1.00 0.01 H new ATOM 780 N ARG A 51 8.416 9.626 4.053 1.00 0.02 N ATOM 781 CA ARG A 51 9.062 10.198 5.285 1.00 0.02 C ATOM 782 C ARG A 51 9.261 9.080 6.329 1.00 0.01 C ATOM 783 O ARG A 51 8.589 8.064 6.283 1.00 0.02 O ATOM 784 CB ARG A 51 8.121 11.287 5.853 1.00 0.02 C ATOM 785 CG ARG A 51 8.535 12.671 5.337 1.00 0.01 C ATOM 786 CD ARG A 51 7.437 13.686 5.657 1.00 0.02 C ATOM 787 NE ARG A 51 7.961 15.065 5.453 1.00 0.02 N ATOM 788 CZ ARG A 51 7.136 16.073 5.376 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.851 15.872 5.477 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.596 17.280 5.195 1.00 0.01 N ATOM 0 H ARG A 51 7.529 9.148 4.211 1.00 0.02 H new ATOM 0 HA ARG A 51 10.035 10.627 5.044 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.092 11.076 5.562 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.153 11.273 6.942 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.473 12.977 5.799 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.707 12.633 4.261 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.572 13.516 5.016 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.101 13.562 6.686 1.00 0.02 H new ATOM 0 HE ARG A 51 8.966 15.222 5.373 1.00 0.02 H new ATOM 0 HH11 ARG A 51 5.492 14.927 5.616 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.205 16.659 5.417 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.601 17.436 5.114 1.00 0.01 H new ATOM 0 HH22 ARG A 51 6.951 18.068 5.135 1.00 0.01 H new ATOM 804 N PRO A 52 10.182 9.267 7.264 1.00 0.02 N ATOM 805 CA PRO A 52 10.453 8.237 8.308 1.00 0.02 C ATOM 806 C PRO A 52 9.186 7.801 9.050 1.00 0.01 C ATOM 807 O PRO A 52 8.162 8.454 9.017 1.00 0.02 O ATOM 808 CB PRO A 52 11.450 8.953 9.248 1.00 0.02 C ATOM 809 CG PRO A 52 11.649 10.394 8.739 1.00 0.01 C ATOM 810 CD PRO A 52 11.017 10.504 7.345 1.00 0.01 C ATOM 0 HA PRO A 52 10.842 7.309 7.889 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.070 8.961 10.269 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.402 8.422 9.266 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.186 11.106 9.423 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.710 10.638 8.695 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.414 11.407 7.244 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.772 10.535 6.559 1.00 0.01 H new ATOM 818 N ASN A 53 9.291 6.699 9.746 1.00 0.02 N ATOM 819 CA ASN A 53 8.148 6.179 10.549 1.00 0.02 C ATOM 820 C ASN A 53 6.971 5.790 9.653 1.00 0.01 C ATOM 821 O ASN A 53 5.820 5.958 10.002 1.00 0.01 O ATOM 822 CB ASN A 53 7.710 7.250 11.555 1.00 0.01 C ATOM 823 CG ASN A 53 6.893 6.603 12.677 1.00 0.02 C ATOM 824 OD1 ASN A 53 5.739 6.929 12.870 1.00 0.02 O ATOM 825 ND2 ASN A 53 7.448 5.691 13.429 1.00 0.01 N ATOM 0 H ASN A 53 10.136 6.129 9.791 1.00 0.02 H new ATOM 0 HA ASN A 53 8.474 5.283 11.078 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.584 7.751 11.971 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.115 8.013 11.053 1.00 0.01 H new ATOM 0 HD21 ASN A 53 6.912 5.253 14.178 1.00 0.01 H new ATOM 0 HD22 ASN A 53 8.417 5.417 13.267 1.00 0.01 H new ATOM 832 N PHE A 54 7.267 5.241 8.505 1.00 0.02 N ATOM 833 CA PHE A 54 6.194 4.799 7.571 1.00 0.01 C ATOM 834 C PHE A 54 5.107 5.867 7.450 1.00 0.01 C ATOM 835 O PHE A 54 3.932 5.602 7.606 1.00 0.02 O ATOM 836 CB PHE A 54 5.589 3.490 8.088 1.00 1.78 C ATOM 837 CG PHE A 54 6.688 2.613 8.647 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.688 2.123 7.798 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.709 2.290 10.011 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.706 1.311 8.309 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.730 1.477 10.523 1.00 3.32 C ATOM 842 CZ PHE A 54 8.727 0.987 9.672 1.00 3.39 C ATOM 0 H PHE A 54 8.217 5.079 8.172 1.00 0.02 H new ATOM 0 HA PHE A 54 6.625 4.642 6.582 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.848 3.699 8.860 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.071 2.972 7.281 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.673 2.372 6.747 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.939 2.667 10.667 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.476 0.934 7.653 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.747 1.229 11.574 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.513 0.359 10.066 1.00 3.39 H new ATOM 852 N SER A 55 5.512 7.082 7.168 1.00 0.02 N ATOM 853 CA SER A 55 4.533 8.210 7.025 1.00 0.02 C ATOM 854 C SER A 55 4.731 8.901 5.672 1.00 0.01 C ATOM 855 O SER A 55 5.737 8.720 5.014 1.00 0.01 O ATOM 856 CB SER A 55 4.768 9.220 8.149 1.00 1.90 C ATOM 857 OG SER A 55 3.863 10.306 8.002 1.00 2.33 O ATOM 0 H SER A 55 6.488 7.344 7.029 1.00 0.02 H new ATOM 0 HA SER A 55 3.517 7.819 7.082 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.626 8.742 9.118 1.00 1.90 H new ATOM 0 HB3 SER A 55 5.796 9.582 8.119 1.00 1.90 H new ATOM 0 HG SER A 55 4.010 10.954 8.722 1.00 2.33 H new ATOM 863 N GLY A 56 3.769 9.679 5.240 1.00 0.02 N ATOM 864 CA GLY A 56 3.887 10.369 3.919 1.00 0.02 C ATOM 865 C GLY A 56 3.333 9.464 2.811 1.00 0.02 C ATOM 866 O GLY A 56 2.581 8.545 3.070 1.00 0.00 O ATOM 0 H GLY A 56 2.904 9.866 5.748 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.339 11.311 3.940 1.00 0.02 H new ATOM 0 HA3 GLY A 56 4.930 10.611 3.716 1.00 0.02 H new ATOM 870 N HIS A 57 3.674 9.727 1.578 1.00 0.02 N ATOM 871 CA HIS A 57 3.138 8.892 0.460 1.00 0.02 C ATOM 872 C HIS A 57 3.647 7.454 0.581 1.00 0.01 C ATOM 873 O HIS A 57 4.796 7.228 0.899 1.00 0.01 O ATOM 874 CB HIS A 57 3.591 9.481 -0.877 1.00 0.00 C ATOM 875 CG HIS A 57 3.228 10.940 -0.937 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.345 11.780 0.161 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.747 11.724 -1.958 1.00 0.01 C ATOM 878 CE1 HIS A 57 2.944 13.006 -0.223 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.569 13.028 -1.505 1.00 0.01 N ATOM 0 H HIS A 57 4.299 10.482 1.295 1.00 0.02 H new ATOM 0 HA HIS A 57 2.049 8.888 0.512 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.668 9.359 -0.993 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.119 8.945 -1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.539 11.380 -2.960 1.00 0.01 H new ATOM 0 HE1 HIS A 57 2.927 13.868 0.427 1.00 0.02 H new ATOM 0 HE2 HIS A 57 2.226 13.828 -2.037 1.00 0.01 H new ATOM 887 N MET A 58 2.796 6.483 0.319 1.00 0.02 N ATOM 888 CA MET A 58 3.212 5.043 0.406 1.00 0.02 C ATOM 889 C MET A 58 3.054 4.376 -0.967 1.00 0.01 C ATOM 890 O MET A 58 2.078 4.585 -1.660 1.00 0.01 O ATOM 891 CB MET A 58 2.323 4.325 1.427 1.00 2.61 C ATOM 892 CG MET A 58 0.860 4.343 0.963 1.00 3.46 C ATOM 893 SD MET A 58 0.562 2.944 -0.146 1.00 4.50 S ATOM 894 CE MET A 58 0.068 1.749 1.121 1.00 5.01 C ATOM 0 H MET A 58 1.824 6.630 0.047 1.00 0.02 H new ATOM 0 HA MET A 58 4.255 4.982 0.717 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.659 3.296 1.553 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.409 4.810 2.400 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.194 4.287 1.824 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.641 5.280 0.451 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.367 0.871 0.643 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.942 1.451 1.701 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.669 2.204 1.783 1.00 5.01 H new ATOM 904 N TYR A 59 4.018 3.580 -1.365 1.00 0.02 N ATOM 905 CA TYR A 59 3.953 2.890 -2.699 1.00 0.01 C ATOM 906 C TYR A 59 4.354 1.415 -2.553 1.00 0.01 C ATOM 907 O TYR A 59 5.282 1.073 -1.847 1.00 0.02 O ATOM 908 CB TYR A 59 4.922 3.568 -3.668 1.00 0.01 C ATOM 909 CG TYR A 59 4.396 4.935 -4.035 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.445 5.068 -5.053 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.862 6.069 -3.360 1.00 0.01 C ATOM 912 CE1 TYR A 59 2.959 6.335 -5.397 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.375 7.336 -3.704 1.00 0.01 C ATOM 914 CZ TYR A 59 3.425 7.470 -4.723 1.00 0.01 C ATOM 915 OH TYR A 59 2.947 8.718 -5.060 1.00 0.01 O ATOM 0 H TYR A 59 4.855 3.375 -0.820 1.00 0.02 H new ATOM 0 HA TYR A 59 2.933 2.953 -3.078 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.907 3.657 -3.210 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.041 2.960 -4.565 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.086 4.193 -5.574 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.596 5.967 -2.575 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.225 6.437 -6.182 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.733 8.211 -3.182 1.00 0.01 H new ATOM 0 HH TYR A 59 3.373 9.395 -4.495 1.00 0.01 H new ATOM 925 N ILE A 60 3.650 0.542 -3.239 1.00 0.02 N ATOM 926 CA ILE A 60 3.959 -0.922 -3.185 1.00 0.01 C ATOM 927 C ILE A 60 4.887 -1.279 -4.354 1.00 0.01 C ATOM 928 O ILE A 60 4.634 -0.905 -5.482 1.00 0.01 O ATOM 929 CB ILE A 60 2.658 -1.719 -3.332 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.609 -1.211 -2.332 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.932 -3.206 -3.089 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.156 -1.266 -0.901 1.00 1.72 C ATOM 0 H ILE A 60 2.864 0.788 -3.841 1.00 0.02 H new ATOM 0 HA ILE A 60 4.438 -1.161 -2.235 1.00 0.01 H new ATOM 0 HB ILE A 60 2.273 -1.585 -4.343 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.328 -0.188 -2.580 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.706 -1.817 -2.405 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.005 -3.769 -3.194 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.659 -3.566 -3.817 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.327 -3.343 -2.083 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.398 -0.902 -0.207 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.414 -2.295 -0.649 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.046 -0.640 -0.827 1.00 1.72 H new ATOM 944 N LEU A 61 5.973 -1.977 -4.093 1.00 0.01 N ATOM 945 CA LEU A 61 6.937 -2.335 -5.191 1.00 0.01 C ATOM 946 C LEU A 61 7.096 -3.877 -5.308 1.00 0.01 C ATOM 947 O LEU A 61 7.690 -4.493 -4.442 1.00 0.00 O ATOM 948 CB LEU A 61 8.318 -1.718 -4.851 1.00 0.01 C ATOM 949 CG LEU A 61 8.502 -0.349 -5.540 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.819 0.273 -5.062 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.536 -0.516 -7.079 1.00 0.01 C ATOM 0 H LEU A 61 6.233 -2.314 -3.166 1.00 0.01 H new ATOM 0 HA LEU A 61 6.556 -1.950 -6.137 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.411 -1.600 -3.771 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.110 -2.397 -5.167 1.00 0.01 H new ATOM 0 HG LEU A 61 7.664 0.299 -5.281 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.960 1.241 -5.543 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.787 0.406 -3.981 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.648 -0.385 -5.323 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.666 0.459 -7.548 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.366 -1.166 -7.356 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.600 -0.959 -7.418 1.00 0.01 H new ATOM 963 N PRO A 62 6.619 -4.510 -6.375 1.00 0.02 N ATOM 964 CA PRO A 62 6.816 -5.979 -6.534 1.00 0.01 C ATOM 965 C PRO A 62 8.249 -6.274 -7.017 1.00 0.00 C ATOM 966 O PRO A 62 8.981 -5.378 -7.383 1.00 0.02 O ATOM 967 CB PRO A 62 5.773 -6.336 -7.605 1.00 1.47 C ATOM 968 CG PRO A 62 5.380 -5.036 -8.330 1.00 1.29 C ATOM 969 CD PRO A 62 5.852 -3.844 -7.474 1.00 0.82 C ATOM 0 HA PRO A 62 6.695 -6.551 -5.614 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.182 -7.059 -8.311 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.898 -6.798 -7.147 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.838 -4.999 -9.318 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.301 -4.994 -8.477 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.477 -3.158 -8.045 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.013 -3.265 -7.089 1.00 0.82 H new ATOM 977 N GLN A 63 8.657 -7.516 -7.016 1.00 0.02 N ATOM 978 CA GLN A 63 10.041 -7.847 -7.471 1.00 0.00 C ATOM 979 C GLN A 63 10.303 -7.253 -8.860 1.00 0.00 C ATOM 980 O GLN A 63 9.442 -7.263 -9.716 1.00 0.02 O ATOM 981 CB GLN A 63 10.198 -9.367 -7.538 1.00 1.27 C ATOM 982 CG GLN A 63 11.625 -9.715 -7.969 1.00 1.67 C ATOM 983 CD GLN A 63 11.887 -11.200 -7.722 1.00 2.43 C ATOM 984 OE1 GLN A 63 11.147 -11.850 -7.009 1.00 4.25 O ATOM 985 NE2 GLN A 63 12.917 -11.771 -8.284 1.00 3.04 N ATOM 0 H GLN A 63 8.094 -8.314 -6.721 1.00 0.02 H new ATOM 0 HA GLN A 63 10.756 -7.426 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.983 -9.809 -6.565 1.00 1.27 H new ATOM 0 HB3 GLN A 63 9.481 -9.786 -8.244 1.00 1.27 H new ATOM 0 HG2 GLN A 63 11.764 -9.481 -9.025 1.00 1.67 H new ATOM 0 HG3 GLN A 63 12.341 -9.111 -7.412 1.00 1.67 H new ATOM 0 HE21 GLN A 63 13.538 -11.227 -8.882 1.00 3.04 H new ATOM 0 HE22 GLN A 63 13.101 -12.762 -8.125 1.00 3.04 H new ATOM 994 N GLY A 64 11.489 -6.744 -9.102 1.00 0.02 N ATOM 995 CA GLY A 64 11.783 -6.166 -10.451 1.00 0.01 C ATOM 996 C GLY A 64 12.897 -5.116 -10.366 1.00 0.02 C ATOM 997 O GLY A 64 13.464 -4.871 -9.318 1.00 0.02 O ATOM 0 H GLY A 64 12.257 -6.704 -8.432 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.079 -6.961 -11.135 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.881 -5.712 -10.861 1.00 0.01 H new ATOM 1001 N GLU A 65 13.214 -4.499 -11.478 1.00 0.02 N ATOM 1002 CA GLU A 65 14.293 -3.457 -11.508 1.00 0.02 C ATOM 1003 C GLU A 65 13.714 -2.121 -11.976 1.00 0.02 C ATOM 1004 O GLU A 65 13.033 -2.042 -12.981 1.00 0.02 O ATOM 1005 CB GLU A 65 15.380 -3.901 -12.491 1.00 0.77 C ATOM 1006 CG GLU A 65 16.528 -2.891 -12.477 1.00 0.49 C ATOM 1007 CD GLU A 65 17.706 -3.448 -13.279 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.686 -3.315 -14.491 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.608 -3.998 -12.667 1.00 0.96 O ATOM 0 H GLU A 65 12.767 -4.674 -12.378 1.00 0.02 H new ATOM 0 HA GLU A 65 14.711 -3.337 -10.508 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.749 -4.890 -12.219 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.965 -3.981 -13.496 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.199 -1.944 -12.904 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.836 -2.688 -11.451 1.00 0.49 H new ATOM 1016 N TYR A 66 14.006 -1.064 -11.255 1.00 0.02 N ATOM 1017 CA TYR A 66 13.515 0.295 -11.632 1.00 0.02 C ATOM 1018 C TYR A 66 14.742 1.209 -11.814 1.00 0.02 C ATOM 1019 O TYR A 66 15.222 1.784 -10.853 1.00 0.02 O ATOM 1020 CB TYR A 66 12.651 0.829 -10.488 1.00 0.01 C ATOM 1021 CG TYR A 66 11.483 -0.102 -10.274 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.620 -1.215 -9.434 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.266 0.145 -10.917 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.537 -2.079 -9.239 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.182 -0.721 -10.722 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.319 -1.833 -9.882 1.00 0.02 C ATOM 1027 OH TYR A 66 8.251 -2.686 -9.689 1.00 0.01 O ATOM 0 H TYR A 66 14.573 -1.089 -10.408 1.00 0.02 H new ATOM 0 HA TYR A 66 12.931 0.261 -12.552 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.242 0.907 -9.575 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.294 1.832 -10.723 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.560 -1.406 -8.938 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.162 1.003 -11.564 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.641 -2.937 -8.591 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.242 -0.531 -11.219 1.00 0.02 H new ATOM 0 HH TYR A 66 7.482 -2.370 -10.207 1.00 0.01 H new ATOM 1037 N PRO A 67 15.264 1.340 -13.020 1.00 0.01 N ATOM 1038 CA PRO A 67 16.464 2.196 -13.249 1.00 0.02 C ATOM 1039 C PRO A 67 16.229 3.687 -12.958 1.00 0.02 C ATOM 1040 O PRO A 67 17.152 4.474 -13.011 1.00 0.02 O ATOM 1041 CB PRO A 67 16.778 1.958 -14.743 1.00 0.02 C ATOM 1042 CG PRO A 67 15.817 0.875 -15.275 1.00 0.02 C ATOM 1043 CD PRO A 67 14.722 0.640 -14.220 1.00 0.01 C ATOM 0 HA PRO A 67 17.279 1.934 -12.574 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.658 2.882 -15.308 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.813 1.641 -14.867 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.373 1.192 -16.219 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.359 -0.050 -15.472 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.764 1.055 -14.532 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.563 -0.422 -14.032 1.00 0.01 H new ATOM 1051 N GLU A 68 15.029 4.089 -12.629 1.00 0.01 N ATOM 1052 CA GLU A 68 14.797 5.532 -12.321 1.00 0.01 C ATOM 1053 C GLU A 68 13.539 5.640 -11.458 1.00 0.03 C ATOM 1054 O GLU A 68 12.684 4.777 -11.456 1.00 0.02 O ATOM 1055 CB GLU A 68 14.589 6.328 -13.615 1.00 0.69 C ATOM 1056 CG GLU A 68 15.902 6.419 -14.395 1.00 1.09 C ATOM 1057 CD GLU A 68 15.783 7.500 -15.472 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.693 8.016 -15.649 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.787 7.792 -16.102 1.00 2.02 O ATOM 0 H GLU A 68 14.207 3.488 -12.561 1.00 0.01 H new ATOM 0 HA GLU A 68 15.663 5.938 -11.797 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.826 5.848 -14.228 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.226 7.329 -13.381 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.724 6.654 -13.718 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.132 5.457 -14.854 1.00 1.09 H new ATOM 1066 N TYR A 69 13.450 6.685 -10.689 1.00 0.02 N ATOM 1067 CA TYR A 69 12.290 6.846 -9.769 1.00 0.02 C ATOM 1068 C TYR A 69 10.958 6.876 -10.522 1.00 0.01 C ATOM 1069 O TYR A 69 9.972 6.324 -10.075 1.00 0.01 O ATOM 1070 CB TYR A 69 12.473 8.117 -8.934 1.00 0.02 C ATOM 1071 CG TYR A 69 12.487 9.326 -9.839 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.658 9.676 -10.523 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.330 10.100 -9.992 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.672 10.800 -11.358 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.344 11.222 -10.827 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.514 11.573 -11.510 1.00 0.02 C ATOM 1077 OH TYR A 69 12.526 12.681 -12.334 1.00 0.01 O ATOM 0 H TYR A 69 14.134 7.441 -10.657 1.00 0.02 H new ATOM 0 HA TYR A 69 12.257 5.979 -9.109 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.666 8.205 -8.207 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.405 8.062 -8.371 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.550 9.079 -10.406 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.427 9.830 -9.465 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.575 11.071 -11.885 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.451 11.818 -10.945 1.00 0.02 H new ATOM 0 HH TYR A 69 11.642 13.103 -12.327 1.00 0.01 H new ATOM 1087 N GLN A 70 10.916 7.519 -11.657 1.00 0.01 N ATOM 1088 CA GLN A 70 9.648 7.584 -12.440 1.00 0.02 C ATOM 1089 C GLN A 70 9.179 6.172 -12.815 1.00 0.01 C ATOM 1090 O GLN A 70 8.011 5.935 -13.052 1.00 0.02 O ATOM 1091 CB GLN A 70 9.889 8.388 -13.720 1.00 0.01 C ATOM 1092 CG GLN A 70 10.385 9.789 -13.360 1.00 0.01 C ATOM 1093 CD GLN A 70 10.386 10.670 -14.613 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.341 11.069 -15.088 1.00 0.01 O ATOM 1095 NE2 GLN A 70 11.522 10.991 -15.169 1.00 0.02 N ATOM 0 H GLN A 70 11.708 8.004 -12.078 1.00 0.01 H new ATOM 0 HA GLN A 70 8.881 8.064 -11.832 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.623 7.881 -14.347 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.968 8.455 -14.298 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.744 10.227 -12.595 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.390 9.734 -12.941 1.00 0.01 H new ATOM 0 HE21 GLN A 70 12.398 10.655 -14.769 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.534 11.578 -16.003 1.00 0.02 H new ATOM 1104 N ARG A 71 10.090 5.234 -12.863 1.00 0.01 N ATOM 1105 CA ARG A 71 9.703 3.837 -13.216 1.00 0.02 C ATOM 1106 C ARG A 71 8.906 3.234 -12.060 1.00 0.01 C ATOM 1107 O ARG A 71 8.194 2.260 -12.213 1.00 0.02 O ATOM 1108 CB ARG A 71 10.959 3.005 -13.479 1.00 0.34 C ATOM 1109 CG ARG A 71 11.718 3.592 -14.679 1.00 0.72 C ATOM 1110 CD ARG A 71 10.929 3.376 -15.984 1.00 1.04 C ATOM 1111 NE ARG A 71 10.012 4.530 -16.209 1.00 1.67 N ATOM 1112 CZ ARG A 71 9.469 4.711 -17.381 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.722 3.878 -18.354 1.00 2.54 N ATOM 1114 NH2 ARG A 71 8.669 5.724 -17.582 1.00 3.42 N ATOM 0 H ARG A 71 11.082 5.375 -12.673 1.00 0.01 H new ATOM 0 HA ARG A 71 9.090 3.840 -14.117 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.598 3.002 -12.596 1.00 0.34 H new ATOM 0 HB3 ARG A 71 10.687 1.969 -13.678 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.886 4.658 -14.523 1.00 0.72 H new ATOM 0 HG3 ARG A 71 12.699 3.123 -14.760 1.00 0.72 H new ATOM 0 HD2 ARG A 71 11.616 3.275 -16.824 1.00 1.04 H new ATOM 0 HD3 ARG A 71 10.357 2.450 -15.927 1.00 1.04 H new ATOM 0 HE ARG A 71 9.810 5.177 -15.447 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.345 3.085 -18.198 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.297 4.020 -19.270 1.00 2.54 H new ATOM 0 HH21 ARG A 71 8.469 6.374 -16.822 1.00 3.42 H new ATOM 0 HH22 ARG A 71 8.245 5.865 -18.499 1.00 3.42 H new ATOM 1128 N TRP A 72 9.027 3.826 -10.903 1.00 0.02 N ATOM 1129 CA TRP A 72 8.299 3.340 -9.696 1.00 0.01 C ATOM 1130 C TRP A 72 7.185 4.352 -9.392 1.00 0.01 C ATOM 1131 O TRP A 72 6.534 4.308 -8.368 1.00 0.02 O ATOM 1132 CB TRP A 72 9.332 3.233 -8.547 1.00 0.02 C ATOM 1133 CG TRP A 72 8.729 3.526 -7.208 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.744 2.814 -6.618 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.078 4.593 -6.278 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.459 3.381 -5.387 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.256 4.480 -5.135 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.018 5.639 -6.321 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.362 5.374 -4.068 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.127 6.540 -5.248 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.301 6.407 -4.125 1.00 0.02 C ATOM 0 H TRP A 72 9.613 4.645 -10.741 1.00 0.02 H new ATOM 0 HA TRP A 72 7.840 2.361 -9.835 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.759 2.230 -8.538 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.152 3.927 -8.733 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.259 1.945 -7.037 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.748 3.030 -4.746 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.659 5.750 -7.183 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.722 5.268 -3.204 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.852 7.340 -5.290 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.390 7.102 -3.304 1.00 0.02 H new ATOM 1152 N MET A 73 6.967 5.261 -10.301 1.00 0.02 N ATOM 1153 CA MET A 73 5.908 6.294 -10.114 1.00 0.02 C ATOM 1154 C MET A 73 6.199 7.142 -8.869 1.00 0.01 C ATOM 1155 O MET A 73 5.317 7.750 -8.295 1.00 0.02 O ATOM 1156 CB MET A 73 4.544 5.612 -9.962 1.00 0.02 C ATOM 1157 CG MET A 73 4.420 4.477 -10.980 1.00 0.01 C ATOM 1158 SD MET A 73 2.687 3.972 -11.111 1.00 0.01 S ATOM 1159 CE MET A 73 2.917 2.692 -12.370 1.00 0.01 C ATOM 0 H MET A 73 7.484 5.333 -11.177 1.00 0.02 H new ATOM 0 HA MET A 73 5.897 6.945 -10.988 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.433 5.221 -8.951 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.745 6.338 -10.113 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.789 4.804 -11.952 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.035 3.630 -10.674 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.955 2.238 -12.607 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.339 3.139 -13.270 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.596 1.927 -11.992 1.00 0.01 H new ATOM 1169 N GLY A 74 7.438 7.179 -8.450 1.00 0.02 N ATOM 1170 CA GLY A 74 7.795 7.979 -7.245 1.00 0.02 C ATOM 1171 C GLY A 74 7.426 9.440 -7.481 1.00 0.01 C ATOM 1172 O GLY A 74 7.578 9.959 -8.568 1.00 0.01 O ATOM 0 H GLY A 74 8.216 6.689 -8.892 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.268 7.596 -6.371 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.862 7.890 -7.039 1.00 0.02 H new ATOM 1176 N LEU A 75 6.986 10.127 -6.462 1.00 0.02 N ATOM 1177 CA LEU A 75 6.662 11.571 -6.636 1.00 0.02 C ATOM 1178 C LEU A 75 7.985 12.346 -6.615 1.00 0.01 C ATOM 1179 O LEU A 75 8.143 13.354 -7.274 1.00 0.02 O ATOM 1180 CB LEU A 75 5.741 12.034 -5.499 1.00 0.55 C ATOM 1181 CG LEU A 75 5.563 13.557 -5.539 1.00 0.58 C ATOM 1182 CD1 LEU A 75 5.078 13.994 -6.928 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.529 13.966 -4.484 1.00 0.42 C ATOM 0 H LEU A 75 6.838 9.755 -5.524 1.00 0.02 H new ATOM 0 HA LEU A 75 6.143 11.746 -7.578 1.00 0.02 H new ATOM 0 HB2 LEU A 75 4.770 11.546 -5.588 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.161 11.736 -4.538 1.00 0.55 H new ATOM 0 HG LEU A 75 6.518 14.039 -5.331 1.00 0.58 H new ATOM 0 HD11 LEU A 75 4.955 15.077 -6.946 1.00 0.98 H new ATOM 0 HD12 LEU A 75 5.811 13.700 -7.679 1.00 0.98 H new ATOM 0 HD13 LEU A 75 4.123 13.516 -7.147 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.396 15.048 -4.505 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.578 13.479 -4.699 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.877 13.663 -3.497 1.00 0.42 H new ATOM 1195 N ASN A 76 8.949 11.850 -5.883 1.00 0.01 N ATOM 1196 CA ASN A 76 10.289 12.486 -5.809 1.00 0.02 C ATOM 1197 C ASN A 76 11.265 11.388 -5.381 1.00 0.02 C ATOM 1198 O ASN A 76 10.902 10.229 -5.342 1.00 0.02 O ATOM 1199 CB ASN A 76 10.276 13.621 -4.780 1.00 0.02 C ATOM 1200 CG ASN A 76 11.625 14.342 -4.798 1.00 0.02 C ATOM 1201 OD1 ASN A 76 12.291 14.386 -5.812 1.00 0.01 O ATOM 1202 ND2 ASN A 76 12.060 14.914 -3.707 1.00 0.02 N ATOM 0 H ASN A 76 8.855 11.005 -5.319 1.00 0.01 H new ATOM 0 HA ASN A 76 10.579 12.917 -6.767 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.474 14.323 -5.007 1.00 0.02 H new ATOM 0 HB3 ASN A 76 10.078 13.222 -3.785 1.00 0.02 H new ATOM 0 HD21 ASN A 76 12.958 15.397 -3.708 1.00 0.02 H new ATOM 0 HD22 ASN A 76 11.501 14.878 -2.854 1.00 0.02 H new ATOM 1209 N ASP A 77 12.494 11.712 -5.068 1.00 0.01 N ATOM 1210 CA ASP A 77 13.466 10.645 -4.659 1.00 0.01 C ATOM 1211 C ASP A 77 13.577 10.578 -3.132 1.00 0.01 C ATOM 1212 O ASP A 77 14.614 10.225 -2.603 1.00 0.01 O ATOM 1213 CB ASP A 77 14.844 10.969 -5.244 1.00 0.01 C ATOM 1214 CG ASP A 77 15.163 12.448 -5.011 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.626 13.270 -5.735 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.937 12.732 -4.112 1.00 0.01 O ATOM 0 H ASP A 77 12.867 12.661 -5.077 1.00 0.01 H new ATOM 0 HA ASP A 77 13.112 9.684 -5.033 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.605 10.344 -4.777 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.859 10.746 -6.311 1.00 0.01 H new ATOM 1221 N ARG A 78 12.538 10.931 -2.412 1.00 0.01 N ATOM 1222 CA ARG A 78 12.614 10.905 -0.915 1.00 0.01 C ATOM 1223 C ARG A 78 11.999 9.617 -0.351 1.00 0.02 C ATOM 1224 O ARG A 78 10.841 9.329 -0.563 1.00 0.02 O ATOM 1225 CB ARG A 78 11.869 12.117 -0.351 1.00 0.43 C ATOM 1226 CG ARG A 78 12.655 13.401 -0.660 1.00 0.80 C ATOM 1227 CD ARG A 78 13.983 13.438 0.135 1.00 1.00 C ATOM 1228 NE ARG A 78 14.171 14.787 0.764 1.00 1.30 N ATOM 1229 CZ ARG A 78 13.982 15.889 0.083 1.00 2.30 C ATOM 1230 NH1 ARG A 78 13.714 15.839 -1.193 1.00 2.72 N ATOM 1231 NH2 ARG A 78 14.091 17.045 0.678 1.00 3.20 N ATOM 0 H ARG A 78 11.643 11.235 -2.795 1.00 0.01 H new ATOM 0 HA ARG A 78 13.663 10.938 -0.621 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.871 12.177 -0.786 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.741 12.008 0.726 1.00 0.43 H new ATOM 0 HG2 ARG A 78 12.864 13.457 -1.728 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.051 14.272 -0.408 1.00 0.80 H new ATOM 0 HD2 ARG A 78 13.976 12.667 0.905 1.00 1.00 H new ATOM 0 HD3 ARG A 78 14.819 13.218 -0.529 1.00 1.00 H new ATOM 0 HE ARG A 78 14.452 14.847 1.743 1.00 1.30 H new ATOM 0 HH11 ARG A 78 13.651 14.937 -1.666 1.00 2.72 H new ATOM 0 HH12 ARG A 78 13.568 16.701 -1.718 1.00 2.72 H new ATOM 0 HH21 ARG A 78 14.323 17.088 1.670 1.00 3.20 H new ATOM 0 HH22 ARG A 78 13.944 17.906 0.151 1.00 3.20 H new ATOM 1245 N LEU A 79 12.761 8.870 0.406 1.00 0.01 N ATOM 1246 CA LEU A 79 12.231 7.621 1.043 1.00 0.01 C ATOM 1247 C LEU A 79 12.860 7.514 2.433 1.00 0.01 C ATOM 1248 O LEU A 79 14.068 7.484 2.569 1.00 0.02 O ATOM 1249 CB LEU A 79 12.617 6.384 0.219 1.00 1.04 C ATOM 1250 CG LEU A 79 11.786 6.309 -1.076 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.216 5.071 -1.878 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.277 6.215 -0.750 1.00 2.61 C ATOM 0 H LEU A 79 13.739 9.072 0.614 1.00 0.01 H new ATOM 0 HA LEU A 79 11.143 7.666 1.099 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.678 6.421 -0.026 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.458 5.483 0.811 1.00 1.04 H new ATOM 0 HG LEU A 79 11.959 7.212 -1.661 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.632 5.011 -2.796 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.275 5.148 -2.126 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.047 4.174 -1.282 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.707 6.163 -1.678 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.088 5.320 -0.157 1.00 2.61 H new ATOM 0 HD23 LEU A 79 9.971 7.096 -0.185 1.00 2.61 H new ATOM 1264 N GLY A 80 12.059 7.500 3.474 1.00 0.02 N ATOM 1265 CA GLY A 80 12.616 7.447 4.864 1.00 0.02 C ATOM 1266 C GLY A 80 12.414 6.075 5.516 1.00 0.02 C ATOM 1267 O GLY A 80 13.073 5.753 6.486 1.00 0.01 O ATOM 0 H GLY A 80 11.041 7.523 3.420 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.680 7.681 4.836 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.137 8.212 5.475 1.00 0.02 H new ATOM 1271 N SER A 81 11.526 5.251 5.018 1.00 0.01 N ATOM 1272 CA SER A 81 11.330 3.914 5.661 1.00 0.01 C ATOM 1273 C SER A 81 10.754 2.918 4.662 1.00 0.02 C ATOM 1274 O SER A 81 10.117 3.279 3.691 1.00 0.01 O ATOM 1275 CB SER A 81 10.366 4.048 6.835 1.00 0.01 C ATOM 1276 OG SER A 81 10.791 5.106 7.670 1.00 0.01 O ATOM 0 H SER A 81 10.937 5.441 4.207 1.00 0.01 H new ATOM 0 HA SER A 81 12.298 3.553 6.008 1.00 0.01 H new ATOM 0 HB2 SER A 81 9.356 4.240 6.471 1.00 0.01 H new ATOM 0 HB3 SER A 81 10.330 3.116 7.399 1.00 0.01 H new ATOM 0 HG SER A 81 10.694 4.841 8.609 1.00 0.01 H new ATOM 1282 N CYS A 82 10.979 1.652 4.909 1.00 0.02 N ATOM 1283 CA CYS A 82 10.452 0.596 3.994 1.00 0.01 C ATOM 1284 C CYS A 82 10.059 -0.640 4.809 1.00 0.01 C ATOM 1285 O CYS A 82 10.664 -0.951 5.815 1.00 0.01 O ATOM 1286 CB CYS A 82 11.526 0.215 2.972 1.00 0.01 C ATOM 1287 SG CYS A 82 12.196 1.716 2.216 1.00 0.02 S ATOM 0 H CYS A 82 11.508 1.304 5.709 1.00 0.02 H new ATOM 0 HA CYS A 82 9.576 0.979 3.470 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.323 -0.347 3.458 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.101 -0.433 2.205 1.00 0.01 H new ATOM 0 HG CYS A 82 11.375 2.705 2.413 1.00 0.02 H new ATOM 1293 N ARG A 83 9.053 -1.353 4.370 1.00 0.01 N ATOM 1294 CA ARG A 83 8.610 -2.583 5.103 1.00 0.01 C ATOM 1295 C ARG A 83 8.313 -3.689 4.093 1.00 0.01 C ATOM 1296 O ARG A 83 7.788 -3.448 3.025 1.00 0.01 O ATOM 1297 CB ARG A 83 7.323 -2.286 5.874 1.00 0.01 C ATOM 1298 CG ARG A 83 7.579 -1.163 6.882 1.00 0.01 C ATOM 1299 CD ARG A 83 6.276 -0.810 7.598 1.00 0.01 C ATOM 1300 NE ARG A 83 5.670 -2.047 8.164 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.726 -1.960 9.059 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.309 -0.786 9.454 1.00 0.01 N ATOM 1303 NH2 ARG A 83 4.199 -3.043 9.560 1.00 0.01 N ATOM 0 H ARG A 83 8.515 -1.137 3.531 1.00 0.01 H new ATOM 0 HA ARG A 83 9.397 -2.892 5.790 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.532 -1.995 5.183 1.00 0.01 H new ATOM 0 HB3 ARG A 83 6.981 -3.183 6.391 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.331 -1.476 7.607 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.974 -0.285 6.371 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.469 -0.090 8.393 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.582 -0.338 6.902 1.00 0.01 H new ATOM 0 HE ARG A 83 5.994 -2.962 7.851 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.722 0.060 9.062 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.571 -0.716 10.154 1.00 0.01 H new ATOM 0 HH21 ARG A 83 4.525 -3.959 9.252 1.00 0.01 H new ATOM 0 HH22 ARG A 83 3.461 -2.974 10.260 1.00 0.01 H new ATOM 1317 N ALA A 84 8.648 -4.908 4.423 1.00 0.01 N ATOM 1318 CA ALA A 84 8.389 -6.032 3.485 1.00 0.01 C ATOM 1319 C ALA A 84 6.917 -6.436 3.574 1.00 0.01 C ATOM 1320 O ALA A 84 6.368 -6.619 4.642 1.00 0.00 O ATOM 1321 CB ALA A 84 9.262 -7.232 3.863 1.00 0.43 C ATOM 0 H ALA A 84 9.090 -5.171 5.304 1.00 0.01 H new ATOM 0 HA ALA A 84 8.626 -5.715 2.469 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.069 -8.054 3.173 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.313 -6.949 3.806 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.026 -7.548 4.879 1.00 0.43 H new ATOM 1327 N VAL A 85 6.286 -6.595 2.445 1.00 0.01 N ATOM 1328 CA VAL A 85 4.858 -7.010 2.424 1.00 0.01 C ATOM 1329 C VAL A 85 4.803 -8.534 2.395 1.00 0.01 C ATOM 1330 O VAL A 85 5.361 -9.161 1.516 1.00 0.01 O ATOM 1331 CB VAL A 85 4.173 -6.450 1.174 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.663 -6.695 1.259 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.433 -4.945 1.078 1.00 1.12 C ATOM 0 H VAL A 85 6.705 -6.453 1.526 1.00 0.01 H new ATOM 0 HA VAL A 85 4.345 -6.629 3.307 1.00 0.01 H new ATOM 0 HB VAL A 85 4.575 -6.949 0.292 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.179 -6.295 0.368 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.471 -7.766 1.327 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.263 -6.198 2.143 1.00 1.25 H new ATOM 0 HG21 VAL A 85 3.945 -4.548 0.188 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.033 -4.450 1.963 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.506 -4.764 1.015 1.00 1.12 H new ATOM 1343 N HIS A 86 4.135 -9.148 3.330 1.00 0.01 N ATOM 1344 CA HIS A 86 4.050 -10.634 3.322 1.00 0.01 C ATOM 1345 C HIS A 86 2.808 -11.030 2.536 1.00 0.01 C ATOM 1346 O HIS A 86 1.730 -10.510 2.750 1.00 0.00 O ATOM 1347 CB HIS A 86 3.927 -11.150 4.756 1.00 0.21 C ATOM 1348 CG HIS A 86 5.115 -10.693 5.557 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.405 -10.730 5.051 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.224 -10.190 6.829 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.228 -10.260 6.006 1.00 1.77 C ATOM 1352 NE2 HIS A 86 6.559 -9.916 7.110 1.00 1.71 N ATOM 0 H HIS A 86 3.646 -8.687 4.097 1.00 0.01 H new ATOM 0 HA HIS A 86 4.944 -11.061 2.867 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.006 -10.782 5.209 1.00 0.21 H new ATOM 0 HB3 HIS A 86 3.870 -12.239 4.759 1.00 0.21 H new ATOM 0 HD2 HIS A 86 4.400 -10.031 7.508 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.299 -10.172 5.894 1.00 1.77 H new ATOM 0 HE2 HIS A 86 6.944 -9.534 7.974 1.00 1.71 H new ATOM 1360 N LEU A 87 2.948 -11.951 1.621 1.00 0.01 N ATOM 1361 CA LEU A 87 1.780 -12.393 0.808 1.00 0.01 C ATOM 1362 C LEU A 87 1.214 -13.661 1.445 1.00 0.01 C ATOM 1363 O LEU A 87 1.950 -14.549 1.829 1.00 0.01 O ATOM 1364 CB LEU A 87 2.249 -12.697 -0.632 1.00 0.67 C ATOM 1365 CG LEU A 87 3.448 -11.813 -1.005 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.842 -12.089 -2.459 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.081 -10.329 -0.845 1.00 1.34 C ATOM 0 H LEU A 87 3.827 -12.419 1.401 1.00 0.01 H new ATOM 0 HA LEU A 87 1.017 -11.616 0.776 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.524 -13.748 -0.717 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.431 -12.524 -1.331 1.00 0.67 H new ATOM 0 HG LEU A 87 4.284 -12.043 -0.344 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.693 -11.464 -2.730 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.113 -13.139 -2.570 1.00 1.63 H new ATOM 0 HD13 LEU A 87 3.001 -11.860 -3.114 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.938 -9.711 -1.112 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.243 -10.089 -1.499 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.801 -10.133 0.190 1.00 1.34 H new ATOM 1379 N SER A 88 -0.087 -13.766 1.538 1.00 0.01 N ATOM 1380 CA SER A 88 -0.721 -14.985 2.122 1.00 0.01 C ATOM 1381 C SER A 88 -1.414 -15.753 1.002 1.00 0.01 C ATOM 1382 O SER A 88 -2.252 -15.200 0.319 1.00 0.01 O ATOM 1383 CB SER A 88 -1.758 -14.580 3.169 1.00 0.81 C ATOM 1384 OG SER A 88 -2.379 -15.748 3.689 1.00 1.08 O ATOM 0 H SER A 88 -0.744 -13.050 1.230 1.00 0.01 H new ATOM 0 HA SER A 88 0.040 -15.606 2.595 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.281 -14.019 3.973 1.00 0.81 H new ATOM 0 HB3 SER A 88 -2.506 -13.924 2.723 1.00 0.81 H new ATOM 0 HG SER A 88 -3.044 -15.493 4.362 1.00 1.08 H new ATOM 1390 N SER A 89 -1.140 -17.019 0.823 1.00 0.01 N ATOM 1391 CA SER A 89 -1.866 -17.791 -0.233 1.00 0.01 C ATOM 1392 C SER A 89 -2.903 -18.633 0.499 1.00 0.01 C ATOM 1393 O SER A 89 -3.288 -18.289 1.599 1.00 0.01 O ATOM 1394 CB SER A 89 -0.885 -18.702 -0.975 1.00 0.43 C ATOM 1395 OG SER A 89 -1.579 -19.410 -1.993 1.00 1.26 O ATOM 0 H SER A 89 -0.451 -17.549 1.356 1.00 0.01 H new ATOM 0 HA SER A 89 -2.331 -17.131 -0.966 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.081 -18.110 -1.412 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.424 -19.402 -0.279 1.00 0.43 H new ATOM 0 HG SER A 89 -0.953 -19.993 -2.471 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.342 -19.739 -0.046 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.330 -20.592 0.687 1.00 0.00 C ATOM 1403 C GLY A 90 -5.466 -21.054 -0.223 1.00 0.00 C ATOM 1404 O GLY A 90 -5.784 -22.225 -0.269 1.00 0.01 O ATOM 0 H GLY A 90 -3.062 -20.088 -0.962 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.821 -21.462 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.742 -20.032 1.526 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.086 -20.166 -0.956 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.187 -20.617 -1.848 1.00 0.00 C ATOM 1410 C GLY A 91 -7.821 -19.446 -2.612 1.00 0.00 C ATOM 1411 O GLY A 91 -7.297 -19.011 -3.619 1.00 0.01 O ATOM 0 H GLY A 91 -5.881 -19.167 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.802 -21.348 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.951 -21.120 -1.256 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.943 -18.941 -2.155 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.617 -17.800 -2.869 1.00 2.31 C ATOM 1417 C GLN A 92 -9.757 -16.588 -1.939 1.00 1.91 C ATOM 1418 O GLN A 92 -10.361 -16.653 -0.886 1.00 2.31 O ATOM 1419 CB GLN A 92 -10.991 -18.268 -3.356 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.555 -17.252 -4.351 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.002 -17.617 -4.689 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.773 -17.961 -3.815 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.405 -17.554 -5.928 1.00 4.43 N ATOM 0 H GLN A 92 -9.425 -19.268 -1.317 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.012 -17.494 -3.722 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.907 -19.247 -3.828 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.669 -18.379 -2.510 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.512 -16.249 -3.927 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -10.950 -17.241 -5.258 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.757 -17.265 -6.661 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.368 -17.794 -6.164 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.162 -15.484 -2.327 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.215 -14.257 -1.475 1.00 0.01 C ATOM 1434 C ALA A 93 -10.662 -13.743 -1.413 1.00 0.01 C ATOM 1435 O ALA A 93 -11.366 -13.753 -2.404 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.314 -13.184 -2.091 1.00 2.99 C ATOM 0 H ALA A 93 -8.642 -15.382 -3.198 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.872 -14.489 -0.467 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.346 -12.285 -1.476 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.290 -13.553 -2.140 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.663 -12.949 -3.096 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.133 -13.341 -0.241 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.574 -12.878 -0.123 1.00 0.01 C ATOM 1444 C LYS A 94 -12.724 -11.576 0.691 1.00 0.01 C ATOM 1445 O LYS A 94 -12.210 -11.434 1.814 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.401 -13.977 0.551 1.00 2.49 C ATOM 1447 CG LYS A 94 -14.895 -13.723 0.305 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.746 -14.706 1.123 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.827 -16.060 0.408 1.00 5.23 C ATOM 1450 NZ LYS A 94 -16.388 -15.870 -0.959 1.00 6.36 N ATOM 0 H LYS A 94 -10.595 -13.313 0.625 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.928 -12.675 -1.134 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.118 -14.953 0.156 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.196 -13.995 1.621 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.146 -12.699 0.579 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.119 -13.833 -0.756 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.312 -14.836 2.115 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -16.748 -14.301 1.264 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -14.836 -16.510 0.346 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -16.454 -16.746 0.977 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -17.314 -16.338 -1.022 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -16.500 -14.854 -1.150 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -15.742 -16.285 -1.660 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.465 -10.626 0.125 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.718 -9.314 0.805 1.00 0.01 C ATOM 1466 C ILE A 95 -15.224 -8.972 0.761 1.00 0.01 C ATOM 1467 O ILE A 95 -15.896 -9.182 -0.233 1.00 0.01 O ATOM 1468 CB ILE A 95 -12.908 -8.221 0.079 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.416 -6.820 0.463 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.050 -8.406 -1.432 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.436 -5.756 -0.043 1.00 1.09 C ATOM 0 H ILE A 95 -13.905 -10.717 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.410 -9.374 1.849 1.00 0.01 H new ATOM 0 HB ILE A 95 -11.863 -8.310 0.374 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.404 -6.651 0.034 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.521 -6.745 1.545 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.478 -7.635 -1.948 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.672 -9.388 -1.715 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.101 -8.327 -1.711 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -12.800 -4.766 0.231 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.457 -5.920 0.407 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.353 -5.824 -1.128 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.733 -8.390 1.827 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.173 -7.955 1.877 1.00 0.01 C ATOM 1485 C GLN A 96 -17.200 -6.456 2.216 1.00 0.01 C ATOM 1486 O GLN A 96 -16.429 -6.008 3.039 1.00 0.00 O ATOM 1487 CB GLN A 96 -17.939 -8.767 2.933 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.027 -9.089 4.115 1.00 0.82 C ATOM 1489 CD GLN A 96 -17.859 -9.712 5.239 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -18.413 -9.010 6.059 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -17.969 -11.012 5.311 1.00 2.05 N ATOM 0 H GLN A 96 -15.204 -8.195 2.677 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.657 -8.128 0.916 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.806 -8.204 3.277 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.313 -9.690 2.491 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.240 -9.776 3.805 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.537 -8.182 4.469 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -17.503 -11.602 4.622 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.521 -11.437 6.057 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.064 -5.668 1.601 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.103 -4.192 1.904 1.00 0.01 C ATOM 1502 C VAL A 97 -19.508 -3.761 2.359 1.00 0.01 C ATOM 1503 O VAL A 97 -20.511 -4.284 1.909 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.719 -3.423 0.639 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.329 -3.867 0.178 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.736 -3.719 -0.467 1.00 1.03 C ATOM 0 H VAL A 97 -18.741 -5.983 0.906 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.402 -3.976 2.710 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.712 -2.354 0.852 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.053 -3.320 -0.724 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.602 -3.662 0.964 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.341 -4.936 -0.035 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.463 -3.171 -1.369 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.742 -4.788 -0.680 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.729 -3.409 -0.141 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.574 -2.816 3.281 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.896 -2.341 3.820 1.00 0.01 C ATOM 1518 C PHE A 98 -21.088 -0.837 3.570 1.00 0.01 C ATOM 1519 O PHE A 98 -20.169 -0.033 3.688 1.00 0.01 O ATOM 1520 CB PHE A 98 -20.942 -2.597 5.328 1.00 0.25 C ATOM 1521 CG PHE A 98 -20.929 -4.084 5.599 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.759 -4.822 5.387 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.084 -4.725 6.069 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -19.741 -6.199 5.642 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.066 -6.102 6.325 1.00 0.73 C ATOM 1526 CZ PHE A 98 -20.895 -6.839 6.112 1.00 0.69 C ATOM 0 H PHE A 98 -18.760 -2.352 3.684 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.691 -2.885 3.310 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.088 -2.123 5.812 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.839 -2.149 5.754 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -18.868 -4.329 5.026 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -22.988 -4.157 6.234 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -18.838 -6.767 5.476 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -22.956 -6.595 6.687 1.00 0.73 H new ATOM 0 HZ PHE A 98 -20.881 -7.901 6.310 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.296 -0.463 3.222 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.603 0.970 2.936 1.00 0.01 C ATOM 1538 C GLU A 99 -22.528 1.826 4.209 1.00 0.01 C ATOM 1539 O GLU A 99 -22.155 2.980 4.152 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.013 1.067 2.335 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.432 2.536 2.161 1.00 0.01 C ATOM 1542 CD GLU A 99 -23.381 3.293 1.346 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -22.347 3.624 1.903 1.00 0.02 O ATOM 1544 OE2 GLU A 99 -23.632 3.538 0.178 1.00 0.01 O ATOM 0 H GLU A 99 -23.089 -1.097 3.124 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.861 1.349 2.233 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.038 0.560 1.370 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.725 0.555 2.982 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -25.399 2.589 1.660 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -24.553 3.005 3.137 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.882 1.285 5.356 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.833 2.094 6.624 1.00 0.01 C ATOM 1553 C LYS A 100 -21.787 1.517 7.577 1.00 0.01 C ATOM 1554 O LYS A 100 -21.266 0.440 7.373 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.202 2.081 7.310 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.267 2.578 6.333 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.656 2.337 6.927 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.712 3.000 6.042 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.573 4.483 6.130 1.00 3.18 N ATOM 0 H LYS A 100 -23.201 0.323 5.469 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.564 3.119 6.370 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.443 1.072 7.645 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.182 2.715 8.196 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.125 3.640 6.133 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.172 2.058 5.380 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.850 1.267 7.003 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.706 2.743 7.937 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.594 2.673 5.009 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -28.710 2.698 6.359 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.475 4.932 5.873 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -27.317 4.751 7.102 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -26.829 4.801 5.476 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.475 2.244 8.609 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.452 1.777 9.588 1.00 0.01 C ATOM 1575 C GLY A 101 -20.977 0.591 10.404 1.00 0.00 C ATOM 1576 O GLY A 101 -22.151 0.265 10.386 1.00 0.01 O ATOM 0 H GLY A 101 -21.888 3.152 8.821 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.544 1.487 9.060 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.184 2.594 10.258 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.088 -0.034 11.133 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.455 -1.186 12.006 1.00 0.00 C ATOM 1582 C ASP A 102 -21.199 -2.269 11.228 1.00 0.00 C ATOM 1583 O ASP A 102 -22.117 -2.892 11.724 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.330 -0.685 13.156 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.542 0.323 13.993 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.411 0.606 13.634 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.083 0.798 14.978 1.00 0.01 O ATOM 0 H ASP A 102 -19.099 0.214 11.159 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.537 -1.627 12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.234 -0.220 12.763 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.646 -1.522 13.778 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.782 -2.516 10.018 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.420 -3.579 9.196 1.00 0.01 C ATOM 1594 C PHE A 103 -22.934 -3.390 9.133 1.00 0.00 C ATOM 1595 O PHE A 103 -23.691 -4.322 9.316 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.101 -4.943 9.813 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.655 -4.968 10.251 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.636 -5.081 9.297 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.331 -4.877 11.611 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.295 -5.103 9.701 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.991 -4.900 12.015 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.973 -5.012 11.061 1.00 0.01 C ATOM 0 H PHE A 103 -20.018 -2.020 9.559 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.027 -3.520 8.181 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.754 -5.131 10.665 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.287 -5.735 9.088 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.884 -5.151 8.248 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.116 -4.789 12.348 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.510 -5.190 8.964 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.742 -4.831 13.064 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.939 -5.028 11.374 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.378 -2.192 8.847 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.845 -1.922 8.732 1.00 0.01 C ATOM 1614 C ASN A 104 -25.129 -1.391 7.326 1.00 0.01 C ATOM 1615 O ASN A 104 -24.228 -1.004 6.606 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.262 -0.868 9.762 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.187 -1.471 11.165 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -24.827 -2.716 11.308 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 -25.455 -0.800 12.142 1.00 2.38 N flip ATOM 0 H ASN A 104 -22.781 -1.381 8.687 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.406 -2.839 8.914 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.609 0.002 9.693 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.275 -0.523 9.556 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -25.737 0.174 12.030 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -25.398 -1.211 13.074 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.367 -1.390 6.914 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.698 -0.897 5.544 1.00 0.01 C ATOM 1628 C GLY A 105 -26.652 -2.073 4.568 1.00 0.01 C ATOM 1629 O GLY A 105 -26.675 -3.219 4.972 1.00 0.01 O ATOM 0 H GLY A 105 -27.164 -1.709 7.465 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.688 -0.440 5.537 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -25.989 -0.127 5.239 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.575 -1.813 3.292 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.514 -2.933 2.315 1.00 0.01 C ATOM 1635 C GLN A 106 -25.110 -3.541 2.333 1.00 0.01 C ATOM 1636 O GLN A 106 -24.113 -2.850 2.455 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.823 -2.398 0.914 1.00 0.01 C ATOM 1638 CG GLN A 106 -26.942 -3.567 -0.063 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.509 -3.063 -1.393 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.258 -3.854 -2.112 1.00 0.01 O flip ATOM 1641 NE2 GLN A 106 -27.265 -1.937 -1.781 1.00 0.01 N flip ATOM 0 H GLN A 106 -26.552 -0.877 2.886 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.245 -3.696 2.582 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.751 -1.826 0.928 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.034 -1.719 0.590 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -25.965 -4.024 -0.221 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -27.591 -4.338 0.353 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -26.680 -1.319 -1.219 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -27.646 -1.610 -2.669 1.00 0.01 H new ATOM 1650 N MET A 107 -25.040 -4.845 2.215 1.00 0.01 N ATOM 1651 CA MET A 107 -23.723 -5.556 2.225 1.00 0.01 C ATOM 1652 C MET A 107 -23.499 -6.232 0.873 1.00 0.01 C ATOM 1653 O MET A 107 -24.412 -6.752 0.262 1.00 0.01 O ATOM 1654 CB MET A 107 -23.733 -6.627 3.327 1.00 0.00 C ATOM 1655 CG MET A 107 -22.482 -7.511 3.227 1.00 0.01 C ATOM 1656 SD MET A 107 -22.770 -8.841 2.033 1.00 0.01 S ATOM 1657 CE MET A 107 -23.522 -10.020 3.181 1.00 0.01 C ATOM 0 H MET A 107 -25.851 -5.455 2.111 1.00 0.01 H new ATOM 0 HA MET A 107 -22.924 -4.839 2.413 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.771 -6.150 4.306 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.628 -7.242 3.237 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.625 -6.912 2.919 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.243 -7.931 4.204 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.784 -10.933 2.646 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.814 -10.256 3.976 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.422 -9.583 3.614 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.273 -6.243 0.415 1.00 0.01 N ATOM 1668 CA TYR A 108 -21.935 -6.897 -0.886 1.00 0.00 C ATOM 1669 C TYR A 108 -20.699 -7.779 -0.674 1.00 0.01 C ATOM 1670 O TYR A 108 -19.752 -7.398 -0.014 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.627 -5.827 -1.937 1.00 0.54 C ATOM 1672 CG TYR A 108 -22.919 -5.211 -2.426 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.677 -5.858 -3.411 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.358 -3.992 -1.896 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -24.871 -5.286 -3.864 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.552 -3.421 -2.349 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.309 -4.067 -3.333 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.485 -3.502 -3.780 1.00 2.48 O ATOM 0 H TYR A 108 -21.479 -5.820 0.895 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.774 -7.500 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -20.984 -5.057 -1.510 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.084 -6.269 -2.772 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.340 -6.799 -3.821 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.775 -3.492 -1.137 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.455 -5.785 -4.623 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.890 -2.481 -1.939 1.00 1.51 H new ATOM 0 HH TYR A 108 -27.238 -4.084 -3.545 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.725 -8.972 -1.213 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.585 -9.932 -1.042 1.00 0.01 C ATOM 1690 C GLU A 109 -18.957 -10.228 -2.402 1.00 0.01 C ATOM 1691 O GLU A 109 -19.649 -10.475 -3.371 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.146 -11.222 -0.433 1.00 0.01 C ATOM 1693 CG GLU A 109 -18.998 -12.176 -0.080 1.00 0.01 C ATOM 1694 CD GLU A 109 -18.482 -12.856 -1.350 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -19.204 -13.674 -1.897 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -17.373 -12.547 -1.756 1.00 0.00 O ATOM 0 H GLU A 109 -21.499 -9.329 -1.773 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.820 -9.508 -0.392 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.725 -10.990 0.461 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.825 -11.702 -1.138 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.191 -11.626 0.403 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -19.342 -12.927 0.632 1.00 0.01 H new ATOM 1703 N THR A 110 -17.646 -10.201 -2.493 1.00 0.01 N ATOM 1704 CA THR A 110 -16.997 -10.477 -3.811 1.00 0.00 C ATOM 1705 C THR A 110 -15.627 -11.144 -3.629 1.00 0.01 C ATOM 1706 O THR A 110 -14.907 -10.912 -2.665 1.00 0.01 O ATOM 1707 CB THR A 110 -16.812 -9.167 -4.581 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.252 -9.447 -5.855 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.876 -8.242 -3.802 1.00 1.69 C ATOM 0 H THR A 110 -17.008 -10.003 -1.722 1.00 0.01 H new ATOM 0 HA THR A 110 -17.645 -11.154 -4.367 1.00 0.00 H new ATOM 0 HB THR A 110 -17.778 -8.678 -4.706 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.134 -8.610 -6.351 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.745 -7.310 -4.352 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.306 -8.029 -2.823 1.00 1.69 H new ATOM 0 HG23 THR A 110 -14.908 -8.727 -3.675 1.00 1.69 H new ATOM 1717 N THR A 111 -15.280 -11.976 -4.581 1.00 0.00 N ATOM 1718 CA THR A 111 -13.975 -12.706 -4.558 1.00 0.01 C ATOM 1719 C THR A 111 -13.097 -12.251 -5.731 1.00 0.01 C ATOM 1720 O THR A 111 -12.069 -12.838 -6.005 1.00 0.01 O ATOM 1721 CB THR A 111 -14.236 -14.209 -4.679 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.149 -14.445 -5.740 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.825 -14.736 -3.369 1.00 0.01 C ATOM 0 H THR A 111 -15.862 -12.184 -5.392 1.00 0.00 H new ATOM 0 HA THR A 111 -13.461 -12.491 -3.621 1.00 0.01 H new ATOM 0 HB THR A 111 -13.298 -14.725 -4.884 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.316 -15.407 -5.820 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.010 -15.807 -3.458 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.122 -14.555 -2.556 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.763 -14.222 -3.159 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.518 -11.232 -6.451 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.737 -10.759 -7.648 1.00 0.01 C ATOM 1733 C GLU A 112 -12.342 -9.288 -7.506 1.00 0.01 C ATOM 1734 O GLU A 112 -12.901 -8.556 -6.713 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.602 -10.922 -8.900 1.00 0.85 C ATOM 1736 CG GLU A 112 -13.960 -12.398 -9.084 1.00 1.61 C ATOM 1737 CD GLU A 112 -12.717 -13.176 -9.519 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -11.916 -12.615 -10.250 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -12.588 -14.320 -9.117 1.00 3.07 O ATOM 0 H GLU A 112 -14.371 -10.706 -6.261 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.827 -11.355 -7.725 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.510 -10.325 -8.808 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.066 -10.555 -9.775 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -14.350 -12.807 -8.152 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.747 -12.502 -9.831 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.392 -8.845 -8.291 1.00 0.01 N ATOM 1747 CA ASP A 113 -10.961 -7.417 -8.236 1.00 0.01 C ATOM 1748 C ASP A 113 -12.077 -6.525 -8.798 1.00 0.00 C ATOM 1749 O ASP A 113 -12.871 -6.950 -9.615 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.702 -7.243 -9.094 1.00 0.01 C ATOM 1751 CG ASP A 113 -9.831 -8.089 -10.362 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -10.951 -8.294 -10.802 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -8.809 -8.516 -10.874 1.00 0.00 O ATOM 0 H ASP A 113 -10.894 -9.417 -8.973 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.752 -7.136 -7.204 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.569 -6.193 -9.356 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -8.819 -7.545 -8.530 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.116 -5.278 -8.384 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.147 -4.324 -8.908 1.00 0.01 C ATOM 1760 C CYS A 114 -12.440 -3.049 -9.421 1.00 0.01 C ATOM 1761 O CYS A 114 -11.855 -2.331 -8.629 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.096 -3.944 -7.773 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.234 -5.316 -7.465 1.00 0.01 S ATOM 0 H CYS A 114 -11.473 -4.879 -7.701 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.706 -4.791 -9.719 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -13.529 -3.716 -6.870 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -14.654 -3.045 -8.035 1.00 0.01 H new ATOM 0 HG CYS A 114 -15.051 -5.770 -6.261 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.488 -2.731 -10.710 1.00 0.01 N ATOM 1770 CA PRO A 115 -11.825 -1.490 -11.203 1.00 0.01 C ATOM 1771 C PRO A 115 -12.636 -0.240 -10.834 1.00 0.01 C ATOM 1772 O PRO A 115 -12.082 0.820 -10.606 1.00 0.01 O ATOM 1773 CB PRO A 115 -11.793 -1.716 -12.723 1.00 0.01 C ATOM 1774 CG PRO A 115 -12.834 -2.800 -13.055 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.172 -3.555 -11.755 1.00 0.01 C ATOM 0 HA PRO A 115 -10.839 -1.319 -10.770 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.021 -0.791 -13.252 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -10.799 -2.029 -13.043 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.732 -2.349 -13.477 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.441 -3.488 -13.803 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.248 -3.611 -11.587 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -12.798 -4.579 -11.772 1.00 0.01 H new ATOM 1783 N SER A 116 -13.942 -0.353 -10.785 1.00 0.01 N ATOM 1784 CA SER A 116 -14.794 0.824 -10.437 1.00 0.02 C ATOM 1785 C SER A 116 -15.960 0.351 -9.561 1.00 0.01 C ATOM 1786 O SER A 116 -16.874 -0.318 -10.013 1.00 0.00 O ATOM 1787 CB SER A 116 -15.332 1.456 -11.722 1.00 0.01 C ATOM 1788 OG SER A 116 -16.451 2.277 -11.409 1.00 0.01 O ATOM 0 H SER A 116 -14.455 -1.215 -10.972 1.00 0.01 H new ATOM 0 HA SER A 116 -14.207 1.564 -9.894 1.00 0.02 H new ATOM 0 HB2 SER A 116 -14.554 2.049 -12.203 1.00 0.01 H new ATOM 0 HB3 SER A 116 -15.623 0.679 -12.429 1.00 0.01 H new ATOM 0 HG SER A 116 -16.334 3.160 -11.818 1.00 0.01 H new ATOM 1794 N ILE A 117 -15.903 0.676 -8.298 1.00 0.01 N ATOM 1795 CA ILE A 117 -16.960 0.238 -7.343 1.00 0.01 C ATOM 1796 C ILE A 117 -18.307 0.869 -7.689 1.00 0.01 C ATOM 1797 O ILE A 117 -19.335 0.235 -7.568 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.544 0.652 -5.931 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.226 -0.044 -5.577 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.625 0.241 -4.926 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.592 0.628 -4.358 1.00 1.83 C ATOM 0 H ILE A 117 -15.158 1.235 -7.882 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.070 -0.845 -7.405 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.416 1.734 -5.891 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.406 -1.099 -5.369 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.542 0.001 -6.425 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.321 0.539 -3.923 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.565 0.731 -5.181 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -17.759 -0.840 -4.958 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.655 0.127 -4.113 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.395 1.676 -4.582 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.273 0.560 -3.510 1.00 1.83 H new ATOM 1813 N MET A 118 -18.322 2.112 -8.089 1.00 0.02 N ATOM 1814 CA MET A 118 -19.626 2.757 -8.402 1.00 0.01 C ATOM 1815 C MET A 118 -20.239 2.109 -9.641 1.00 0.01 C ATOM 1816 O MET A 118 -21.434 1.930 -9.724 1.00 0.02 O ATOM 1817 CB MET A 118 -19.436 4.256 -8.638 1.00 0.24 C ATOM 1818 CG MET A 118 -20.801 4.944 -8.668 1.00 0.63 C ATOM 1819 SD MET A 118 -20.580 6.707 -9.010 1.00 1.20 S ATOM 1820 CE MET A 118 -20.676 6.601 -10.814 1.00 1.34 C ATOM 0 H MET A 118 -17.498 2.701 -8.211 1.00 0.02 H new ATOM 0 HA MET A 118 -20.298 2.620 -7.555 1.00 0.01 H new ATOM 0 HB2 MET A 118 -18.818 4.684 -7.848 1.00 0.24 H new ATOM 0 HB3 MET A 118 -18.912 4.423 -9.579 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.432 4.491 -9.432 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.310 4.809 -7.713 1.00 0.63 H new ATOM 0 HE1 MET A 118 -20.562 7.596 -11.244 1.00 1.34 H new ATOM 0 HE2 MET A 118 -19.881 5.953 -11.183 1.00 1.34 H new ATOM 0 HE3 MET A 118 -21.643 6.190 -11.103 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.449 1.752 -10.607 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.028 1.123 -11.823 1.00 0.02 C ATOM 1832 C GLU A 119 -20.547 -0.277 -11.483 1.00 0.02 C ATOM 1833 O GLU A 119 -21.551 -0.720 -12.001 1.00 0.01 O ATOM 1834 CB GLU A 119 -18.949 1.018 -12.904 1.00 0.30 C ATOM 1835 CG GLU A 119 -18.616 2.416 -13.429 1.00 0.99 C ATOM 1836 CD GLU A 119 -19.784 2.939 -14.267 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -20.179 2.249 -15.192 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -20.265 4.020 -13.969 1.00 2.11 O ATOM 0 H GLU A 119 -18.435 1.866 -10.610 1.00 0.01 H new ATOM 0 HA GLU A 119 -20.853 1.734 -12.188 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.054 0.549 -12.495 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -19.297 0.385 -13.720 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -18.421 3.092 -12.596 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -17.708 2.383 -14.032 1.00 0.99 H new ATOM 1845 N GLN A 120 -19.836 -0.995 -10.655 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.255 -2.393 -10.331 1.00 0.01 C ATOM 1847 C GLN A 120 -21.387 -2.437 -9.295 1.00 0.01 C ATOM 1848 O GLN A 120 -22.328 -3.193 -9.439 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.046 -3.161 -9.786 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.352 -4.663 -9.770 1.00 1.07 C ATOM 1851 CD GLN A 120 -19.264 -5.222 -11.193 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -18.998 -4.416 -12.184 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 -19.440 -6.406 -11.404 1.00 2.08 N flip ATOM 0 H GLN A 120 -18.986 -0.677 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.629 -2.850 -11.248 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.170 -2.965 -10.404 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.809 -2.818 -8.779 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -18.646 -5.181 -9.121 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.347 -4.837 -9.361 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.648 -7.037 -10.630 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -19.380 -6.769 -12.355 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.269 -1.689 -8.223 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.306 -1.752 -7.135 1.00 0.01 C ATOM 1864 C PHE A 121 -23.142 -0.474 -7.039 1.00 0.01 C ATOM 1865 O PHE A 121 -24.010 -0.365 -6.197 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.601 -1.986 -5.800 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.776 -3.248 -5.879 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.354 -4.483 -5.559 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.435 -3.185 -6.273 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.590 -5.654 -5.632 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.671 -4.357 -6.346 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.249 -5.590 -6.025 1.00 0.01 C ATOM 0 H PHE A 121 -20.503 -1.038 -8.052 1.00 0.02 H new ATOM 0 HA PHE A 121 -22.987 -2.568 -7.375 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -20.962 -1.136 -5.560 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.335 -2.069 -4.999 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.389 -4.532 -5.256 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -18.989 -2.233 -6.521 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.036 -6.606 -5.385 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.636 -4.309 -6.650 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.659 -6.493 -6.081 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.898 0.497 -7.871 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.695 1.753 -7.790 1.00 0.01 C ATOM 1884 C HIS A 122 -23.512 2.383 -6.406 1.00 0.01 C ATOM 1885 O HIS A 122 -24.411 3.002 -5.870 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.174 1.432 -8.040 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.286 0.390 -9.121 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.111 0.695 -10.462 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.554 -0.956 -9.074 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.277 -0.443 -11.161 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.549 -1.480 -10.363 1.00 0.01 N ATOM 0 H HIS A 122 -22.185 0.477 -8.601 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.354 2.460 -8.546 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.639 1.071 -7.123 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.709 2.335 -8.334 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.740 -1.522 -8.173 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.200 -0.510 -12.236 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.717 -2.447 -10.639 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.343 2.227 -5.826 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.072 2.811 -4.467 1.00 0.01 C ATOM 1901 C LEU A 123 -21.045 3.936 -4.614 1.00 0.02 C ATOM 1902 O LEU A 123 -20.054 3.802 -5.303 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.498 1.713 -3.547 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.637 0.926 -2.865 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.116 -0.432 -2.380 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.165 1.698 -1.646 1.00 0.01 C ATOM 0 H LEU A 123 -21.560 1.718 -6.236 1.00 0.01 H new ATOM 0 HA LEU A 123 -22.994 3.201 -4.036 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -20.876 1.033 -4.128 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.856 2.164 -2.790 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.437 0.788 -3.593 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -22.925 -0.982 -1.900 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.744 -1.004 -3.230 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.308 -0.277 -1.665 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.968 1.130 -1.176 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.356 1.844 -0.930 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.546 2.668 -1.966 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.278 5.053 -3.971 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.324 6.196 -4.075 1.00 0.00 C ATOM 1920 C ARG A 124 -19.296 6.139 -2.940 1.00 0.01 C ATOM 1921 O ARG A 124 -18.218 6.692 -3.037 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.096 7.512 -3.985 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.301 7.464 -4.927 1.00 1.98 C ATOM 1924 CD ARG A 124 -23.061 8.790 -4.850 1.00 2.92 C ATOM 1925 NE ARG A 124 -24.266 8.724 -5.722 1.00 3.54 N ATOM 1926 CZ ARG A 124 -25.214 9.610 -5.592 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -25.106 10.554 -4.695 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -26.270 9.553 -6.355 1.00 5.32 N ATOM 0 H ARG A 124 -22.090 5.221 -3.377 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.803 6.132 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.428 7.681 -2.961 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.446 8.346 -4.251 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.970 7.281 -5.949 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.958 6.639 -4.652 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.355 8.993 -3.820 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -22.416 9.610 -5.165 1.00 2.92 H new ATOM 0 HE ARG A 124 -24.350 7.986 -6.421 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.281 10.597 -4.097 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -25.847 11.247 -4.593 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -26.355 8.815 -7.054 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -27.011 10.246 -6.253 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.631 5.492 -1.849 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.690 5.418 -0.689 1.00 0.01 C ATOM 1944 C GLU A 125 -18.889 4.098 0.065 1.00 0.01 C ATOM 1945 O GLU A 125 -19.906 3.445 -0.064 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.983 6.572 0.270 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.606 7.898 -0.394 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.646 9.020 0.645 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.256 8.819 1.682 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -18.065 10.061 0.386 1.00 0.02 O ATOM 0 H GLU A 125 -20.520 5.010 -1.713 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.666 5.479 -1.059 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.039 6.576 0.539 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.419 6.443 1.194 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.610 7.828 -0.830 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.296 8.118 -1.209 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.935 3.724 0.880 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.053 2.470 1.694 1.00 0.01 C ATOM 1959 C ILE A 126 -17.673 2.827 3.135 1.00 0.01 C ATOM 1960 O ILE A 126 -16.669 3.474 3.363 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.091 1.409 1.146 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.669 0.845 -0.154 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.924 0.272 2.162 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.625 -0.030 -0.840 1.00 1.70 C ATOM 0 H ILE A 126 -17.066 4.240 1.019 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.066 2.069 1.651 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.117 1.863 0.961 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.565 0.262 0.057 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.967 1.659 -0.815 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.239 -0.476 1.762 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.522 0.672 3.093 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.893 -0.190 2.354 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.038 -0.431 -1.766 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.741 0.567 -1.065 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.349 -0.852 -0.180 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.488 2.472 4.106 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.177 2.875 5.522 1.00 0.01 C ATOM 1978 C HIS A 127 -17.663 1.708 6.367 1.00 0.01 C ATOM 1979 O HIS A 127 -17.127 1.913 7.439 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.429 3.475 6.175 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.676 4.859 5.634 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.407 5.198 4.316 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -20.165 5.998 6.223 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.734 6.493 4.157 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.200 7.029 5.288 1.00 0.02 N ATOM 0 H HIS A 127 -19.343 1.929 3.984 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.380 3.617 5.479 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.292 2.839 5.979 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.302 3.515 7.257 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.475 6.082 7.254 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.632 7.034 3.228 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.514 7.988 5.435 1.00 0.02 H new ATOM 1993 N SER A 128 -17.772 0.496 5.903 1.00 0.01 N ATOM 1994 CA SER A 128 -17.232 -0.644 6.705 1.00 0.01 C ATOM 1995 C SER A 128 -16.912 -1.788 5.749 1.00 0.01 C ATOM 1996 O SER A 128 -17.496 -1.901 4.692 1.00 0.01 O ATOM 1997 CB SER A 128 -18.278 -1.083 7.740 1.00 0.01 C ATOM 1998 OG SER A 128 -17.950 -0.516 8.998 1.00 0.01 O ATOM 0 H SER A 128 -18.205 0.243 5.015 1.00 0.01 H new ATOM 0 HA SER A 128 -16.328 -0.347 7.237 1.00 0.01 H new ATOM 0 HB2 SER A 128 -19.272 -0.761 7.430 1.00 0.01 H new ATOM 0 HB3 SER A 128 -18.303 -2.170 7.812 1.00 0.01 H new ATOM 0 HG SER A 128 -17.635 0.403 8.870 1.00 0.01 H new ATOM 2004 N CYS A 129 -15.984 -2.639 6.085 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.651 -3.750 5.152 1.00 0.01 C ATOM 2006 C CYS A 129 -14.930 -4.858 5.907 1.00 0.00 C ATOM 2007 O CYS A 129 -14.165 -4.612 6.820 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.761 -3.226 4.024 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.097 -4.620 3.078 1.00 1.22 S ATOM 0 H CYS A 129 -15.448 -2.615 6.953 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.571 -4.150 4.726 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.334 -2.569 3.370 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -13.946 -2.632 4.436 1.00 0.69 H new ATOM 0 HG CYS A 129 -14.986 -5.566 3.018 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.180 -6.089 5.538 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.531 -7.237 6.239 1.00 0.01 C ATOM 2017 C LYS A 130 -13.741 -8.072 5.227 1.00 0.01 C ATOM 2018 O LYS A 130 -14.284 -8.714 4.353 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.634 -8.099 6.911 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.378 -8.231 8.420 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.479 -9.087 9.052 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.275 -9.149 10.567 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.516 -9.655 11.216 1.00 1.41 N ATOM 0 H LYS A 130 -15.809 -6.349 4.778 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.843 -6.874 7.002 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.610 -7.645 6.741 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.658 -9.088 6.454 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.403 -8.686 8.596 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.358 -7.245 8.884 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.458 -8.665 8.824 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -16.459 -10.092 8.631 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -15.435 -9.802 10.805 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -16.028 -8.160 10.952 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -17.377 -9.697 12.246 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -18.307 -9.015 10.999 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -17.732 -10.607 10.857 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.453 -8.068 5.373 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.565 -8.865 4.487 1.00 0.01 C ATOM 2039 C VAL A 131 -11.038 -9.989 5.347 1.00 0.01 C ATOM 2040 O VAL A 131 -10.333 -9.740 6.312 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.399 -7.998 4.005 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.533 -8.796 3.032 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -10.942 -6.755 3.298 1.00 0.01 C ATOM 0 H VAL A 131 -11.963 -7.531 6.089 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.095 -9.235 3.609 1.00 0.01 H new ATOM 0 HB VAL A 131 -9.798 -7.696 4.863 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -8.704 -8.176 2.691 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.142 -9.681 3.534 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.134 -9.101 2.176 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.111 -6.139 2.956 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.546 -7.058 2.443 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.557 -6.181 3.991 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.290 -11.235 4.987 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.692 -12.343 5.796 1.00 0.01 C ATOM 2055 C VAL A 132 -10.360 -13.493 4.862 1.00 0.00 C ATOM 2056 O VAL A 132 -10.953 -14.550 4.937 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.703 -12.811 6.845 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.019 -13.766 7.825 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.245 -11.601 7.609 1.00 1.98 C ATOM 0 H VAL A 132 -11.865 -11.520 4.194 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.790 -11.997 6.300 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.525 -13.326 6.349 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.740 -14.099 8.572 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.634 -14.629 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.195 -13.251 8.320 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.965 -11.935 8.356 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.422 -11.085 8.104 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.734 -10.920 6.912 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.413 -13.311 4.002 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.016 -14.399 3.071 1.00 0.01 C ATOM 2071 C GLU A 133 -8.027 -13.786 2.080 1.00 0.01 C ATOM 2072 O GLU A 133 -8.420 -13.002 1.234 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.270 -14.978 2.351 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.521 -16.436 2.781 1.00 0.00 C ATOM 2075 CD GLU A 133 -11.943 -16.848 2.392 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -12.123 -17.290 1.270 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -12.826 -16.714 3.223 1.00 0.00 O ATOM 0 H GLU A 133 -8.886 -12.444 3.899 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.551 -15.231 3.600 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.143 -14.369 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.129 -14.931 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -9.797 -17.096 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.384 -16.537 3.858 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.768 -14.121 2.173 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.767 -13.542 1.227 1.00 0.01 C ATOM 2086 C GLY A 134 -5.518 -12.066 1.565 1.00 0.01 C ATOM 2087 O GLY A 134 -5.994 -11.560 2.563 1.00 0.01 O ATOM 0 H GLY A 134 -6.388 -14.770 2.862 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.833 -14.100 1.287 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.128 -13.633 0.202 1.00 0.01 H new ATOM 2091 N THR A 135 -4.775 -11.373 0.732 1.00 0.01 N ATOM 2092 CA THR A 135 -4.477 -9.920 0.980 1.00 0.01 C ATOM 2093 C THR A 135 -5.207 -9.077 -0.075 1.00 0.01 C ATOM 2094 O THR A 135 -5.344 -9.481 -1.213 1.00 0.01 O ATOM 2095 CB THR A 135 -2.959 -9.690 0.869 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.430 -10.545 -0.132 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.281 -9.998 2.207 1.00 2.30 C ATOM 0 H THR A 135 -4.358 -11.754 -0.117 1.00 0.01 H new ATOM 0 HA THR A 135 -4.814 -9.632 1.976 1.00 0.01 H new ATOM 0 HB THR A 135 -2.773 -8.649 0.606 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.469 -10.379 -0.230 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.207 -9.832 2.118 1.00 2.30 H new ATOM 0 HG22 THR A 135 -2.686 -9.344 2.979 1.00 2.30 H new ATOM 0 HG23 THR A 135 -2.466 -11.037 2.478 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.688 -7.914 0.302 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.432 -7.036 -0.666 1.00 0.01 C ATOM 2107 C TRP A 136 -5.897 -5.599 -0.614 1.00 0.01 C ATOM 2108 O TRP A 136 -5.498 -5.115 0.419 1.00 0.00 O ATOM 2109 CB TRP A 136 -7.921 -7.025 -0.298 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.564 -8.309 -0.719 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.559 -9.453 0.001 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.310 -8.594 -1.938 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.259 -10.422 -0.696 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.739 -9.941 -1.899 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.652 -7.824 -3.062 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.480 -10.502 -2.938 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.398 -8.387 -4.111 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -10.811 -9.723 -4.048 1.00 0.01 C ATOM 0 H TRP A 136 -5.598 -7.532 1.243 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.292 -7.431 -1.672 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.037 -6.886 0.777 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.417 -6.184 -0.783 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.086 -9.589 0.963 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.403 -11.375 -0.362 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.339 -6.792 -3.120 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.796 -11.533 -2.884 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.654 -7.786 -4.971 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.385 -10.150 -4.857 1.00 0.01 H new ATOM 2129 N ILE A 137 -5.912 -4.906 -1.729 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.447 -3.477 -1.761 1.00 0.00 C ATOM 2131 C ILE A 137 -6.627 -2.606 -2.206 1.00 0.01 C ATOM 2132 O ILE A 137 -7.358 -2.964 -3.104 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.313 -3.311 -2.781 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.175 -4.282 -2.456 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.785 -1.872 -2.724 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.060 -4.124 -3.495 1.00 1.69 C ATOM 0 H ILE A 137 -6.229 -5.271 -2.627 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.087 -3.187 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.694 -3.525 -3.780 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -2.787 -4.084 -1.457 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.545 -5.307 -2.457 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -2.979 -1.751 -3.448 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.592 -1.179 -2.961 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.408 -1.662 -1.723 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.248 -4.815 -3.266 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.454 -4.344 -4.487 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.684 -3.101 -3.472 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.785 -1.444 -1.605 1.00 0.01 N ATOM 2149 CA PHE A 138 -7.889 -0.500 -2.010 1.00 0.01 C ATOM 2150 C PHE A 138 -7.229 0.736 -2.639 1.00 0.01 C ATOM 2151 O PHE A 138 -6.207 1.190 -2.172 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.758 -0.143 -0.760 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.657 1.322 -0.331 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -9.034 2.355 -1.203 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.202 1.640 0.956 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.948 3.690 -0.791 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.118 2.976 1.365 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.489 4.000 0.491 1.00 2.49 C ATOM 0 H PHE A 138 -6.193 -1.106 -0.846 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.561 -0.951 -2.740 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.800 -0.377 -0.976 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.455 -0.777 0.073 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.391 2.119 -2.195 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -7.915 0.851 1.635 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -9.237 4.482 -1.466 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.766 3.215 2.358 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.421 5.031 0.806 1.00 2.49 H new ATOM 2168 N TYR A 139 -7.816 1.289 -3.679 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.238 2.509 -4.334 1.00 0.01 C ATOM 2170 C TYR A 139 -8.283 3.635 -4.320 1.00 0.01 C ATOM 2171 O TYR A 139 -9.481 3.392 -4.383 1.00 0.01 O ATOM 2172 CB TYR A 139 -6.854 2.187 -5.780 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.107 0.875 -5.825 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.815 -0.331 -5.837 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.708 0.863 -5.858 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.128 -1.549 -5.881 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.016 -0.354 -5.901 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.727 -1.561 -5.912 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.048 -2.761 -5.957 1.00 0.00 O ATOM 0 H TYR A 139 -8.677 0.944 -4.104 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.349 2.826 -3.789 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.748 2.129 -6.400 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.234 2.985 -6.189 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.895 -0.322 -5.812 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.161 1.794 -5.850 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.677 -2.479 -5.891 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -2.936 -0.362 -5.926 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.083 -2.590 -5.975 1.00 0.00 H new ATOM 2189 N GLU A 140 -7.838 4.858 -4.168 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.784 6.011 -4.064 1.00 0.02 C ATOM 2191 C GLU A 140 -9.405 6.377 -5.417 1.00 0.01 C ATOM 2192 O GLU A 140 -10.516 6.865 -5.456 1.00 0.01 O ATOM 2193 CB GLU A 140 -7.996 7.212 -3.538 1.00 0.01 C ATOM 2194 CG GLU A 140 -8.967 8.335 -3.173 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.205 9.464 -2.475 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.270 9.974 -3.067 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.572 9.798 -1.360 1.00 0.02 O ATOM 0 H GLU A 140 -6.851 5.108 -4.111 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.600 5.734 -3.396 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.412 6.923 -2.664 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.290 7.557 -4.294 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.456 8.713 -4.071 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.751 7.953 -2.519 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.723 6.172 -6.525 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.322 6.544 -7.856 1.00 0.02 C ATOM 2206 C LEU A 141 -9.543 5.263 -8.687 1.00 0.01 C ATOM 2207 O LEU A 141 -8.850 4.278 -8.501 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.336 7.474 -8.592 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.518 8.933 -8.120 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.236 9.728 -8.391 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.679 9.601 -8.872 1.00 1.24 C ATOM 0 H LEU A 141 -7.787 5.768 -6.567 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.277 7.051 -7.715 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.312 7.150 -8.406 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.500 7.410 -9.668 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.736 8.923 -7.052 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.368 10.757 -8.057 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.405 9.275 -7.850 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.021 9.719 -9.460 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -9.793 10.629 -8.527 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.469 9.599 -9.942 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.600 9.050 -8.682 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.494 5.271 -9.608 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.764 4.066 -10.443 1.00 0.01 C ATOM 2225 C PRO A 142 -9.511 3.560 -11.162 1.00 0.01 C ATOM 2226 O PRO A 142 -8.503 4.232 -11.264 1.00 0.01 O ATOM 2227 CB PRO A 142 -11.826 4.575 -11.447 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.044 6.081 -11.204 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.356 6.458 -9.881 1.00 0.01 C ATOM 0 HA PRO A 142 -11.096 3.212 -9.852 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.494 4.400 -12.471 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.762 4.031 -11.318 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.630 6.663 -12.027 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.109 6.308 -11.157 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -10.769 7.371 -9.976 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.079 6.626 -9.082 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.610 2.368 -11.677 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.482 1.754 -12.429 1.00 0.01 C ATOM 2239 C ASN A 143 -7.234 1.626 -11.551 1.00 0.01 C ATOM 2240 O ASN A 143 -6.117 1.660 -12.026 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.154 2.628 -13.643 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.453 3.058 -14.327 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.495 2.473 -14.101 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -9.435 4.063 -15.157 1.00 0.56 N ATOM 0 H ASN A 143 -10.442 1.782 -11.607 1.00 0.01 H new ATOM 0 HA ASN A 143 -8.783 0.756 -12.746 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.587 3.505 -13.331 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.527 2.076 -14.343 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -10.295 4.359 -15.618 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -8.561 4.553 -15.346 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.425 1.437 -10.273 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.272 1.257 -9.345 1.00 0.02 C ATOM 2253 C TYR A 144 -5.329 2.467 -9.393 1.00 0.01 C ATOM 2254 O TYR A 144 -4.136 2.321 -9.575 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.508 -0.021 -9.737 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.483 -1.026 -10.316 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.585 -1.441 -9.560 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.291 -1.533 -11.609 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.495 -2.362 -10.093 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.202 -2.454 -12.142 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.303 -2.869 -11.384 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.200 -3.776 -11.910 1.00 0.01 O ATOM 0 H TYR A 144 -8.342 1.399 -9.828 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.650 1.168 -8.327 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.733 0.214 -10.467 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.008 -0.442 -8.865 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.734 -1.050 -8.564 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.441 -1.214 -12.194 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.345 -2.681 -9.508 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.055 -2.844 -13.138 1.00 0.01 H new ATOM 0 HH TYR A 144 -8.920 -4.026 -12.815 1.00 0.01 H new ATOM 2272 N ARG A 145 -5.860 3.655 -9.227 1.00 0.02 N ATOM 2273 CA ARG A 145 -4.998 4.888 -9.255 1.00 0.01 C ATOM 2274 C ARG A 145 -5.199 5.695 -7.969 1.00 0.01 C ATOM 2275 O ARG A 145 -6.150 5.489 -7.242 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.398 5.759 -10.449 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.126 5.005 -11.753 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.468 5.905 -12.943 1.00 0.01 C ATOM 2279 NE ARG A 145 -6.919 6.243 -12.913 1.00 0.01 N ATOM 2280 CZ ARG A 145 -7.374 7.232 -13.633 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -6.558 7.930 -14.375 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -8.645 7.524 -13.609 1.00 0.01 N ATOM 0 H ARG A 145 -6.853 3.828 -9.073 1.00 0.02 H new ATOM 0 HA ARG A 145 -3.953 4.589 -9.340 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.454 6.021 -10.383 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -4.837 6.693 -10.434 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.080 4.704 -11.800 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.722 4.093 -11.790 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -4.871 6.816 -12.906 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.221 5.400 -13.877 1.00 0.01 H new ATOM 0 HE ARG A 145 -7.557 5.701 -12.330 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -5.564 7.703 -14.393 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -6.915 8.703 -14.937 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -9.282 6.980 -13.028 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -9.001 8.297 -14.171 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.302 6.606 -7.669 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.435 7.421 -6.423 1.00 0.02 C ATOM 2298 C GLY A 146 -3.732 6.720 -5.256 1.00 0.01 C ATOM 2299 O GLY A 146 -2.955 5.804 -5.440 1.00 0.02 O ATOM 0 H GLY A 146 -3.482 6.819 -8.237 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.002 8.409 -6.578 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.489 7.569 -6.187 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.004 7.156 -4.056 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.359 6.534 -2.862 1.00 0.01 C ATOM 2305 C ARG A 147 -3.883 5.110 -2.701 1.00 0.01 C ATOM 2306 O ARG A 147 -5.039 4.818 -2.950 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.710 7.358 -1.621 1.00 0.01 C ATOM 2308 CG ARG A 147 -2.895 6.858 -0.427 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.184 7.736 0.791 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.645 7.086 2.018 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.507 7.779 3.115 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -2.842 9.041 3.135 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -2.035 7.213 4.192 1.00 0.02 N ATOM 0 H ARG A 147 -4.648 7.920 -3.849 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.277 6.510 -2.988 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.501 8.413 -1.801 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.776 7.276 -1.407 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.148 5.820 -0.209 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.831 6.884 -0.663 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.730 8.718 0.659 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -4.258 7.892 0.892 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.384 6.100 2.001 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.211 9.484 2.294 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -2.735 9.584 3.992 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -1.773 6.227 4.177 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -1.928 7.756 5.049 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.005 4.210 -2.314 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.380 2.772 -2.157 1.00 0.01 C ATOM 2329 C GLN A 148 -3.187 2.346 -0.692 1.00 0.01 C ATOM 2330 O GLN A 148 -2.322 2.846 -0.001 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.440 1.940 -3.057 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.047 2.757 -4.299 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.573 1.817 -5.411 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -1.845 2.047 -6.573 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -0.871 0.761 -5.100 1.00 0.01 N ATOM 0 H GLN A 148 -2.030 4.419 -2.098 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.422 2.617 -2.437 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.547 1.655 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -2.935 1.017 -3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -2.899 3.343 -4.644 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.256 3.463 -4.046 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -0.643 0.569 -4.124 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.550 0.128 -5.833 1.00 0.01 H new ATOM 2344 N TYR A 149 -3.986 1.419 -0.228 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.869 0.926 1.187 1.00 0.01 C ATOM 2346 C TYR A 149 -3.765 -0.610 1.179 1.00 0.01 C ATOM 2347 O TYR A 149 -4.414 -1.272 0.392 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.116 1.372 1.985 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.712 2.060 3.275 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.474 3.440 3.285 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.580 1.319 4.455 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -4.106 4.077 4.476 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.211 1.956 5.645 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.973 3.335 5.656 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.611 3.963 6.829 1.00 0.01 O ATOM 0 H TYR A 149 -4.725 0.975 -0.773 1.00 0.01 H new ATOM 0 HA TYR A 149 -2.978 1.342 1.657 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.718 2.049 1.379 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.739 0.506 2.209 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.574 4.012 2.375 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.763 0.255 4.447 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.925 5.142 4.485 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.110 1.383 6.555 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.565 3.304 7.552 1.00 0.01 H new ATOM 2365 N LEU A 150 -2.952 -1.175 2.036 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.799 -2.665 2.068 1.00 0.01 C ATOM 2367 C LEU A 150 -3.734 -3.248 3.138 1.00 0.01 C ATOM 2368 O LEU A 150 -3.642 -2.913 4.303 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.338 -2.985 2.421 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.011 -4.466 2.086 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -0.320 -4.558 0.720 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -0.074 -5.053 3.150 1.00 0.01 C ATOM 0 H LEU A 150 -2.386 -0.669 2.717 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.055 -3.099 1.102 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.671 -2.325 1.867 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.164 -2.798 3.481 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.945 -5.027 2.066 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -0.095 -5.601 0.495 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -0.979 -4.155 -0.049 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.606 -3.984 0.741 1.00 0.01 H new ATOM 0 HD21 LEU A 150 0.149 -6.092 2.906 1.00 0.01 H new ATOM 0 HD22 LEU A 150 0.852 -4.479 3.175 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -0.557 -5.006 4.126 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.638 -4.119 2.746 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.593 -4.731 3.726 1.00 0.01 C ATOM 2386 C LEU A 151 -5.181 -6.173 4.041 1.00 0.01 C ATOM 2387 O LEU A 151 -4.904 -6.957 3.154 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.016 -4.752 3.136 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.284 -3.501 2.290 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.672 -3.622 1.648 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.238 -2.255 3.173 1.00 0.01 C ATOM 0 H LEU A 151 -4.755 -4.433 1.783 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.574 -4.132 4.637 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.145 -5.644 2.522 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.746 -4.812 3.943 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.522 -3.415 1.516 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -8.872 -2.737 1.044 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -8.704 -4.508 1.014 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.428 -3.707 2.429 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.429 -1.371 2.565 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.998 -2.332 3.951 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.254 -2.172 3.634 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.200 -6.532 5.298 1.00 0.01 N ATOM 2404 CA ASP A 152 -4.869 -7.932 5.708 1.00 0.01 C ATOM 2405 C ASP A 152 -6.161 -8.579 6.211 1.00 0.00 C ATOM 2406 O ASP A 152 -7.194 -7.941 6.255 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.836 -7.906 6.838 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.416 -9.337 7.180 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.860 -9.993 6.315 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -3.656 -9.751 8.302 1.00 2.27 O ATOM 0 H ASP A 152 -5.434 -5.907 6.069 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.455 -8.493 4.870 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -2.966 -7.323 6.536 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.256 -7.419 7.718 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.130 -9.825 6.595 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.384 -10.461 7.094 1.00 0.01 C ATOM 2417 C LYS A 153 -7.882 -9.669 8.306 1.00 0.01 C ATOM 2418 O LYS A 153 -7.581 -10.002 9.435 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.102 -11.910 7.503 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.497 -12.669 6.319 1.00 0.71 C ATOM 2421 CD LYS A 153 -6.545 -14.174 6.594 1.00 0.72 C ATOM 2422 CE LYS A 153 -5.651 -14.509 7.791 1.00 1.09 C ATOM 2423 NZ LYS A 153 -5.383 -15.974 7.815 1.00 1.84 N ATOM 0 H LYS A 153 -5.304 -10.424 6.586 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.141 -10.458 6.310 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.417 -11.933 8.351 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.024 -12.394 7.825 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.047 -12.438 5.407 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.467 -12.351 6.159 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -7.570 -14.484 6.796 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.213 -14.725 5.714 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -4.713 -13.958 7.724 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -6.135 -14.202 8.718 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -4.776 -16.203 8.628 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -6.282 -16.490 7.899 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.904 -16.254 6.935 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.613 -8.599 8.081 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.099 -7.755 9.225 1.00 0.01 C ATOM 2439 C LYS A 154 -10.577 -7.375 9.070 1.00 0.01 C ATOM 2440 O LYS A 154 -11.151 -7.433 7.998 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.258 -6.477 9.286 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.683 -5.636 10.495 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.598 -4.601 10.809 1.00 0.97 C ATOM 2444 CE LYS A 154 -8.166 -3.525 11.736 1.00 1.44 C ATOM 2445 NZ LYS A 154 -7.052 -2.688 12.267 1.00 2.28 N ATOM 0 H LYS A 154 -8.894 -8.274 7.156 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.998 -8.335 10.142 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.200 -6.729 9.360 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.385 -5.902 8.368 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.628 -5.135 10.288 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.846 -6.280 11.359 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -6.744 -5.087 11.280 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.237 -4.147 9.886 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -8.877 -2.902 11.194 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -8.711 -3.989 12.558 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -7.438 -1.956 12.897 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -6.389 -3.288 12.798 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -6.551 -2.235 11.476 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.184 -6.943 10.153 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.615 -6.500 10.124 1.00 0.01 C ATOM 2461 C GLU A 155 -12.653 -4.992 10.415 1.00 0.01 C ATOM 2462 O GLU A 155 -12.338 -4.560 11.505 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.405 -7.262 11.198 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.519 -7.485 12.427 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.362 -8.055 13.568 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -13.648 -9.240 13.533 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -13.708 -7.296 14.458 1.00 0.01 O ATOM 0 H GLU A 155 -10.740 -6.878 11.069 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.061 -6.703 9.150 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -14.296 -6.699 11.477 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.744 -8.220 10.803 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -11.707 -8.170 12.183 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.061 -6.545 12.734 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.017 -4.183 9.445 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.049 -2.701 9.666 1.00 0.01 C ATOM 2476 C TYR A 156 -14.485 -2.236 9.921 1.00 0.01 C ATOM 2477 O TYR A 156 -15.341 -2.371 9.067 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.488 -2.006 8.422 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.076 -2.481 8.172 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.005 -1.878 8.841 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.840 -3.525 7.270 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.697 -2.319 8.609 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.532 -3.967 7.037 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.461 -3.363 7.705 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.171 -3.800 7.476 1.00 0.01 O ATOM 0 H TYR A 156 -13.293 -4.486 8.511 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.445 -2.447 10.537 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.115 -2.224 7.557 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.500 -0.925 8.560 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.188 -1.072 9.536 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.667 -3.990 6.754 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.870 -1.855 9.126 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.350 -4.774 6.342 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.184 -4.530 6.823 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.768 -1.740 11.104 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.168 -1.321 11.435 1.00 0.01 C ATOM 2497 C ARG A 157 -16.381 0.185 11.236 1.00 0.00 C ATOM 2498 O ARG A 157 -17.485 0.616 10.981 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.451 -1.668 12.897 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.307 -1.154 13.774 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.738 -1.178 15.242 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.597 -0.762 16.104 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.808 -0.417 17.346 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -16.020 -0.437 17.831 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.806 -0.053 18.100 1.00 0.01 N ATOM 0 H ARG A 157 -14.089 -1.608 11.854 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.845 -1.848 10.763 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.394 -1.221 13.212 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.555 -2.747 13.012 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.421 -1.773 13.634 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.037 -0.140 13.480 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.585 -0.509 15.394 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.069 -2.179 15.518 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.650 -0.746 15.724 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.801 -0.722 17.240 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -16.186 -0.168 18.801 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.860 -0.038 17.719 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -13.969 0.217 19.070 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.354 0.995 11.352 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.529 2.477 11.161 1.00 0.01 C ATOM 2521 C LYS A 158 -14.534 2.965 10.093 1.00 0.01 C ATOM 2522 O LYS A 158 -13.466 2.404 9.957 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.240 3.186 12.489 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.440 3.030 13.428 1.00 0.97 C ATOM 2525 CD LYS A 158 -16.176 3.800 14.725 1.00 1.44 C ATOM 2526 CE LYS A 158 -17.425 3.761 15.608 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.832 2.344 15.827 1.00 2.54 N ATOM 0 H LYS A 158 -14.403 0.697 11.570 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.547 2.697 10.841 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.347 2.765 12.951 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -15.039 4.243 12.312 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.343 3.405 12.947 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.610 1.976 13.646 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.330 3.361 15.254 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.910 4.833 14.499 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.224 4.245 16.564 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -18.236 4.315 15.135 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.455 2.286 16.657 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -18.339 1.995 14.989 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -16.986 1.761 15.988 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.842 4.016 9.358 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.882 4.521 8.339 1.00 0.02 C ATOM 2543 C PRO A 159 -12.542 4.884 8.988 1.00 0.01 C ATOM 2544 O PRO A 159 -11.496 4.492 8.513 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.607 5.754 7.764 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.886 5.994 8.594 1.00 0.70 C ATOM 2547 CD PRO A 159 -16.127 4.760 9.482 1.00 0.28 C ATOM 0 HA PRO A 159 -13.630 3.791 7.570 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.958 6.629 7.804 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.859 5.592 6.716 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.777 6.888 9.208 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.739 6.161 7.936 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.337 5.038 10.515 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.973 4.168 9.133 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.553 5.628 10.056 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.264 5.996 10.698 1.00 0.02 C ATOM 2557 C VAL A 160 -10.530 4.721 11.117 1.00 0.02 C ATOM 2558 O VAL A 160 -9.322 4.710 11.242 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.541 6.859 11.930 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -10.219 7.219 12.611 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.257 8.142 11.500 1.00 0.74 C ATOM 0 H VAL A 160 -13.390 5.994 10.509 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.647 6.557 9.996 1.00 0.02 H new ATOM 0 HB VAL A 160 -12.169 6.305 12.628 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.418 7.834 13.489 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.706 6.307 12.916 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.590 7.773 11.914 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.456 8.759 12.376 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.627 8.694 10.803 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.199 7.888 11.014 1.00 0.74 H new ATOM 2571 N ASP A 161 -11.232 3.638 11.317 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.527 2.385 11.705 1.00 0.01 C ATOM 2573 C ASP A 161 -9.653 1.914 10.539 1.00 0.01 C ATOM 2574 O ASP A 161 -8.776 1.087 10.693 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.546 1.297 12.047 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.830 0.118 12.708 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -10.620 0.175 13.909 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -10.501 -0.823 12.002 1.00 0.00 O ATOM 0 H ASP A 161 -12.246 3.567 11.230 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.904 2.579 12.578 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.308 1.695 12.717 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.057 0.966 11.143 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.902 2.443 9.369 1.00 0.01 N ATOM 2584 CA TRP A 162 -9.120 2.059 8.162 1.00 0.01 C ATOM 2585 C TRP A 162 -7.978 3.071 7.975 1.00 0.01 C ATOM 2586 O TRP A 162 -7.257 3.031 6.999 1.00 0.01 O ATOM 2587 CB TRP A 162 -10.067 2.154 6.953 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.649 1.279 5.820 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -8.424 0.735 5.626 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.469 0.850 4.698 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -8.446 0.005 4.452 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -9.690 0.044 3.846 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -11.812 1.086 4.348 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -10.222 -0.510 2.680 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -12.351 0.532 3.178 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -11.556 -0.266 2.346 1.00 0.01 C ATOM 0 H TRP A 162 -10.629 3.138 9.199 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.711 1.054 8.261 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -11.075 1.880 7.265 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -10.109 3.188 6.611 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -7.572 0.852 6.279 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -7.643 -0.501 4.078 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.432 1.699 4.986 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -9.605 -1.124 2.040 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.382 0.721 2.918 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -11.974 -0.693 1.446 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.791 3.962 8.901 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.679 4.943 8.763 1.00 0.01 C ATOM 2609 C GLY A 163 -7.043 5.999 7.721 1.00 0.01 C ATOM 2610 O GLY A 163 -6.224 6.795 7.307 1.00 0.01 O ATOM 0 H GLY A 163 -8.355 4.056 9.745 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.482 5.420 9.723 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.764 4.429 8.468 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.270 5.980 7.269 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.714 6.944 6.220 1.00 0.02 C ATOM 2616 C ALA A 164 -9.464 8.106 6.861 1.00 0.01 C ATOM 2617 O ALA A 164 -10.202 7.944 7.813 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.676 6.224 5.272 1.00 0.01 C ATOM 0 H ALA A 164 -8.990 5.331 7.586 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.841 7.319 5.686 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -10.010 6.915 4.499 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -9.166 5.380 4.808 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.538 5.863 5.833 1.00 0.01 H new ATOM 2624 N ALA A 165 -9.280 9.282 6.330 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.973 10.477 6.877 1.00 0.01 C ATOM 2626 C ALA A 165 -11.378 10.577 6.278 1.00 0.02 C ATOM 2627 O ALA A 165 -12.190 11.362 6.725 1.00 0.01 O ATOM 2628 CB ALA A 165 -9.186 11.740 6.519 1.00 0.59 C ATOM 0 H ALA A 165 -8.672 9.466 5.532 1.00 0.02 H new ATOM 0 HA ALA A 165 -10.041 10.383 7.961 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.698 12.614 6.922 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -8.184 11.678 6.945 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -9.115 11.829 5.435 1.00 0.59 H new ATOM 2634 N SER A 166 -11.695 9.773 5.289 1.00 0.01 N ATOM 2635 CA SER A 166 -13.062 9.805 4.687 1.00 0.01 C ATOM 2636 C SER A 166 -13.417 8.372 4.231 1.00 0.02 C ATOM 2637 O SER A 166 -12.533 7.613 3.886 1.00 0.01 O ATOM 2638 CB SER A 166 -13.067 10.743 3.479 1.00 0.72 C ATOM 2639 OG SER A 166 -11.907 10.504 2.695 1.00 0.87 O ATOM 0 H SER A 166 -11.059 9.093 4.873 1.00 0.01 H new ATOM 0 HA SER A 166 -13.790 10.163 5.415 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.964 10.580 2.881 1.00 0.72 H new ATOM 0 HB3 SER A 166 -13.089 11.781 3.810 1.00 0.72 H new ATOM 0 HG SER A 166 -11.908 11.102 1.919 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.678 7.986 4.210 1.00 0.02 N ATOM 2646 CA PRO A 167 -15.050 6.607 3.759 1.00 0.01 C ATOM 2647 C PRO A 167 -14.975 6.448 2.229 1.00 0.01 C ATOM 2648 O PRO A 167 -15.679 5.644 1.650 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.509 6.513 4.235 1.00 0.38 C ATOM 2650 CG PRO A 167 -17.032 7.948 4.391 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.817 8.861 4.628 1.00 0.22 C ATOM 0 HA PRO A 167 -14.386 5.836 4.149 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.113 5.960 3.516 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.570 5.977 5.182 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.575 8.257 3.498 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.729 8.013 5.226 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.870 9.772 4.032 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.734 9.166 5.671 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.171 7.235 1.563 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.121 7.141 0.071 1.00 0.01 C ATOM 2661 C ALA A 168 -13.181 6.027 -0.418 1.00 0.01 C ATOM 2662 O ALA A 168 -12.008 5.978 -0.110 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.631 8.474 -0.496 1.00 0.18 C ATOM 0 H ALA A 168 -13.553 7.931 1.980 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.128 6.906 -0.275 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.592 8.414 -1.584 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.316 9.269 -0.201 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.636 8.690 -0.108 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.738 5.151 -1.213 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.978 4.006 -1.809 1.00 0.01 C ATOM 2671 C ILE A 169 -13.510 3.830 -3.236 1.00 0.01 C ATOM 2672 O ILE A 169 -14.707 3.760 -3.434 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.252 2.717 -0.990 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -13.341 3.036 0.526 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.169 1.646 -1.259 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.008 3.559 1.098 1.00 3.99 C ATOM 0 H ILE A 169 -14.721 5.182 -1.484 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.904 4.195 -1.804 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.212 2.314 -1.312 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -14.121 3.779 0.693 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.637 2.137 1.067 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.386 0.754 -0.672 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.165 1.391 -2.319 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.192 2.038 -0.976 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.125 3.767 2.162 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -11.232 2.806 0.959 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.723 4.474 0.579 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.653 3.796 -4.245 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.145 3.670 -5.661 1.00 0.01 C ATOM 2690 C GLN A 170 -12.744 2.338 -6.316 1.00 0.02 C ATOM 2691 O GLN A 170 -13.399 1.908 -7.243 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.587 4.824 -6.496 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.239 6.137 -6.052 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.690 6.177 -6.537 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -14.958 6.580 -7.651 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.643 5.774 -5.742 1.00 5.17 N ATOM 0 H GLN A 170 -11.639 3.850 -4.145 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.234 3.702 -5.626 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.505 4.884 -6.376 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -12.781 4.649 -7.554 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.205 6.223 -4.966 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.686 6.985 -6.456 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.418 5.436 -4.807 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.613 5.797 -6.056 1.00 5.17 H new ATOM 2705 N SER A 171 -11.708 1.659 -5.888 1.00 0.01 N ATOM 2706 CA SER A 171 -11.369 0.364 -6.572 1.00 0.01 C ATOM 2707 C SER A 171 -10.546 -0.521 -5.631 1.00 0.01 C ATOM 2708 O SER A 171 -9.934 -0.049 -4.694 1.00 0.01 O ATOM 2709 CB SER A 171 -10.561 0.656 -7.839 1.00 0.01 C ATOM 2710 OG SER A 171 -9.175 0.652 -7.528 1.00 0.02 O ATOM 0 H SER A 171 -11.096 1.931 -5.118 1.00 0.01 H new ATOM 0 HA SER A 171 -12.290 -0.156 -6.837 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.776 -0.093 -8.601 1.00 0.01 H new ATOM 0 HB3 SER A 171 -10.849 1.623 -8.252 1.00 0.01 H new ATOM 0 HG SER A 171 -8.740 1.414 -7.965 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.499 -1.808 -5.890 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.678 -2.704 -5.018 1.00 0.01 C ATOM 2718 C PHE A 172 -9.219 -3.942 -5.797 1.00 0.01 C ATOM 2719 O PHE A 172 -9.832 -4.349 -6.764 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.453 -3.107 -3.756 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.830 -3.642 -4.084 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -11.972 -4.914 -4.651 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -12.968 -2.882 -3.778 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.249 -5.422 -4.919 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.242 -3.393 -4.040 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.384 -4.662 -4.611 1.00 1.92 C ATOM 0 H PHE A 172 -10.987 -2.270 -6.657 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.793 -2.151 -4.703 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -9.890 -3.865 -3.211 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.547 -2.244 -3.097 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.097 -5.503 -4.882 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.860 -1.901 -3.339 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.359 -6.400 -5.363 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.118 -2.808 -3.801 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.369 -5.056 -4.814 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.118 -4.532 -5.393 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.584 -5.728 -6.122 1.00 0.01 C ATOM 2738 C ARG A 173 -6.979 -6.729 -5.134 1.00 0.01 C ATOM 2739 O ARG A 173 -6.479 -6.368 -4.086 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.468 -5.286 -7.081 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.043 -4.507 -8.266 1.00 0.01 C ATOM 2742 CD ARG A 173 -5.902 -3.804 -9.009 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.692 -4.674 -9.011 1.00 0.01 N ATOM 2744 CZ ARG A 173 -3.712 -4.426 -9.836 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -3.799 -3.422 -10.666 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.649 -5.184 -9.834 1.00 0.01 N ATOM 0 H ARG A 173 -7.565 -4.236 -4.588 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.406 -6.192 -6.667 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.749 -4.665 -6.547 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -5.927 -6.160 -7.443 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -7.569 -5.183 -8.940 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.771 -3.775 -7.916 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.204 -3.582 -10.033 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.676 -2.851 -8.530 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.630 -5.463 -8.368 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.632 -2.833 -10.669 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.034 -3.226 -11.312 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.585 -5.970 -9.187 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -1.883 -4.990 -10.479 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.009 -7.989 -5.481 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.423 -9.036 -4.596 1.00 0.01 C ATOM 2762 C ARG A 174 -4.934 -9.190 -4.924 1.00 0.01 C ATOM 2763 O ARG A 174 -4.537 -9.143 -6.073 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.126 -10.373 -4.844 1.00 0.01 C ATOM 2765 CG ARG A 174 -6.970 -10.766 -6.316 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.837 -11.990 -6.615 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.457 -12.556 -7.940 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.843 -13.759 -8.271 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.560 -14.466 -7.440 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.511 -14.254 -9.432 1.00 0.01 N ATOM 0 H ARG A 174 -7.418 -8.339 -6.347 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.551 -8.744 -3.554 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.699 -11.145 -4.203 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.182 -10.294 -4.588 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.263 -9.935 -6.958 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.925 -10.986 -6.535 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.706 -12.741 -5.836 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.891 -11.711 -6.615 1.00 0.01 H new ATOM 0 HE ARG A 174 -6.896 -12.004 -8.588 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.819 -14.079 -6.532 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -8.862 -15.406 -7.698 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -6.950 -13.701 -10.081 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -7.812 -15.193 -9.691 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.105 -9.396 -3.932 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.644 -9.575 -4.210 1.00 0.01 C ATOM 2786 C ILE A 175 -2.341 -11.069 -4.352 1.00 0.00 C ATOM 2787 O ILE A 175 -2.696 -11.860 -3.501 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.789 -9.008 -3.069 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.293 -7.619 -2.667 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.338 -8.895 -3.541 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.357 -7.028 -1.605 1.00 3.04 C ATOM 0 H ILE A 175 -4.372 -9.448 -2.949 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.402 -9.040 -5.129 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.857 -9.674 -2.209 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.330 -6.966 -3.539 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.308 -7.687 -2.276 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.276 -8.493 -2.736 1.00 1.75 H new ATOM 0 HG22 ILE A 175 0.031 -9.882 -3.821 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.287 -8.230 -4.403 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.713 -6.039 -1.316 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.343 -7.678 -0.730 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.349 -6.946 -2.013 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.692 -11.464 -5.418 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.367 -12.914 -5.616 1.00 0.00 C ATOM 2805 C VAL A 176 0.075 -13.053 -6.108 1.00 0.01 C ATOM 2806 O VAL A 176 0.578 -12.218 -6.833 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.303 -13.510 -6.668 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.078 -15.020 -6.755 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.755 -13.232 -6.275 1.00 1.89 C ATOM 0 H VAL A 176 -1.371 -10.845 -6.163 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.490 -13.439 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.096 -13.056 -7.637 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.745 -15.445 -7.505 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -1.044 -15.218 -7.036 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.284 -15.475 -5.786 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.423 -13.657 -7.025 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -3.963 -13.685 -5.306 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -3.916 -12.156 -6.214 1.00 1.89 H new ATOM 2819 N GLU A 177 0.743 -14.106 -5.721 1.00 0.01 N ATOM 2820 CA GLU A 177 2.151 -14.309 -6.162 1.00 0.01 C ATOM 2821 C GLU A 177 2.186 -14.511 -7.680 1.00 0.01 C ATOM 2822 CB GLU A 177 2.729 -15.545 -5.470 1.00 2.15 C ATOM 2823 CG GLU A 177 1.876 -16.768 -5.812 1.00 3.19 C ATOM 2824 CD GLU A 177 2.356 -17.972 -5.000 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.938 -17.759 -3.949 1.00 4.89 O ATOM 2826 OE2 GLU A 177 2.135 -19.088 -5.443 1.00 4.77 O ATOM 0 H GLU A 177 0.371 -14.838 -5.115 1.00 0.01 H new ATOM 0 HA GLU A 177 2.744 -13.434 -5.898 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.759 -15.706 -5.790 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.750 -15.394 -4.391 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.827 -16.565 -5.595 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.944 -16.985 -6.878 1.00 3.19 H new TER 2833 GLU A 177