USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=52 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 153 LYS NZ :NH3+ -162:sc= -0.0334 (180deg=-0.532) USER MOD Set 1.2: A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Set 3.1: A 57 HIS : no HD1:sc= -0.538 K(o=-0.62,f=-1.8!) USER MOD Set 3.2: A 59 TYR OH : rot 180:sc= -0.0867 USER MOD Set 4.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 22 CYS SG : rot -103:sc= 0.689 USER MOD Set 4.3: A 26 CYS SG : rot 169:sc= -0.32 USER MOD Set 5.1: A 6 LYS NZ :NH3+ -131:sc= 0.0101 (180deg=-0.0537) USER MOD Set 5.2: A 8 SER OG : rot 177:sc= 0.00847 USER MOD Single : A 1 SER N :NH3+ 169:sc= -0.181 (180deg=-0.198) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -90:sc= -0.29 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.241! C(o=-1.8!,f=-0.24!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 24 CYS SG : rot 22:sc= 0.0833 USER MOD Single : A 31 SER OG : rot -30:sc= -0.67 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 40:sc= -0.777 USER MOD Single : A 37 ASN :FLIP amide:sc= -2.1 F(o=-6.7!,f=-2.1) USER MOD Single : A 38 SER OG : rot 68:sc= 1.21 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -157:sc= 0.612 USER MOD Single : A 53 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.28) USER MOD Single : A 55 SER OG : rot 180:sc= -0.18 USER MOD Single : A 58 MET CE :methyl 142:sc= -0.191 (180deg=-1.21) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0842 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.04 F(o=-3.1,f=-2) USER MOD Single : A 81 SER OG : rot -94:sc= -0.0417 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.414 USER MOD Single : A 86 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 94 LYS NZ :NH3+ -135:sc= -2.32 (180deg=-4.96!) USER MOD Single : A 96 GLN : amide:sc= -0.919 K(o=-0.92,f=-2.5) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -0.0133 (180deg=-0.289) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0662 F(o=-0.83,f=-0.066) USER MOD Single : A 106 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.19) USER MOD Single : A 107 MET CE :methyl 155:sc= 0 (180deg=-1.26) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 111 THR OG1 : rot 101:sc= 0.594 USER MOD Single : A 114 CYS SG : rot 70:sc= -0.0558 USER MOD Single : A 116 SER OG : rot 180:sc= -0.432 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.33) USER MOD Single : A 122 HIS : no HD1:sc= -0.669 X(o=-0.67,f=-0.29) USER MOD Single : A 127 HIS : no HD1:sc= -0.139 K(o=-0.14,f=-0.72) USER MOD Single : A 128 SER OG : rot 76:sc= -1.77! USER MOD Single : A 129 CYS SG : rot 42:sc= -1.74! USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= -0.0393 (180deg=-0.535) USER MOD Single : A 135 THR OG1 : rot 47:sc= 0.751 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.0418 USER MOD Single : A 143 ASN : amide:sc= -0.452 K(o=-0.45,f=-1.5) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0908 USER MOD Single : A 148 GLN :FLIP amide:sc= -0.582 F(o=-2.4!,f=-0.58) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 65:sc= -0.256 USER MOD Single : A 158 LYS NZ :NH3+ 163:sc= -0.019 (180deg=-0.26) USER MOD Single : A 166 SER OG : rot 180:sc= -0.0229 USER MOD Single : A 170 GLN : amide:sc= -7.24! C(o=-7.2!,f=-8.2!) USER MOD Single : A 171 SER OG : rot 137:sc= -0.503 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.612 -18.494 -18.181 1.00 4.50 N ATOM 2 CA SER A 1 -8.153 -17.124 -17.962 1.00 4.52 C ATOM 3 C SER A 1 -7.458 -16.488 -16.756 1.00 3.57 C ATOM 4 O SER A 1 -7.826 -15.421 -16.306 1.00 3.03 O ATOM 5 CB SER A 1 -9.658 -17.208 -17.700 1.00 4.81 C ATOM 6 OG SER A 1 -9.883 -17.868 -16.461 1.00 5.28 O ATOM 0 H1 SER A 1 -8.205 -18.995 -18.874 1.00 4.50 H new ATOM 0 H2 SER A 1 -6.638 -18.429 -18.541 1.00 4.50 H new ATOM 0 H3 SER A 1 -7.615 -19.016 -17.282 1.00 4.50 H new ATOM 0 HA SER A 1 -7.972 -16.514 -18.847 1.00 4.52 H new ATOM 0 HB2 SER A 1 -10.091 -16.208 -17.676 1.00 4.81 H new ATOM 0 HB3 SER A 1 -10.150 -17.749 -18.508 1.00 4.81 H new ATOM 0 HG SER A 1 -10.846 -17.922 -16.289 1.00 5.28 H new ATOM 14 N LYS A 2 -6.453 -17.135 -16.231 1.00 3.60 N ATOM 15 CA LYS A 2 -5.730 -16.569 -15.057 1.00 3.08 C ATOM 16 C LYS A 2 -6.733 -16.220 -13.955 1.00 2.11 C ATOM 17 O LYS A 2 -6.990 -17.018 -13.075 1.00 2.12 O ATOM 18 CB LYS A 2 -4.961 -15.319 -15.491 1.00 3.28 C ATOM 19 CG LYS A 2 -3.867 -15.712 -16.484 1.00 3.95 C ATOM 20 CD LYS A 2 -3.211 -14.452 -17.049 1.00 4.66 C ATOM 21 CE LYS A 2 -2.128 -14.847 -18.056 1.00 5.66 C ATOM 22 NZ LYS A 2 -1.490 -13.618 -18.605 1.00 5.96 N ATOM 0 H LYS A 2 -6.101 -18.032 -16.565 1.00 3.60 H new ATOM 0 HA LYS A 2 -5.025 -17.304 -14.669 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -5.642 -14.601 -15.949 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -4.520 -14.831 -14.622 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -3.120 -16.333 -15.990 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -4.292 -16.307 -17.292 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -3.960 -13.825 -17.532 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -2.775 -13.863 -16.242 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -1.379 -15.474 -17.573 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -2.564 -15.435 -18.863 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -0.754 -13.885 -19.289 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -2.209 -13.036 -19.080 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -1.061 -13.074 -17.830 1.00 5.96 H new ATOM 36 N THR A 3 -7.295 -15.042 -13.974 1.00 1.72 N ATOM 37 CA THR A 3 -8.266 -14.655 -12.911 1.00 1.18 C ATOM 38 C THR A 3 -8.917 -13.321 -13.282 1.00 1.02 C ATOM 39 O THR A 3 -8.453 -12.652 -14.185 1.00 1.63 O ATOM 40 CB THR A 3 -7.518 -14.476 -11.588 1.00 1.48 C ATOM 41 OG1 THR A 3 -8.367 -13.832 -10.648 1.00 2.13 O ATOM 42 CG2 THR A 3 -6.268 -13.625 -11.816 1.00 2.22 C ATOM 0 H THR A 3 -7.123 -14.329 -14.682 1.00 1.72 H new ATOM 0 HA THR A 3 -9.026 -15.430 -12.814 1.00 1.18 H new ATOM 0 HB THR A 3 -7.224 -15.452 -11.203 1.00 1.48 H new ATOM 0 HG1 THR A 3 -8.253 -12.861 -10.716 1.00 2.13 H new ATOM 0 HG21 THR A 3 -5.737 -13.499 -10.873 1.00 2.22 H new ATOM 0 HG22 THR A 3 -5.617 -14.121 -12.536 1.00 2.22 H new ATOM 0 HG23 THR A 3 -6.558 -12.648 -12.202 1.00 2.22 H new ATOM 50 N GLY A 4 -9.945 -12.886 -12.590 1.00 0.52 N ATOM 51 CA GLY A 4 -10.572 -11.557 -12.895 1.00 0.30 C ATOM 52 C GLY A 4 -10.422 -10.698 -11.638 1.00 0.41 C ATOM 53 O GLY A 4 -10.936 -11.029 -10.588 1.00 0.81 O ATOM 0 H GLY A 4 -10.380 -13.398 -11.822 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -10.082 -11.085 -13.747 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -11.623 -11.677 -13.158 1.00 0.30 H new ATOM 57 N GLY A 5 -9.714 -9.604 -11.727 1.00 0.01 N ATOM 58 CA GLY A 5 -9.531 -8.742 -10.523 1.00 0.01 C ATOM 59 C GLY A 5 -10.818 -7.968 -10.232 1.00 0.01 C ATOM 60 O GLY A 5 -11.530 -7.562 -11.129 1.00 0.01 O ATOM 0 H GLY A 5 -9.257 -9.271 -12.576 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -9.264 -9.356 -9.663 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.708 -8.046 -10.685 1.00 0.01 H new ATOM 64 N LYS A 6 -11.119 -7.764 -8.976 1.00 0.00 N ATOM 65 CA LYS A 6 -12.358 -7.018 -8.600 1.00 0.01 C ATOM 66 C LYS A 6 -12.131 -6.267 -7.283 1.00 0.01 C ATOM 67 O LYS A 6 -11.601 -6.802 -6.329 1.00 0.00 O ATOM 68 CB LYS A 6 -13.522 -8.005 -8.441 1.00 0.02 C ATOM 69 CG LYS A 6 -14.732 -7.301 -7.814 1.00 0.02 C ATOM 70 CD LYS A 6 -15.981 -8.177 -7.977 1.00 0.02 C ATOM 71 CE LYS A 6 -17.057 -7.743 -6.976 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.735 -8.297 -5.629 1.00 0.02 N ATOM 0 H LYS A 6 -10.556 -8.084 -8.188 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.599 -6.299 -9.383 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.795 -8.416 -9.413 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.215 -8.843 -7.815 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.546 -7.109 -6.757 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.890 -6.334 -8.291 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -16.364 -8.094 -8.994 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.725 -9.224 -7.817 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -17.109 -6.655 -6.931 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -18.036 -8.096 -7.302 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.579 -8.757 -5.232 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.969 -8.995 -5.715 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.432 -7.526 -5.000 1.00 0.02 H new ATOM 86 N ILE A 7 -12.564 -5.031 -7.230 1.00 0.02 N ATOM 87 CA ILE A 7 -12.426 -4.210 -5.984 1.00 0.00 C ATOM 88 C ILE A 7 -13.802 -3.628 -5.644 1.00 0.02 C ATOM 89 O ILE A 7 -14.527 -3.185 -6.514 1.00 0.01 O ATOM 90 CB ILE A 7 -11.388 -3.103 -6.196 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.407 -2.145 -5.002 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.697 -2.326 -7.476 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.191 -1.215 -5.070 1.00 0.02 C ATOM 0 H ILE A 7 -13.014 -4.549 -8.008 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.079 -4.825 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.402 -3.558 -6.286 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.326 -1.559 -5.007 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.394 -2.709 -4.070 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.952 -1.542 -7.615 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.673 -3.005 -8.328 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.687 -1.876 -7.398 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.206 -0.534 -4.219 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.277 -1.808 -5.043 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.224 -0.640 -5.996 1.00 0.02 H new ATOM 105 N SER A 8 -14.169 -3.627 -4.384 1.00 0.02 N ATOM 106 CA SER A 8 -15.502 -3.076 -3.969 1.00 0.02 C ATOM 107 C SER A 8 -15.313 -1.941 -2.963 1.00 0.01 C ATOM 108 O SER A 8 -14.621 -2.083 -1.979 1.00 0.02 O ATOM 109 CB SER A 8 -16.348 -4.177 -3.328 1.00 0.30 C ATOM 110 OG SER A 8 -16.213 -5.373 -4.084 1.00 0.39 O ATOM 0 H SER A 8 -13.599 -3.987 -3.619 1.00 0.02 H new ATOM 0 HA SER A 8 -16.009 -2.695 -4.855 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.028 -4.345 -2.300 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.394 -3.873 -3.291 1.00 0.30 H new ATOM 0 HG SER A 8 -16.714 -6.094 -3.648 1.00 0.39 H new ATOM 116 N PHE A 9 -15.950 -0.819 -3.204 1.00 0.02 N ATOM 117 CA PHE A 9 -15.853 0.348 -2.269 1.00 0.01 C ATOM 118 C PHE A 9 -17.210 0.543 -1.570 1.00 0.01 C ATOM 119 O PHE A 9 -18.246 0.384 -2.182 1.00 0.02 O ATOM 120 CB PHE A 9 -15.514 1.617 -3.063 1.00 0.02 C ATOM 121 CG PHE A 9 -14.441 1.333 -4.090 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.768 0.671 -5.277 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.123 1.753 -3.863 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.779 0.424 -6.238 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.135 1.509 -4.824 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.463 0.843 -6.011 1.00 0.02 C ATOM 0 H PHE A 9 -16.541 -0.661 -4.020 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.073 0.160 -1.531 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.409 1.992 -3.559 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.176 2.398 -2.383 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.784 0.350 -5.453 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.870 2.265 -2.946 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.032 -0.090 -7.154 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.120 1.834 -4.650 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.700 0.653 -6.752 1.00 0.02 H new ATOM 136 N TYR A 10 -17.214 0.881 -0.298 1.00 0.02 N ATOM 137 CA TYR A 10 -18.511 1.081 0.441 1.00 0.01 C ATOM 138 C TYR A 10 -18.556 2.499 1.023 1.00 0.02 C ATOM 139 O TYR A 10 -17.570 3.005 1.518 1.00 0.01 O ATOM 140 CB TYR A 10 -18.609 0.068 1.589 1.00 0.02 C ATOM 141 CG TYR A 10 -18.217 -1.308 1.096 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.874 -1.600 0.829 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.196 -2.294 0.914 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.510 -2.873 0.375 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.831 -3.567 0.461 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.489 -3.857 0.193 1.00 0.00 C ATOM 147 OH TYR A 10 -17.130 -5.112 -0.255 1.00 0.02 O ATOM 0 H TYR A 10 -16.374 1.028 0.262 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.343 0.938 -0.249 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.957 0.370 2.409 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.626 0.047 1.982 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.118 -0.842 0.973 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.232 -2.072 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.474 -3.096 0.165 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.586 -4.326 0.318 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.929 -5.675 -0.326 1.00 0.02 H new ATOM 157 N GLU A 11 -19.686 3.159 0.944 1.00 0.00 N ATOM 158 CA GLU A 11 -19.768 4.555 1.464 1.00 0.02 C ATOM 159 C GLU A 11 -19.636 4.592 2.988 1.00 0.03 C ATOM 160 O GLU A 11 -19.187 5.579 3.537 1.00 0.03 O ATOM 161 CB GLU A 11 -21.120 5.171 1.073 1.00 0.00 C ATOM 162 CG GLU A 11 -21.115 5.536 -0.411 1.00 0.00 C ATOM 163 CD GLU A 11 -22.459 6.162 -0.786 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.426 5.906 -0.086 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.500 6.887 -1.767 1.00 0.02 O ATOM 0 H GLU A 11 -20.549 2.792 0.544 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.946 5.123 1.027 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.925 4.465 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.312 6.059 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.305 6.234 -0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.935 4.647 -1.015 1.00 0.00 H new ATOM 172 N ASP A 12 -20.018 3.546 3.688 1.00 0.02 N ATOM 173 CA ASP A 12 -19.904 3.556 5.182 1.00 0.01 C ATOM 174 C ASP A 12 -18.888 2.508 5.642 1.00 0.02 C ATOM 175 O ASP A 12 -18.412 1.693 4.877 1.00 0.02 O ATOM 176 CB ASP A 12 -21.266 3.239 5.808 1.00 0.01 C ATOM 177 CG ASP A 12 -22.359 4.020 5.078 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.021 4.952 4.367 1.00 0.02 O ATOM 179 OD2 ASP A 12 -23.519 3.674 5.241 1.00 0.03 O ATOM 0 H ASP A 12 -20.402 2.689 3.289 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.573 4.545 5.499 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.466 2.169 5.746 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.262 3.502 6.866 1.00 0.01 H new ATOM 184 N ARG A 13 -18.552 2.550 6.898 1.00 0.02 N ATOM 185 CA ARG A 13 -17.563 1.593 7.467 1.00 0.02 C ATOM 186 C ARG A 13 -18.208 0.216 7.660 1.00 0.00 C ATOM 187 O ARG A 13 -19.416 0.071 7.680 1.00 0.02 O ATOM 188 CB ARG A 13 -17.098 2.133 8.820 1.00 0.00 C ATOM 189 CG ARG A 13 -16.221 3.369 8.603 1.00 0.01 C ATOM 190 CD ARG A 13 -15.854 3.978 9.957 1.00 0.02 C ATOM 191 NE ARG A 13 -17.093 4.424 10.653 1.00 0.03 N ATOM 192 CZ ARG A 13 -17.065 4.698 11.929 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.948 4.585 12.594 1.00 0.02 N ATOM 194 NH2 ARG A 13 -18.153 5.084 12.537 1.00 0.02 N ATOM 0 H ARG A 13 -18.928 3.220 7.569 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.718 1.488 6.787 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -17.959 2.389 9.437 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.538 1.367 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.317 3.096 8.058 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.751 4.102 7.994 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.326 3.245 10.566 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.179 4.822 9.817 1.00 0.02 H new ATOM 0 HE ARG A 13 -17.965 4.515 10.132 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -15.099 4.283 12.117 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.924 4.799 13.591 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -19.025 5.172 12.015 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -18.131 5.298 13.534 1.00 0.02 H new ATOM 208 N ASN A 14 -17.391 -0.797 7.803 1.00 0.02 N ATOM 209 CA ASN A 14 -17.905 -2.183 8.011 1.00 0.02 C ATOM 210 C ASN A 14 -18.715 -2.649 6.803 1.00 0.02 C ATOM 211 O ASN A 14 -19.650 -3.417 6.910 1.00 0.02 O ATOM 212 CB ASN A 14 -18.762 -2.216 9.282 1.00 0.26 C ATOM 213 CG ASN A 14 -18.931 -3.664 9.753 1.00 0.12 C ATOM 214 OD1 ASN A 14 -18.714 -3.957 11.006 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 -19.263 -4.534 8.973 1.00 0.46 N flip ATOM 0 H ASN A 14 -16.374 -0.720 7.784 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.062 -2.864 8.126 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.292 -1.621 10.065 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.737 -1.771 9.086 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -19.432 -4.304 7.994 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -19.372 -5.495 9.297 1.00 0.46 H new ATOM 222 N PHE A 15 -18.320 -2.197 5.645 1.00 0.02 N ATOM 223 CA PHE A 15 -19.003 -2.604 4.385 1.00 0.02 C ATOM 224 C PHE A 15 -20.502 -2.309 4.455 1.00 0.00 C ATOM 225 O PHE A 15 -21.317 -3.074 3.978 1.00 0.02 O ATOM 226 CB PHE A 15 -18.783 -4.110 4.159 1.00 0.02 C ATOM 227 CG PHE A 15 -17.424 -4.507 4.686 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.277 -4.267 3.920 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.311 -5.118 5.941 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.019 -4.636 4.410 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.053 -5.487 6.431 1.00 0.02 C ATOM 232 CZ PHE A 15 -14.907 -5.246 5.666 1.00 0.02 C ATOM 0 H PHE A 15 -17.540 -1.552 5.517 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.582 -2.034 3.557 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.562 -4.682 4.664 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.855 -4.343 3.097 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.363 -3.797 2.951 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.196 -5.305 6.532 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.134 -4.450 3.819 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -15.967 -5.958 7.399 1.00 0.02 H new ATOM 0 HZ PHE A 15 -13.936 -5.530 6.044 1.00 0.02 H new ATOM 242 N GLN A 16 -20.865 -1.187 5.024 1.00 0.02 N ATOM 243 CA GLN A 16 -22.309 -0.805 5.108 1.00 0.02 C ATOM 244 C GLN A 16 -22.545 0.383 4.168 1.00 0.02 C ATOM 245 O GLN A 16 -21.610 1.011 3.711 1.00 0.02 O ATOM 246 CB GLN A 16 -22.640 -0.387 6.545 1.00 0.02 C ATOM 247 CG GLN A 16 -22.812 -1.635 7.415 1.00 0.00 C ATOM 248 CD GLN A 16 -22.859 -1.230 8.890 1.00 0.00 C ATOM 249 OE1 GLN A 16 -23.179 -0.006 9.210 1.00 0.02 O flip ATOM 250 NE2 GLN A 16 -22.601 -2.037 9.761 1.00 0.02 N flip ATOM 0 H GLN A 16 -20.219 -0.514 5.437 1.00 0.02 H new ATOM 0 HA GLN A 16 -22.941 -1.646 4.823 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.843 0.241 6.945 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.553 0.208 6.560 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.729 -2.158 7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.987 -2.327 7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.351 -2.994 9.512 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -22.635 -1.758 10.741 1.00 0.02 H new ATOM 259 N GLY A 17 -23.778 0.696 3.868 1.00 0.03 N ATOM 260 CA GLY A 17 -24.052 1.849 2.954 1.00 0.03 C ATOM 261 C GLY A 17 -24.072 1.390 1.492 1.00 0.02 C ATOM 262 O GLY A 17 -24.087 0.211 1.197 1.00 0.02 O ATOM 0 H GLY A 17 -24.604 0.208 4.213 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.009 2.303 3.211 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.289 2.616 3.089 1.00 0.03 H new ATOM 266 N ARG A 18 -24.061 2.322 0.577 1.00 0.00 N ATOM 267 CA ARG A 18 -24.066 1.969 -0.875 1.00 0.02 C ATOM 268 C ARG A 18 -22.720 1.340 -1.246 1.00 0.02 C ATOM 269 O ARG A 18 -21.688 1.715 -0.727 1.00 0.02 O ATOM 270 CB ARG A 18 -24.280 3.242 -1.696 1.00 0.79 C ATOM 271 CG ARG A 18 -24.481 2.877 -3.168 1.00 1.49 C ATOM 272 CD ARG A 18 -25.030 4.088 -3.926 1.00 1.42 C ATOM 273 NE ARG A 18 -24.197 5.285 -3.620 1.00 2.07 N ATOM 274 CZ ARG A 18 -24.285 6.350 -4.369 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.102 6.365 -5.386 1.00 2.53 N ATOM 276 NH2 ARG A 18 -23.557 7.400 -4.101 1.00 2.76 N ATOM 0 H ARG A 18 -24.049 3.323 0.774 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.867 1.260 -1.083 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.149 3.785 -1.324 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.421 3.904 -1.589 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.535 2.559 -3.607 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.171 2.038 -3.254 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -25.024 3.892 -4.998 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -26.066 4.270 -3.641 1.00 1.42 H new ATOM 0 HE ARG A 18 -23.558 5.272 -2.825 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -25.671 5.545 -5.595 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.172 7.197 -5.972 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -22.919 7.388 -3.306 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -23.627 8.232 -4.687 1.00 2.76 H new ATOM 290 N ARG A 19 -22.734 0.369 -2.130 1.00 0.02 N ATOM 291 CA ARG A 19 -21.467 -0.320 -2.536 1.00 0.02 C ATOM 292 C ARG A 19 -21.242 -0.169 -4.045 1.00 0.02 C ATOM 293 O ARG A 19 -22.172 -0.109 -4.824 1.00 0.02 O ATOM 294 CB ARG A 19 -21.592 -1.810 -2.202 1.00 0.85 C ATOM 295 CG ARG A 19 -20.245 -2.508 -2.411 1.00 1.31 C ATOM 296 CD ARG A 19 -20.429 -4.023 -2.278 1.00 1.34 C ATOM 297 NE ARG A 19 -21.433 -4.312 -1.217 1.00 1.50 N ATOM 298 CZ ARG A 19 -21.971 -5.498 -1.133 1.00 1.63 C ATOM 299 NH1 ARG A 19 -21.629 -6.431 -1.979 1.00 1.72 N ATOM 300 NH2 ARG A 19 -22.850 -5.752 -0.201 1.00 1.89 N ATOM 0 H ARG A 19 -23.575 0.022 -2.591 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.627 0.126 -2.003 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.919 -1.934 -1.169 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.351 -2.270 -2.834 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.846 -2.264 -3.396 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.522 -2.153 -1.677 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -20.757 -4.445 -3.228 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -19.478 -4.495 -2.031 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.700 -3.583 -0.556 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.941 -6.233 -2.706 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -22.049 -7.358 -1.913 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -23.116 -5.023 0.461 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -23.270 -6.679 -0.135 1.00 1.89 H new ATOM 314 N TYR A 20 -20.000 -0.129 -4.452 1.00 0.02 N ATOM 315 CA TYR A 20 -19.661 -0.006 -5.906 1.00 0.02 C ATOM 316 C TYR A 20 -18.599 -1.055 -6.239 1.00 0.02 C ATOM 317 O TYR A 20 -17.589 -1.150 -5.577 1.00 0.02 O ATOM 318 CB TYR A 20 -19.116 1.397 -6.195 1.00 0.02 C ATOM 319 CG TYR A 20 -18.601 1.463 -7.616 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.480 1.258 -8.688 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.247 1.727 -7.865 1.00 0.01 C ATOM 322 CE1 TYR A 20 -19.006 1.318 -10.004 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.774 1.788 -9.181 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.653 1.583 -10.250 1.00 0.02 C ATOM 325 OH TYR A 20 -17.187 1.642 -11.548 1.00 0.01 O ATOM 0 H TYR A 20 -19.192 -0.177 -3.831 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.551 -0.165 -6.515 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.900 2.139 -6.048 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.315 1.637 -5.496 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.523 1.054 -8.499 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.568 1.884 -7.040 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -19.684 1.160 -10.830 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.731 1.993 -9.371 1.00 0.02 H new ATOM 0 HH TYR A 20 -16.226 1.836 -11.542 1.00 0.01 H new ATOM 335 N ASP A 21 -18.832 -1.857 -7.250 1.00 0.01 N ATOM 336 CA ASP A 21 -17.854 -2.928 -7.631 1.00 0.02 C ATOM 337 C ASP A 21 -17.232 -2.605 -8.992 1.00 0.00 C ATOM 338 O ASP A 21 -17.907 -2.196 -9.915 1.00 0.01 O ATOM 339 CB ASP A 21 -18.600 -4.263 -7.721 1.00 0.12 C ATOM 340 CG ASP A 21 -19.928 -4.058 -8.452 1.00 0.41 C ATOM 341 OD1 ASP A 21 -19.919 -4.079 -9.672 1.00 1.12 O ATOM 342 OD2 ASP A 21 -20.931 -3.884 -7.780 1.00 0.56 O ATOM 0 H ASP A 21 -19.667 -1.816 -7.834 1.00 0.01 H new ATOM 0 HA ASP A 21 -17.064 -2.986 -6.883 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.991 -4.997 -8.250 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.780 -4.659 -6.722 1.00 0.12 H new ATOM 347 N CYS A 22 -15.936 -2.785 -9.112 1.00 0.01 N ATOM 348 CA CYS A 22 -15.236 -2.491 -10.405 1.00 0.00 C ATOM 349 C CYS A 22 -14.340 -3.675 -10.784 1.00 0.02 C ATOM 350 O CYS A 22 -13.690 -4.269 -9.947 1.00 0.01 O ATOM 351 CB CYS A 22 -14.392 -1.225 -10.240 1.00 0.00 C ATOM 352 SG CYS A 22 -13.877 -0.627 -11.871 1.00 0.02 S ATOM 0 H CYS A 22 -15.330 -3.125 -8.365 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.969 -2.336 -11.197 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.967 -0.456 -9.724 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.517 -1.436 -9.625 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.634 -0.946 -12.077 1.00 0.02 H new ATOM 358 N ASP A 23 -14.317 -4.022 -12.049 1.00 0.01 N ATOM 359 CA ASP A 23 -13.482 -5.175 -12.521 1.00 0.02 C ATOM 360 C ASP A 23 -12.412 -4.673 -13.493 1.00 0.00 C ATOM 361 O ASP A 23 -11.740 -5.448 -14.146 1.00 0.02 O ATOM 362 CB ASP A 23 -14.381 -6.188 -13.234 1.00 0.16 C ATOM 363 CG ASP A 23 -15.307 -6.854 -12.216 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.215 -6.189 -11.746 1.00 0.20 O ATOM 365 OD2 ASP A 23 -15.094 -8.020 -11.925 1.00 0.17 O ATOM 0 H ASP A 23 -14.846 -3.551 -12.783 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.998 -5.648 -11.666 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -14.969 -5.689 -14.004 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -13.772 -6.941 -13.735 1.00 0.16 H new ATOM 370 N CYS A 24 -12.235 -3.383 -13.586 1.00 0.01 N ATOM 371 CA CYS A 24 -11.197 -2.830 -14.502 1.00 0.01 C ATOM 372 C CYS A 24 -10.838 -1.421 -14.025 1.00 0.01 C ATOM 373 O CYS A 24 -11.439 -0.907 -13.104 1.00 0.01 O ATOM 374 CB CYS A 24 -11.746 -2.771 -15.929 1.00 0.62 C ATOM 375 SG CYS A 24 -11.735 -4.431 -16.649 1.00 1.23 S ATOM 0 H CYS A 24 -12.767 -2.686 -13.065 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.311 -3.465 -14.495 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.760 -2.372 -15.924 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -11.141 -2.096 -16.535 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.711 -5.317 -15.698 1.00 1.23 H new ATOM 381 N ASP A 25 -9.868 -0.785 -14.624 1.00 0.02 N ATOM 382 CA ASP A 25 -9.496 0.586 -14.171 1.00 0.01 C ATOM 383 C ASP A 25 -10.691 1.528 -14.327 1.00 0.02 C ATOM 384 O ASP A 25 -11.456 1.425 -15.265 1.00 0.00 O ATOM 385 CB ASP A 25 -8.343 1.103 -15.033 1.00 0.01 C ATOM 386 CG ASP A 25 -7.167 0.129 -14.950 1.00 0.01 C ATOM 387 OD1 ASP A 25 -7.381 -0.989 -14.511 1.00 0.01 O ATOM 388 OD2 ASP A 25 -6.074 0.517 -15.327 1.00 0.01 O ATOM 0 H ASP A 25 -9.320 -1.152 -15.402 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.197 0.549 -13.124 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.668 1.210 -16.068 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -8.035 2.091 -14.692 1.00 0.01 H new ATOM 393 N CYS A 26 -10.845 2.460 -13.417 1.00 0.01 N ATOM 394 CA CYS A 26 -11.977 3.438 -13.504 1.00 0.01 C ATOM 395 C CYS A 26 -11.421 4.847 -13.292 1.00 0.01 C ATOM 396 O CYS A 26 -10.852 5.154 -12.265 1.00 0.01 O ATOM 397 CB CYS A 26 -13.026 3.124 -12.433 1.00 0.01 C ATOM 398 SG CYS A 26 -14.435 4.244 -12.618 1.00 0.02 S ATOM 0 H CYS A 26 -10.231 2.586 -12.612 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.451 3.369 -14.483 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.356 2.089 -12.525 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.590 3.232 -11.440 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.417 3.833 -11.872 1.00 0.02 H new ATOM 404 N ALA A 27 -11.544 5.696 -14.276 1.00 0.01 N ATOM 405 CA ALA A 27 -10.984 7.068 -14.142 1.00 0.01 C ATOM 406 C ALA A 27 -11.894 7.948 -13.283 1.00 0.01 C ATOM 407 O ALA A 27 -11.455 8.907 -12.684 1.00 0.02 O ATOM 408 CB ALA A 27 -10.834 7.694 -15.531 1.00 0.24 C ATOM 0 H ALA A 27 -12.007 5.499 -15.163 1.00 0.01 H new ATOM 0 HA ALA A 27 -10.011 6.999 -13.656 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.424 8.699 -15.435 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -10.162 7.084 -16.134 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.810 7.745 -16.014 1.00 0.24 H new ATOM 414 N ASP A 28 -13.162 7.639 -13.219 1.00 0.01 N ATOM 415 CA ASP A 28 -14.092 8.471 -12.399 1.00 0.02 C ATOM 416 C ASP A 28 -15.286 7.614 -11.962 1.00 0.01 C ATOM 417 O ASP A 28 -16.190 7.349 -12.730 1.00 0.02 O ATOM 418 CB ASP A 28 -14.589 9.655 -13.233 1.00 0.67 C ATOM 419 CG ASP A 28 -15.260 10.680 -12.318 1.00 0.90 C ATOM 420 OD1 ASP A 28 -16.408 10.468 -11.965 1.00 0.87 O ATOM 421 OD2 ASP A 28 -14.614 11.659 -11.985 1.00 1.14 O ATOM 0 H ASP A 28 -13.594 6.848 -13.698 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.569 8.844 -11.519 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -13.755 10.116 -13.762 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -15.295 9.310 -13.989 1.00 0.67 H new ATOM 426 N PHE A 29 -15.289 7.185 -10.727 1.00 0.02 N ATOM 427 CA PHE A 29 -16.411 6.342 -10.202 1.00 0.02 C ATOM 428 C PHE A 29 -17.351 7.202 -9.348 1.00 0.00 C ATOM 429 O PHE A 29 -18.213 6.711 -8.644 1.00 0.02 O ATOM 430 CB PHE A 29 -15.841 5.190 -9.368 1.00 2.87 C ATOM 431 CG PHE A 29 -15.254 5.718 -8.082 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.914 6.120 -8.035 1.00 4.68 C ATOM 433 CD2 PHE A 29 -16.050 5.801 -6.933 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.372 6.605 -6.841 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.505 6.285 -5.739 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.170 6.687 -5.694 1.00 6.37 C ATOM 0 H PHE A 29 -14.553 7.384 -10.049 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.976 5.929 -11.037 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.627 4.467 -9.148 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -15.075 4.664 -9.937 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.299 6.056 -8.921 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -17.084 5.492 -6.969 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.338 6.916 -6.804 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -16.118 6.347 -4.852 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.751 7.062 -4.772 1.00 6.37 H new ATOM 446 N ARG A 30 -17.155 8.492 -9.386 1.00 0.01 N ATOM 447 CA ARG A 30 -17.992 9.416 -8.568 1.00 0.00 C ATOM 448 C ARG A 30 -19.478 9.292 -8.924 1.00 0.01 C ATOM 449 O ARG A 30 -20.332 9.605 -8.118 1.00 0.02 O ATOM 450 CB ARG A 30 -17.543 10.857 -8.813 1.00 0.32 C ATOM 451 CG ARG A 30 -16.025 10.953 -8.656 1.00 0.86 C ATOM 452 CD ARG A 30 -15.600 12.422 -8.689 1.00 1.62 C ATOM 453 NE ARG A 30 -16.053 13.040 -9.967 1.00 2.25 N ATOM 454 CZ ARG A 30 -16.069 14.338 -10.092 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.688 15.094 -9.098 1.00 3.11 N ATOM 456 NH2 ARG A 30 -16.466 14.881 -11.210 1.00 3.02 N ATOM 0 H ARG A 30 -16.443 8.950 -9.955 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.865 9.147 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.836 11.175 -9.813 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -18.035 11.527 -8.108 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.716 10.495 -7.716 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.531 10.402 -9.456 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -16.030 12.956 -7.842 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.517 12.501 -8.598 1.00 1.62 H new ATOM 0 HE ARG A 30 -16.350 12.449 -10.743 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.378 14.669 -8.224 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.700 16.109 -9.196 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -16.764 14.290 -11.986 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.478 15.896 -11.308 1.00 3.02 H new ATOM 470 N SER A 31 -19.811 8.870 -10.116 1.00 0.02 N ATOM 471 CA SER A 31 -21.252 8.771 -10.493 1.00 0.02 C ATOM 472 C SER A 31 -21.899 7.545 -9.846 1.00 0.01 C ATOM 473 O SER A 31 -23.107 7.440 -9.772 1.00 0.02 O ATOM 474 CB SER A 31 -21.365 8.656 -12.013 1.00 0.37 C ATOM 475 OG SER A 31 -21.052 7.327 -12.408 1.00 0.88 O ATOM 0 H SER A 31 -19.151 8.591 -10.842 1.00 0.02 H new ATOM 0 HA SER A 31 -21.768 9.664 -10.141 1.00 0.02 H new ATOM 0 HB2 SER A 31 -22.374 8.915 -12.335 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.686 9.360 -12.494 1.00 0.37 H new ATOM 0 HG SER A 31 -20.406 6.942 -11.779 1.00 0.88 H new ATOM 481 N TYR A 32 -21.106 6.608 -9.395 1.00 0.01 N ATOM 482 CA TYR A 32 -21.666 5.369 -8.770 1.00 0.01 C ATOM 483 C TYR A 32 -21.511 5.446 -7.252 1.00 0.02 C ATOM 484 O TYR A 32 -22.209 4.782 -6.514 1.00 0.02 O ATOM 485 CB TYR A 32 -20.892 4.157 -9.292 1.00 0.02 C ATOM 486 CG TYR A 32 -21.090 4.038 -10.785 1.00 0.02 C ATOM 487 CD1 TYR A 32 -20.270 4.762 -11.658 1.00 0.01 C ATOM 488 CD2 TYR A 32 -22.093 3.205 -11.295 1.00 0.01 C ATOM 489 CE1 TYR A 32 -20.452 4.655 -13.041 1.00 0.02 C ATOM 490 CE2 TYR A 32 -22.277 3.099 -12.679 1.00 0.00 C ATOM 491 CZ TYR A 32 -21.455 3.823 -13.552 1.00 0.02 C ATOM 492 OH TYR A 32 -21.637 3.717 -14.916 1.00 0.02 O ATOM 0 H TYR A 32 -20.087 6.647 -9.432 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.722 5.276 -9.023 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.832 4.263 -9.062 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -21.237 3.250 -8.795 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -19.496 5.404 -11.264 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -22.724 2.645 -10.621 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -19.819 5.214 -13.714 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -23.053 2.459 -13.073 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.374 3.098 -15.101 1.00 0.02 H new ATOM 502 N LEU A 33 -20.595 6.245 -6.780 1.00 0.02 N ATOM 503 CA LEU A 33 -20.383 6.361 -5.306 1.00 0.02 C ATOM 504 C LEU A 33 -19.868 7.773 -4.985 1.00 0.02 C ATOM 505 O LEU A 33 -18.938 8.268 -5.592 1.00 0.02 O ATOM 506 CB LEU A 33 -19.336 5.311 -4.877 1.00 1.66 C ATOM 507 CG LEU A 33 -19.660 4.763 -3.473 1.00 2.38 C ATOM 508 CD1 LEU A 33 -20.973 3.943 -3.500 1.00 3.32 C ATOM 509 CD2 LEU A 33 -18.502 3.872 -3.005 1.00 2.80 C ATOM 0 H LEU A 33 -19.981 6.825 -7.352 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.317 6.189 -4.770 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -19.317 4.493 -5.597 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.342 5.759 -4.878 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.789 5.598 -2.784 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -21.186 3.564 -2.500 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.794 4.581 -3.829 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -20.865 3.106 -4.190 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -18.723 3.480 -2.012 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -18.375 3.044 -3.702 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.584 4.458 -2.968 1.00 2.80 H new ATOM 521 N SER A 34 -20.498 8.422 -4.041 1.00 0.02 N ATOM 522 CA SER A 34 -20.097 9.812 -3.671 1.00 0.02 C ATOM 523 C SER A 34 -18.952 9.804 -2.651 1.00 0.00 C ATOM 524 O SER A 34 -18.364 10.827 -2.364 1.00 0.01 O ATOM 525 CB SER A 34 -21.305 10.529 -3.068 1.00 0.02 C ATOM 526 OG SER A 34 -21.755 9.810 -1.928 1.00 0.02 O ATOM 0 H SER A 34 -21.280 8.045 -3.506 1.00 0.02 H new ATOM 0 HA SER A 34 -19.752 10.328 -4.567 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.036 11.547 -2.787 1.00 0.02 H new ATOM 0 HB3 SER A 34 -22.105 10.602 -3.805 1.00 0.02 H new ATOM 0 HG SER A 34 -22.529 10.267 -1.537 1.00 0.02 H new ATOM 532 N ARG A 35 -18.621 8.666 -2.101 1.00 0.02 N ATOM 533 CA ARG A 35 -17.512 8.595 -1.103 1.00 0.01 C ATOM 534 C ARG A 35 -17.230 7.119 -0.813 1.00 0.02 C ATOM 535 O ARG A 35 -18.041 6.262 -1.098 1.00 0.02 O ATOM 536 CB ARG A 35 -17.934 9.296 0.190 1.00 0.02 C ATOM 537 CG ARG A 35 -19.214 8.650 0.724 1.00 0.02 C ATOM 538 CD ARG A 35 -19.760 9.484 1.884 1.00 0.02 C ATOM 539 NE ARG A 35 -20.136 10.837 1.389 1.00 0.02 N ATOM 540 CZ ARG A 35 -20.894 11.612 2.117 1.00 0.02 C ATOM 541 NH1 ARG A 35 -21.326 11.197 3.277 1.00 0.00 N ATOM 542 NH2 ARG A 35 -21.220 12.798 1.685 1.00 0.02 N ATOM 0 H ARG A 35 -19.075 7.775 -2.302 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.621 9.085 -1.495 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -17.139 9.223 0.932 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -18.099 10.357 0.004 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.958 8.581 -0.070 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -19.009 7.633 1.058 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -20.628 8.992 2.323 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -19.010 9.568 2.670 1.00 0.02 H new ATOM 0 HE ARG A 35 -19.801 11.159 0.481 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -21.071 10.268 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.918 11.801 3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -20.883 13.121 0.778 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -21.812 13.403 2.254 1.00 0.02 H new ATOM 556 N CYS A 36 -16.095 6.805 -0.244 1.00 0.02 N ATOM 557 CA CYS A 36 -15.770 5.381 0.072 1.00 0.02 C ATOM 558 C CYS A 36 -15.001 5.336 1.396 1.00 0.02 C ATOM 559 O CYS A 36 -13.912 5.869 1.486 1.00 0.02 O ATOM 560 CB CYS A 36 -14.898 4.805 -1.042 1.00 0.02 C ATOM 561 SG CYS A 36 -13.571 5.972 -1.430 1.00 0.02 S ATOM 0 H CYS A 36 -15.374 7.478 0.017 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.686 4.796 0.154 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.477 3.849 -0.732 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.501 4.615 -1.930 1.00 0.02 H new ATOM 0 HG CYS A 36 -13.114 6.492 -0.329 1.00 0.02 H new ATOM 567 N ASN A 37 -15.547 4.739 2.436 1.00 0.02 N ATOM 568 CA ASN A 37 -14.822 4.715 3.753 1.00 0.01 C ATOM 569 C ASN A 37 -14.280 3.315 4.052 1.00 0.02 C ATOM 570 O ASN A 37 -13.664 3.072 5.072 1.00 0.02 O ATOM 571 CB ASN A 37 -15.777 5.129 4.873 1.00 0.02 C ATOM 572 CG ASN A 37 -16.507 6.412 4.471 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.096 7.083 3.429 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 -17.462 6.807 5.108 1.00 0.02 N flip ATOM 0 H ASN A 37 -16.454 4.272 2.430 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.986 5.412 3.695 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.497 4.333 5.065 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.223 5.288 5.798 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -17.784 6.283 5.922 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -17.943 7.662 4.829 1.00 0.02 H new ATOM 581 N SER A 38 -14.479 2.401 3.143 1.00 0.02 N ATOM 582 CA SER A 38 -13.962 1.015 3.324 1.00 0.02 C ATOM 583 C SER A 38 -13.796 0.394 1.940 1.00 0.01 C ATOM 584 O SER A 38 -14.440 0.799 0.991 1.00 0.02 O ATOM 585 CB SER A 38 -14.935 0.183 4.161 1.00 0.01 C ATOM 586 OG SER A 38 -14.690 -1.197 3.930 1.00 0.02 O ATOM 0 H SER A 38 -14.985 2.558 2.271 1.00 0.02 H new ATOM 0 HA SER A 38 -13.007 1.038 3.849 1.00 0.02 H new ATOM 0 HB2 SER A 38 -14.812 0.414 5.219 1.00 0.01 H new ATOM 0 HB3 SER A 38 -15.963 0.431 3.898 1.00 0.01 H new ATOM 0 HG SER A 38 -13.818 -1.442 4.305 1.00 0.02 H new ATOM 592 N ILE A 39 -12.925 -0.571 1.799 1.00 0.02 N ATOM 593 CA ILE A 39 -12.706 -1.186 0.454 1.00 0.02 C ATOM 594 C ILE A 39 -12.380 -2.675 0.588 1.00 0.02 C ATOM 595 O ILE A 39 -11.714 -3.112 1.507 1.00 0.02 O ATOM 596 CB ILE A 39 -11.521 -0.486 -0.220 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.688 1.033 -0.099 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.462 -0.877 -1.697 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.611 1.746 -0.921 1.00 0.00 C ATOM 0 H ILE A 39 -12.358 -0.959 2.553 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.614 -1.072 -0.138 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.596 -0.791 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.678 1.327 -0.448 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.617 1.333 0.947 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.618 -0.377 -2.172 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.339 -1.957 -1.783 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.386 -0.576 -2.190 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.738 2.825 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.625 1.464 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.702 1.458 -1.968 1.00 0.00 H new ATOM 611 N ARG A 40 -12.815 -3.447 -0.378 1.00 0.02 N ATOM 612 CA ARG A 40 -12.514 -4.910 -0.396 1.00 0.02 C ATOM 613 C ARG A 40 -11.819 -5.237 -1.717 1.00 0.01 C ATOM 614 O ARG A 40 -12.359 -4.992 -2.777 1.00 0.02 O ATOM 615 CB ARG A 40 -13.796 -5.739 -0.291 1.00 0.01 C ATOM 616 CG ARG A 40 -13.432 -7.220 -0.161 1.00 0.02 C ATOM 617 CD ARG A 40 -14.707 -8.052 -0.006 1.00 0.02 C ATOM 618 NE ARG A 40 -15.559 -7.463 1.066 1.00 0.02 N ATOM 619 CZ ARG A 40 -16.813 -7.814 1.166 1.00 0.02 C ATOM 620 NH1 ARG A 40 -17.315 -8.680 0.331 1.00 0.02 N ATOM 621 NH2 ARG A 40 -17.560 -7.298 2.102 1.00 0.02 N ATOM 0 H ARG A 40 -13.374 -3.119 -1.166 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.879 -5.153 0.456 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.380 -5.419 0.572 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.418 -5.582 -1.172 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -12.877 -7.547 -1.041 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.781 -7.370 0.700 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.255 -8.076 -0.948 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -14.453 -9.083 0.242 1.00 0.02 H new ATOM 0 HE ARG A 40 -15.164 -6.787 1.720 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.729 -9.083 -0.400 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -18.294 -8.955 0.408 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -17.165 -6.621 2.755 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -18.540 -7.571 2.181 1.00 0.02 H new ATOM 635 N VAL A 41 -10.657 -5.833 -1.668 1.00 0.02 N ATOM 636 CA VAL A 41 -9.957 -6.235 -2.927 1.00 0.01 C ATOM 637 C VAL A 41 -10.075 -7.753 -3.032 1.00 0.02 C ATOM 638 O VAL A 41 -9.575 -8.478 -2.195 1.00 0.02 O ATOM 639 CB VAL A 41 -8.492 -5.805 -2.875 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.816 -6.138 -4.208 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.424 -4.293 -2.649 1.00 0.00 C ATOM 0 H VAL A 41 -10.159 -6.060 -0.807 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.403 -5.755 -3.798 1.00 0.01 H new ATOM 0 HB VAL A 41 -7.985 -6.329 -2.064 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.771 -5.832 -4.172 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.874 -7.212 -4.387 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.322 -5.608 -5.015 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.381 -3.977 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.929 -3.780 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.914 -4.043 -1.708 1.00 0.00 H new ATOM 651 N GLU A 42 -10.766 -8.234 -4.030 1.00 0.01 N ATOM 652 CA GLU A 42 -10.960 -9.707 -4.169 1.00 0.01 C ATOM 653 C GLU A 42 -9.766 -10.346 -4.875 1.00 0.02 C ATOM 654 O GLU A 42 -9.402 -11.468 -4.586 1.00 0.01 O ATOM 655 CB GLU A 42 -12.236 -9.981 -4.967 1.00 0.99 C ATOM 656 CG GLU A 42 -12.636 -11.449 -4.807 1.00 1.86 C ATOM 657 CD GLU A 42 -13.963 -11.697 -5.526 1.00 3.10 C ATOM 658 OE1 GLU A 42 -13.944 -11.803 -6.741 1.00 3.81 O ATOM 659 OE2 GLU A 42 -14.973 -11.779 -4.849 1.00 3.67 O ATOM 0 H GLU A 42 -11.206 -7.669 -4.757 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.047 -10.142 -3.174 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.041 -9.334 -4.618 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.075 -9.750 -6.020 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.861 -12.095 -5.219 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -12.731 -11.698 -3.750 1.00 1.86 H new ATOM 666 N GLY A 43 -9.150 -9.663 -5.798 1.00 0.01 N ATOM 667 CA GLY A 43 -7.990 -10.283 -6.496 1.00 0.02 C ATOM 668 C GLY A 43 -7.169 -9.224 -7.230 1.00 0.02 C ATOM 669 O GLY A 43 -7.682 -8.205 -7.647 1.00 0.02 O ATOM 0 H GLY A 43 -9.393 -8.718 -6.096 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.360 -10.802 -5.773 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.344 -11.031 -7.205 1.00 0.02 H new ATOM 673 N GLY A 44 -5.899 -9.465 -7.407 1.00 0.00 N ATOM 674 CA GLY A 44 -5.055 -8.474 -8.136 1.00 0.01 C ATOM 675 C GLY A 44 -4.591 -7.366 -7.188 1.00 0.01 C ATOM 676 O GLY A 44 -5.030 -7.273 -6.058 1.00 0.01 O ATOM 0 H GLY A 44 -5.411 -10.299 -7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.190 -8.974 -8.571 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.622 -8.042 -8.961 1.00 0.01 H new ATOM 680 N THR A 45 -3.731 -6.506 -7.668 1.00 0.01 N ATOM 681 CA THR A 45 -3.242 -5.355 -6.841 1.00 0.00 C ATOM 682 C THR A 45 -3.628 -4.061 -7.558 1.00 0.01 C ATOM 683 O THR A 45 -3.528 -3.972 -8.766 1.00 0.01 O ATOM 684 CB THR A 45 -1.718 -5.434 -6.709 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.371 -6.569 -5.926 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.193 -4.167 -6.033 1.00 1.48 C ATOM 0 H THR A 45 -3.340 -6.550 -8.609 1.00 0.01 H new ATOM 0 HA THR A 45 -3.685 -5.384 -5.846 1.00 0.00 H new ATOM 0 HB THR A 45 -1.273 -5.524 -7.700 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.396 -6.623 -5.842 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.109 -4.227 -5.941 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.459 -3.297 -6.634 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.637 -4.073 -5.042 1.00 1.48 H new ATOM 694 N TRP A 46 -4.143 -3.078 -6.849 1.00 0.02 N ATOM 695 CA TRP A 46 -4.606 -1.821 -7.529 1.00 0.01 C ATOM 696 C TRP A 46 -3.975 -0.567 -6.921 1.00 0.01 C ATOM 697 O TRP A 46 -3.616 -0.512 -5.763 1.00 0.01 O ATOM 698 CB TRP A 46 -6.125 -1.719 -7.389 1.00 0.00 C ATOM 699 CG TRP A 46 -6.763 -2.911 -8.026 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.653 -4.184 -7.582 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.607 -2.963 -9.213 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.378 -5.014 -8.418 1.00 0.00 N ATOM 703 CE2 TRP A 46 -7.985 -4.308 -9.438 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.080 -1.983 -10.104 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.799 -4.669 -10.513 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -8.899 -2.343 -11.187 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.259 -3.682 -11.389 1.00 0.01 C ATOM 0 H TRP A 46 -4.262 -3.092 -5.836 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.303 -1.876 -8.575 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.401 -1.664 -6.336 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.484 -0.805 -7.861 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.091 -4.501 -6.716 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.455 -6.024 -8.296 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.812 -0.948 -9.955 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.071 -5.703 -10.667 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.253 -1.583 -11.868 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.892 -3.951 -12.222 1.00 0.01 H new ATOM 718 N ALA A 47 -3.910 0.463 -7.722 1.00 0.01 N ATOM 719 CA ALA A 47 -3.387 1.784 -7.267 1.00 0.01 C ATOM 720 C ALA A 47 -4.601 2.706 -7.211 1.00 0.01 C ATOM 721 O ALA A 47 -5.393 2.752 -8.132 1.00 0.01 O ATOM 722 CB ALA A 47 -2.357 2.317 -8.266 1.00 0.24 C ATOM 0 H ALA A 47 -4.206 0.442 -8.698 1.00 0.01 H new ATOM 0 HA ALA A 47 -2.890 1.713 -6.300 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -1.983 3.282 -7.923 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.528 1.613 -8.345 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.826 2.436 -9.243 1.00 0.24 H new ATOM 728 N VAL A 48 -4.739 3.458 -6.147 1.00 0.01 N ATOM 729 CA VAL A 48 -5.889 4.409 -6.025 1.00 0.02 C ATOM 730 C VAL A 48 -5.350 5.836 -5.907 1.00 0.01 C ATOM 731 O VAL A 48 -4.321 6.062 -5.299 1.00 0.01 O ATOM 732 CB VAL A 48 -6.726 4.057 -4.793 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.345 2.667 -4.974 1.00 0.48 C ATOM 734 CG2 VAL A 48 -5.831 4.057 -3.550 1.00 0.65 C ATOM 0 H VAL A 48 -4.100 3.454 -5.352 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.522 4.334 -6.909 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.519 4.795 -4.671 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -7.941 2.417 -4.096 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -7.983 2.665 -5.858 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.552 1.929 -5.097 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.427 3.806 -2.672 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.038 3.319 -3.673 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.390 5.045 -3.419 1.00 0.65 H new ATOM 744 N TYR A 49 -6.027 6.794 -6.496 1.00 0.01 N ATOM 745 CA TYR A 49 -5.548 8.216 -6.438 1.00 0.01 C ATOM 746 C TYR A 49 -6.616 9.103 -5.798 1.00 0.01 C ATOM 747 O TYR A 49 -7.805 8.876 -5.912 1.00 0.02 O ATOM 748 CB TYR A 49 -5.255 8.705 -7.857 1.00 0.01 C ATOM 749 CG TYR A 49 -4.197 7.822 -8.480 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.525 6.524 -8.888 1.00 0.01 C ATOM 751 CD2 TYR A 49 -2.892 8.301 -8.652 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.548 5.705 -9.468 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.916 7.481 -9.232 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.245 6.183 -9.639 1.00 0.02 C ATOM 755 OH TYR A 49 -1.284 5.374 -10.213 1.00 0.01 O ATOM 0 H TYR A 49 -6.893 6.653 -7.016 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.641 8.268 -5.836 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.164 8.682 -8.457 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -4.914 9.740 -7.834 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.531 6.154 -8.756 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.638 9.303 -8.337 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.801 4.704 -9.783 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -0.910 7.850 -9.365 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.394 5.677 -9.937 1.00 0.01 H new ATOM 765 N GLU A 50 -6.165 10.100 -5.082 1.00 0.01 N ATOM 766 CA GLU A 50 -7.091 11.017 -4.363 1.00 0.01 C ATOM 767 C GLU A 50 -7.933 11.835 -5.344 1.00 0.01 C ATOM 768 O GLU A 50 -9.074 12.140 -5.063 1.00 0.02 O ATOM 769 CB GLU A 50 -6.257 11.969 -3.503 1.00 0.02 C ATOM 770 CG GLU A 50 -7.173 12.986 -2.824 1.00 0.01 C ATOM 771 CD GLU A 50 -6.399 13.711 -1.722 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.263 13.145 -0.650 1.00 0.01 O ATOM 773 OE2 GLU A 50 -5.954 14.821 -1.969 1.00 0.02 O ATOM 0 H GLU A 50 -5.176 10.319 -4.965 1.00 0.01 H new ATOM 0 HA GLU A 50 -7.767 10.424 -3.747 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.703 11.405 -2.752 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -5.522 12.484 -4.122 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -7.543 13.704 -3.556 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.043 12.483 -2.402 1.00 0.01 H new ATOM 780 N ARG A 51 -7.387 12.219 -6.480 1.00 0.02 N ATOM 781 CA ARG A 51 -8.175 13.051 -7.452 1.00 0.02 C ATOM 782 C ARG A 51 -8.182 12.361 -8.834 1.00 0.01 C ATOM 783 O ARG A 51 -7.314 11.559 -9.135 1.00 0.02 O ATOM 784 CB ARG A 51 -7.493 14.436 -7.556 1.00 0.02 C ATOM 785 CG ARG A 51 -8.159 15.431 -6.597 1.00 0.01 C ATOM 786 CD ARG A 51 -7.394 16.756 -6.625 1.00 0.02 C ATOM 787 NE ARG A 51 -7.680 17.464 -7.905 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.382 18.729 -8.031 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.834 19.373 -7.038 1.00 0.02 N ATOM 790 NH2 ARG A 51 -7.632 19.349 -9.152 1.00 0.01 N ATOM 0 H ARG A 51 -6.437 11.994 -6.774 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.205 13.164 -7.114 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.433 14.346 -7.319 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.560 14.806 -8.579 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.197 15.592 -6.886 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.169 15.026 -5.585 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -7.689 17.377 -5.779 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -6.324 16.573 -6.529 1.00 0.02 H new ATOM 0 HE ARG A 51 -8.108 16.961 -8.682 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.638 18.888 -6.162 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -6.602 20.361 -7.137 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -8.060 18.845 -9.929 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -7.399 20.337 -9.251 1.00 0.01 H new ATOM 804 N PRO A 52 -9.159 12.676 -9.673 1.00 0.02 N ATOM 805 CA PRO A 52 -9.258 12.059 -11.030 1.00 0.02 C ATOM 806 C PRO A 52 -7.969 12.203 -11.848 1.00 0.01 C ATOM 807 O PRO A 52 -7.084 12.974 -11.536 1.00 0.02 O ATOM 808 CB PRO A 52 -10.429 12.836 -11.675 1.00 0.02 C ATOM 809 CG PRO A 52 -10.882 13.936 -10.696 1.00 0.01 C ATOM 810 CD PRO A 52 -10.232 13.660 -9.333 1.00 0.01 C ATOM 0 HA PRO A 52 -9.418 10.982 -10.985 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.116 13.277 -12.622 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.256 12.161 -11.896 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.588 14.919 -11.065 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -11.968 13.941 -10.605 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -9.823 14.567 -8.888 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -10.946 13.249 -8.619 1.00 0.01 H new ATOM 818 N ASN A 53 -7.913 11.466 -12.923 1.00 0.02 N ATOM 819 CA ASN A 53 -6.746 11.527 -13.842 1.00 0.02 C ATOM 820 C ASN A 53 -5.470 11.056 -13.146 1.00 0.01 C ATOM 821 O ASN A 53 -4.390 11.556 -13.386 1.00 0.01 O ATOM 822 CB ASN A 53 -6.575 12.964 -14.341 1.00 0.01 C ATOM 823 CG ASN A 53 -7.949 13.566 -14.640 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.673 13.066 -15.478 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.340 14.624 -13.985 1.00 0.01 N ATOM 0 H ASN A 53 -8.642 10.812 -13.207 1.00 0.02 H new ATOM 0 HA ASN A 53 -6.929 10.862 -14.686 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -6.059 13.562 -13.590 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -5.957 12.978 -15.239 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.255 15.033 -14.176 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.731 15.042 -13.282 1.00 0.01 H new ATOM 832 N PHE A 54 -5.597 10.071 -12.298 1.00 0.02 N ATOM 833 CA PHE A 54 -4.412 9.516 -11.588 1.00 0.01 C ATOM 834 C PHE A 54 -3.527 10.644 -11.054 1.00 0.01 C ATOM 835 O PHE A 54 -2.335 10.681 -11.283 1.00 0.02 O ATOM 836 CB PHE A 54 -3.617 8.628 -12.559 1.00 1.78 C ATOM 837 CG PHE A 54 -4.570 7.945 -13.517 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.702 7.284 -13.025 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.324 7.977 -14.897 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.586 6.657 -13.911 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.209 7.349 -15.781 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.341 6.688 -15.288 1.00 3.39 C ATOM 0 H PHE A 54 -6.483 9.623 -12.065 1.00 0.02 H new ATOM 0 HA PHE A 54 -4.747 8.921 -10.739 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -2.898 9.231 -13.113 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.047 7.883 -12.003 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -5.893 7.258 -11.962 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.451 8.486 -15.278 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.459 6.148 -13.531 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.019 7.374 -16.844 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.024 6.203 -15.970 1.00 3.39 H new ATOM 852 N SER A 55 -4.127 11.567 -10.337 1.00 0.02 N ATOM 853 CA SER A 55 -3.360 12.720 -9.761 1.00 0.02 C ATOM 854 C SER A 55 -3.609 12.807 -8.253 1.00 0.01 C ATOM 855 O SER A 55 -4.532 12.210 -7.731 1.00 0.01 O ATOM 856 CB SER A 55 -3.827 14.015 -10.427 1.00 1.90 C ATOM 857 OG SER A 55 -3.235 15.125 -9.763 1.00 2.33 O ATOM 0 H SER A 55 -5.125 11.570 -10.125 1.00 0.02 H new ATOM 0 HA SER A 55 -2.295 12.573 -9.941 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.549 14.016 -11.481 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.914 14.088 -10.384 1.00 1.90 H new ATOM 0 HG SER A 55 -3.531 15.957 -10.189 1.00 2.33 H new ATOM 863 N GLY A 56 -2.783 13.534 -7.545 1.00 0.02 N ATOM 864 CA GLY A 56 -2.954 13.652 -6.065 1.00 0.02 C ATOM 865 C GLY A 56 -2.212 12.507 -5.365 1.00 0.02 C ATOM 866 O GLY A 56 -1.332 11.891 -5.933 1.00 0.00 O ATOM 0 H GLY A 56 -1.994 14.053 -7.930 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.569 14.612 -5.720 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.013 13.622 -5.808 1.00 0.02 H new ATOM 870 N HIS A 57 -2.540 12.230 -4.132 1.00 0.02 N ATOM 871 CA HIS A 57 -1.834 11.139 -3.395 1.00 0.02 C ATOM 872 C HIS A 57 -2.159 9.779 -4.018 1.00 0.01 C ATOM 873 O HIS A 57 -3.280 9.521 -4.405 1.00 0.01 O ATOM 874 CB HIS A 57 -2.275 11.154 -1.930 1.00 0.00 C ATOM 875 CG HIS A 57 -1.706 12.366 -1.247 1.00 0.01 C ATOM 876 ND1 HIS A 57 -1.425 13.536 -1.934 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.364 12.607 0.061 1.00 0.01 C ATOM 878 CE1 HIS A 57 -0.937 14.420 -1.045 1.00 0.02 C ATOM 879 NE2 HIS A 57 -0.879 13.905 0.186 1.00 0.01 N ATOM 0 H HIS A 57 -3.266 12.711 -3.602 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.758 11.303 -3.458 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.363 11.165 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.936 10.248 -1.428 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.457 11.897 0.869 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -0.629 15.424 -1.296 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -0.550 14.364 1.035 1.00 0.01 H new ATOM 887 N MET A 58 -1.177 8.907 -4.112 1.00 0.02 N ATOM 888 CA MET A 58 -1.404 7.547 -4.705 1.00 0.02 C ATOM 889 C MET A 58 -1.104 6.466 -3.658 1.00 0.01 C ATOM 890 O MET A 58 -0.142 6.549 -2.922 1.00 0.01 O ATOM 891 CB MET A 58 -0.465 7.361 -5.902 1.00 2.61 C ATOM 892 CG MET A 58 -0.596 5.937 -6.447 1.00 3.46 C ATOM 893 SD MET A 58 0.257 5.820 -8.038 1.00 4.50 S ATOM 894 CE MET A 58 1.915 6.225 -7.433 1.00 5.01 C ATOM 0 H MET A 58 -0.222 9.082 -3.801 1.00 0.02 H new ATOM 0 HA MET A 58 -2.442 7.460 -5.026 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.708 8.083 -6.682 1.00 2.61 H new ATOM 0 HB3 MET A 58 0.565 7.552 -5.601 1.00 2.61 H new ATOM 0 HG2 MET A 58 -0.170 5.225 -5.740 1.00 3.46 H new ATOM 0 HG3 MET A 58 -1.648 5.677 -6.566 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.652 5.617 -7.958 1.00 5.01 H new ATOM 0 HE2 MET A 58 2.120 7.280 -7.613 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.972 6.021 -6.364 1.00 5.01 H new ATOM 904 N TYR A 59 -1.930 5.449 -3.594 1.00 0.02 N ATOM 905 CA TYR A 59 -1.721 4.341 -2.604 1.00 0.01 C ATOM 906 C TYR A 59 -1.886 2.985 -3.303 1.00 0.01 C ATOM 907 O TYR A 59 -2.789 2.781 -4.091 1.00 0.02 O ATOM 908 CB TYR A 59 -2.761 4.446 -1.489 1.00 0.01 C ATOM 909 CG TYR A 59 -2.704 5.822 -0.868 1.00 0.01 C ATOM 910 CD1 TYR A 59 -3.390 6.886 -1.463 1.00 0.01 C ATOM 911 CD2 TYR A 59 -1.970 6.031 0.307 1.00 0.01 C ATOM 912 CE1 TYR A 59 -3.345 8.158 -0.885 1.00 0.01 C ATOM 913 CE2 TYR A 59 -1.925 7.306 0.885 1.00 0.02 C ATOM 914 CZ TYR A 59 -2.612 8.369 0.289 1.00 0.01 C ATOM 915 OH TYR A 59 -2.568 9.624 0.858 1.00 0.01 O ATOM 0 H TYR A 59 -2.749 5.337 -4.191 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.718 4.424 -2.187 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.757 4.258 -1.889 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.573 3.686 -0.731 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -3.955 6.725 -2.369 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -1.440 5.210 0.766 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -3.876 8.979 -1.344 1.00 0.01 H new ATOM 0 HE2 TYR A 59 -1.360 7.469 1.791 1.00 0.02 H new ATOM 0 HH TYR A 59 -2.017 9.597 1.668 1.00 0.01 H new ATOM 925 N ILE A 60 -1.012 2.056 -3.004 1.00 0.02 N ATOM 926 CA ILE A 60 -1.088 0.695 -3.621 1.00 0.01 C ATOM 927 C ILE A 60 -1.861 -0.236 -2.678 1.00 0.01 C ATOM 928 O ILE A 60 -1.602 -0.272 -1.491 1.00 0.01 O ATOM 929 CB ILE A 60 0.328 0.150 -3.824 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.218 1.235 -4.443 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.281 -1.066 -4.750 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.545 1.826 -5.684 1.00 1.72 C ATOM 0 H ILE A 60 -0.239 2.184 -2.350 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.596 0.752 -4.584 1.00 0.01 H new ATOM 0 HB ILE A 60 0.741 -0.145 -2.859 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.406 2.022 -3.713 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.186 0.812 -4.712 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.290 -1.453 -4.894 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.344 -1.839 -4.304 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.136 -0.774 -5.714 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.186 2.595 -6.114 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.380 1.038 -6.419 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.412 2.267 -5.404 1.00 1.72 H new ATOM 944 N LEU A 61 -2.828 -0.962 -3.191 1.00 0.01 N ATOM 945 CA LEU A 61 -3.653 -1.869 -2.319 1.00 0.01 C ATOM 946 C LEU A 61 -3.511 -3.348 -2.774 1.00 0.01 C ATOM 947 O LEU A 61 -4.025 -3.715 -3.814 1.00 0.00 O ATOM 948 CB LEU A 61 -5.143 -1.433 -2.454 1.00 0.01 C ATOM 949 CG LEU A 61 -5.681 -0.879 -1.122 1.00 0.02 C ATOM 950 CD1 LEU A 61 -6.991 -0.132 -1.372 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.943 -2.036 -0.153 1.00 0.01 C ATOM 0 H LEU A 61 -3.084 -0.967 -4.178 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.312 -1.795 -1.286 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.234 -0.674 -3.231 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.747 -2.284 -2.768 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.945 -0.199 -0.692 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.372 0.260 -0.429 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.814 0.692 -2.063 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.723 -0.815 -1.803 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.324 -1.642 0.789 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.678 -2.714 -0.586 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -5.014 -2.576 0.028 1.00 0.01 H new ATOM 963 N PRO A 62 -2.862 -4.215 -2.006 1.00 0.02 N ATOM 964 CA PRO A 62 -2.769 -5.649 -2.404 1.00 0.01 C ATOM 965 C PRO A 62 -4.093 -6.368 -2.099 1.00 0.00 C ATOM 966 O PRO A 62 -4.951 -5.833 -1.425 1.00 0.02 O ATOM 967 CB PRO A 62 -1.623 -6.162 -1.517 1.00 1.47 C ATOM 968 CG PRO A 62 -1.437 -5.160 -0.361 1.00 1.29 C ATOM 969 CD PRO A 62 -2.175 -3.857 -0.728 1.00 0.82 C ATOM 0 HA PRO A 62 -2.587 -5.812 -3.466 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.855 -7.154 -1.129 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.704 -6.253 -2.095 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.833 -5.573 0.567 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.378 -4.963 -0.196 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.885 -3.563 0.045 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.484 -3.024 -0.859 1.00 0.82 H new ATOM 977 N GLN A 63 -4.278 -7.564 -2.589 1.00 0.02 N ATOM 978 CA GLN A 63 -5.555 -8.291 -2.322 1.00 0.00 C ATOM 979 C GLN A 63 -5.835 -8.341 -0.816 1.00 0.00 C ATOM 980 O GLN A 63 -4.933 -8.509 -0.020 1.00 0.02 O ATOM 981 CB GLN A 63 -5.438 -9.719 -2.861 1.00 1.27 C ATOM 982 CG GLN A 63 -4.160 -10.363 -2.321 1.00 1.67 C ATOM 983 CD GLN A 63 -4.040 -11.790 -2.860 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.021 -12.388 -3.254 1.00 4.25 O ATOM 985 NE2 GLN A 63 -2.868 -12.364 -2.892 1.00 3.04 N ATOM 0 H GLN A 63 -3.602 -8.069 -3.162 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.374 -7.768 -2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.308 -10.305 -2.562 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.420 -9.708 -3.951 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.291 -9.776 -2.619 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.179 -10.375 -1.231 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -2.045 -11.861 -2.561 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -2.776 -13.315 -3.248 1.00 3.04 H new ATOM 994 N GLY A 64 -7.075 -8.205 -0.412 1.00 0.02 N ATOM 995 CA GLY A 64 -7.385 -8.258 1.049 1.00 0.01 C ATOM 996 C GLY A 64 -8.671 -7.481 1.363 1.00 0.02 C ATOM 997 O GLY A 64 -9.332 -6.954 0.490 1.00 0.02 O ATOM 0 H GLY A 64 -7.878 -8.061 -1.025 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.496 -9.296 1.364 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.554 -7.839 1.617 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.029 -7.418 2.623 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.271 -6.689 3.044 1.00 0.02 C ATOM 1003 C GLU A 65 -9.903 -5.555 4.005 1.00 0.02 C ATOM 1004 O GLU A 65 -9.174 -5.744 4.959 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.197 -7.673 3.766 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.575 -7.037 3.951 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.375 -7.843 4.978 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -12.993 -7.828 6.138 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -14.353 -8.458 4.589 1.00 0.71 O ATOM 0 H GLU A 65 -8.508 -7.846 3.388 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.768 -6.274 2.167 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.285 -8.595 3.191 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.776 -7.941 4.735 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.469 -6.005 4.285 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.106 -7.011 3.000 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.425 -4.376 3.756 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.148 -3.203 4.639 1.00 0.02 C ATOM 1018 C TYR A 66 -11.497 -2.673 5.165 1.00 0.02 C ATOM 1019 O TYR A 66 -12.162 -1.919 4.479 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.466 -2.123 3.797 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.167 -2.678 3.262 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.173 -3.511 2.137 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -6.957 -2.368 3.897 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -6.971 -4.036 1.647 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.756 -2.893 3.408 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.762 -3.726 2.282 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.578 -4.244 1.799 1.00 0.01 O ATOM 0 H TYR A 66 -11.039 -4.177 2.967 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.506 -3.480 5.475 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.114 -1.818 2.975 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.278 -1.235 4.401 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.105 -3.749 1.647 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -6.952 -1.724 4.764 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -6.976 -4.680 0.780 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.824 -2.656 3.899 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.833 -3.930 2.353 1.00 0.01 H new ATOM 1037 N PRO A 67 -11.922 -3.066 6.353 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.235 -2.598 6.889 1.00 0.02 C ATOM 1039 C PRO A 67 -13.281 -1.090 7.183 1.00 0.02 C ATOM 1040 O PRO A 67 -14.321 -0.564 7.529 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.401 -3.431 8.179 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.164 -4.342 8.339 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.155 -4.000 7.227 1.00 0.01 C ATOM 0 HA PRO A 67 -14.039 -2.737 6.166 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.502 -2.774 9.043 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.309 -4.032 8.127 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.711 -4.196 9.319 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.456 -5.390 8.276 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.256 -3.531 7.628 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.836 -4.890 6.684 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.193 -0.380 7.035 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.232 1.089 7.298 1.00 0.01 C ATOM 1053 C GLU A 68 -11.072 1.741 6.544 1.00 0.03 C ATOM 1054 O GLU A 68 -10.093 1.108 6.204 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.073 1.364 8.798 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.326 0.911 9.553 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.320 1.509 10.961 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -12.340 2.149 11.309 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -14.295 1.318 11.670 1.00 2.02 O ATOM 0 H GLU A 68 -11.287 -0.749 6.746 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.187 1.496 6.966 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.198 0.838 9.181 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.904 2.428 8.964 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.221 1.227 9.016 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.356 -0.177 9.609 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.209 3.000 6.239 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.159 3.702 5.450 1.00 0.02 C ATOM 1068 C TYR A 69 -8.801 3.700 6.163 1.00 0.01 C ATOM 1069 O TYR A 69 -7.764 3.552 5.544 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.613 5.134 5.156 1.00 0.02 C ATOM 1071 CG TYR A 69 -11.010 5.819 6.441 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.293 5.629 6.970 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -10.096 6.647 7.105 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.663 6.267 8.159 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.465 7.286 8.295 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.749 7.096 8.823 1.00 0.02 C ATOM 1077 OH TYR A 69 -12.113 7.726 9.995 1.00 0.01 O ATOM 0 H TYR A 69 -12.008 3.577 6.504 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.023 3.162 4.513 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -9.809 5.688 4.671 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.455 5.123 4.464 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.998 4.989 6.459 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -9.106 6.793 6.699 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.653 6.121 8.565 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.760 7.925 8.806 1.00 0.02 H new ATOM 0 HH TYR A 69 -12.772 7.178 10.470 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.796 3.871 7.459 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.509 3.880 8.214 1.00 0.02 C ATOM 1089 C GLN A 70 -6.779 2.542 8.041 1.00 0.01 C ATOM 1090 O GLN A 70 -5.575 2.453 8.181 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.803 4.099 9.699 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.732 5.302 9.864 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.864 5.647 11.348 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -8.447 4.888 12.199 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -9.432 6.770 11.695 1.00 0.02 N ATOM 0 H GLN A 70 -9.631 4.005 8.029 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.878 4.682 7.830 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.265 3.208 10.124 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.874 4.266 10.244 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.338 6.157 9.315 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.712 5.078 9.444 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -9.782 7.407 10.979 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.526 7.010 12.682 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.511 1.502 7.733 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.873 0.167 7.542 1.00 0.02 C ATOM 1106 C ARG A 71 -6.034 0.195 6.264 1.00 0.01 C ATOM 1107 O ARG A 71 -5.164 -0.626 6.052 1.00 0.02 O ATOM 1108 CB ARG A 71 -7.955 -0.910 7.424 1.00 0.34 C ATOM 1109 CG ARG A 71 -8.827 -0.925 8.690 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.142 -1.737 9.798 1.00 1.04 C ATOM 1111 NE ARG A 71 -9.064 -1.866 10.961 1.00 1.67 N ATOM 1112 CZ ARG A 71 -8.827 -2.758 11.884 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.783 -3.533 11.788 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.632 -2.872 12.904 1.00 3.42 N ATOM 0 H ARG A 71 -8.523 1.521 7.606 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.236 -0.061 8.396 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.575 -0.719 6.548 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.493 -1.887 7.280 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.001 0.095 9.032 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.802 -1.356 8.463 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -7.870 -2.724 9.425 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.218 -1.246 10.105 1.00 1.04 H new ATOM 0 HE ARG A 71 -9.880 -1.258 11.036 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.152 -3.442 10.992 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.597 -4.230 12.509 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.447 -2.264 12.981 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -9.446 -3.569 13.625 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.303 1.151 5.416 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.555 1.290 4.130 1.00 0.01 C ATOM 1130 C TRP A 72 -4.648 2.522 4.252 1.00 0.01 C ATOM 1131 O TRP A 72 -4.066 2.990 3.294 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.603 1.435 3.001 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.117 2.298 1.878 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.061 2.024 1.078 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.666 3.564 1.413 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -4.927 3.045 0.152 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -5.894 4.017 0.319 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.750 4.356 1.833 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.188 5.214 -0.336 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.048 5.560 1.176 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.268 5.988 0.094 1.00 0.02 C ATOM 0 H TRP A 72 -7.025 1.857 5.563 1.00 0.02 H new ATOM 0 HA TRP A 72 -4.926 0.429 3.904 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.855 0.448 2.614 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.519 1.860 3.412 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.427 1.153 1.150 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.203 3.075 -0.566 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.357 4.035 2.667 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.584 5.540 -1.170 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -8.883 6.160 1.506 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.502 6.916 -0.407 1.00 0.02 H new ATOM 1152 N MET A 73 -4.528 3.039 5.444 1.00 0.02 N ATOM 1153 CA MET A 73 -3.668 4.236 5.679 1.00 0.02 C ATOM 1154 C MET A 73 -4.170 5.430 4.856 1.00 0.01 C ATOM 1155 O MET A 73 -3.438 6.357 4.572 1.00 0.02 O ATOM 1156 CB MET A 73 -2.220 3.918 5.291 1.00 0.02 C ATOM 1157 CG MET A 73 -1.825 2.548 5.848 1.00 0.01 C ATOM 1158 SD MET A 73 -2.111 2.518 7.636 1.00 0.01 S ATOM 1159 CE MET A 73 -1.365 0.902 7.959 1.00 0.01 C ATOM 0 H MET A 73 -4.995 2.679 6.276 1.00 0.02 H new ATOM 0 HA MET A 73 -3.714 4.495 6.737 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.114 3.924 4.206 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.552 4.686 5.681 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.407 1.765 5.363 1.00 0.01 H new ATOM 0 HG3 MET A 73 -0.776 2.345 5.633 1.00 0.01 H new ATOM 0 HE1 MET A 73 -1.432 0.676 9.023 1.00 0.01 H new ATOM 0 HE2 MET A 73 -1.895 0.137 7.392 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.318 0.918 7.657 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.419 5.404 4.471 1.00 0.02 N ATOM 1170 CA GLY A 74 -5.971 6.528 3.664 1.00 0.02 C ATOM 1171 C GLY A 74 -5.823 7.832 4.446 1.00 0.01 C ATOM 1172 O GLY A 74 -5.998 7.864 5.648 1.00 0.01 O ATOM 0 H GLY A 74 -6.078 4.654 4.681 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.445 6.600 2.712 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.021 6.345 3.435 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.546 8.919 3.776 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.442 10.221 4.495 1.00 0.02 C ATOM 1178 C LEU A 75 -6.871 10.720 4.753 1.00 0.01 C ATOM 1179 O LEU A 75 -7.151 11.361 5.747 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.669 11.229 3.635 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.401 12.520 4.435 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.170 12.346 5.336 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -4.145 13.680 3.467 1.00 0.42 C ATOM 0 H LEU A 75 -5.388 8.962 2.769 1.00 0.02 H new ATOM 0 HA LEU A 75 -4.907 10.104 5.437 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -3.725 10.792 3.310 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.239 11.462 2.735 1.00 0.55 H new ATOM 0 HG LEU A 75 -5.273 12.732 5.053 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -2.994 13.266 5.894 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.342 11.526 6.033 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.298 12.122 4.721 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -3.956 14.592 4.034 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -3.278 13.452 2.847 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -5.019 13.823 2.831 1.00 0.42 H new ATOM 1195 N ASN A 76 -7.780 10.398 3.868 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.205 10.790 4.020 1.00 0.02 C ATOM 1197 C ASN A 76 -10.012 9.812 3.164 1.00 0.02 C ATOM 1198 O ASN A 76 -9.471 8.849 2.660 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.414 12.224 3.527 1.00 0.02 C ATOM 1200 CG ASN A 76 -8.779 13.204 4.514 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -9.028 13.081 5.791 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 -8.050 14.093 4.122 1.00 0.02 N flip ATOM 0 H ASN A 76 -7.582 9.863 3.022 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.518 10.754 5.063 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -8.970 12.348 2.539 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -10.479 12.433 3.426 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -7.855 14.190 3.126 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -7.633 14.742 4.789 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.292 10.021 2.997 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.101 9.064 2.175 1.00 0.01 C ATOM 1211 C ASP A 77 -12.288 9.599 0.753 1.00 0.01 C ATOM 1212 O ASP A 77 -13.278 9.307 0.109 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.478 8.889 2.820 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.318 8.237 4.195 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.269 7.665 4.439 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -14.247 8.320 4.980 1.00 0.02 O ATOM 0 H ASP A 77 -11.812 10.806 3.390 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.575 8.110 2.130 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -13.970 9.856 2.919 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.113 8.272 2.185 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.369 10.390 0.249 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.529 10.946 -1.133 1.00 0.01 C ATOM 1223 C ARG A 78 -10.750 10.106 -2.155 1.00 0.02 C ATOM 1224 O ARG A 78 -9.547 9.958 -2.067 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.028 12.391 -1.157 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.450 13.057 -2.470 1.00 0.80 C ATOM 1227 CD ARG A 78 -10.727 14.398 -2.625 1.00 1.00 C ATOM 1228 NE ARG A 78 -10.773 15.162 -1.334 1.00 1.30 N ATOM 1229 CZ ARG A 78 -11.905 15.452 -0.747 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -13.041 15.243 -1.353 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -11.895 16.007 0.435 1.00 3.20 N ATOM 0 H ARG A 78 -10.518 10.674 0.734 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.585 10.916 -1.403 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -11.436 12.942 -0.310 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -9.943 12.412 -1.059 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -11.213 12.406 -3.312 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.529 13.211 -2.480 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -9.691 14.229 -2.920 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.193 14.982 -3.419 1.00 1.00 H new ATOM 0 HE ARG A 78 -9.899 15.463 -0.903 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -13.052 14.850 -2.294 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -13.918 15.473 -0.886 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -11.008 16.212 0.895 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -12.774 16.236 0.898 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.430 9.585 -3.141 1.00 0.01 N ATOM 1246 CA LEU A 79 -10.753 8.781 -4.209 1.00 0.01 C ATOM 1247 C LEU A 79 -11.467 9.077 -5.534 1.00 0.01 C ATOM 1248 O LEU A 79 -12.669 8.936 -5.637 1.00 0.02 O ATOM 1249 CB LEU A 79 -10.848 7.286 -3.881 1.00 1.04 C ATOM 1250 CG LEU A 79 -9.800 6.910 -2.819 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.024 5.453 -2.396 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.367 7.077 -3.378 1.00 2.61 C ATOM 0 H LEU A 79 -12.439 9.682 -3.256 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.698 9.045 -4.277 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -11.848 7.048 -3.517 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.689 6.697 -4.784 1.00 1.04 H new ATOM 0 HG LEU A 79 -9.910 7.572 -1.960 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.286 5.175 -1.643 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.026 5.345 -1.980 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -9.919 4.802 -3.264 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -7.643 6.806 -2.610 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.237 6.429 -4.245 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.210 8.114 -3.674 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.751 9.543 -6.534 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.404 9.910 -7.838 1.00 0.02 C ATOM 1266 C GLY A 80 -11.060 8.933 -8.972 1.00 0.02 C ATOM 1267 O GLY A 80 -11.728 8.912 -9.985 1.00 0.01 O ATOM 0 H GLY A 80 -9.741 9.685 -6.504 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.485 9.936 -7.703 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.094 10.915 -8.124 1.00 0.02 H new ATOM 1271 N SER A 81 -10.037 8.128 -8.841 1.00 0.01 N ATOM 1272 CA SER A 81 -9.708 7.185 -9.957 1.00 0.01 C ATOM 1273 C SER A 81 -8.911 5.994 -9.427 1.00 0.02 C ATOM 1274 O SER A 81 -8.259 6.067 -8.403 1.00 0.01 O ATOM 1275 CB SER A 81 -8.886 7.922 -11.015 1.00 0.01 C ATOM 1276 OG SER A 81 -7.708 8.442 -10.414 1.00 0.01 O ATOM 0 H SER A 81 -9.424 8.080 -8.027 1.00 0.01 H new ATOM 0 HA SER A 81 -10.635 6.818 -10.399 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.625 7.244 -11.827 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.473 8.730 -11.451 1.00 0.01 H new ATOM 0 HG SER A 81 -7.866 9.367 -10.132 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.958 4.887 -10.133 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.200 3.674 -9.690 1.00 0.01 C ATOM 1284 C CYS A 82 -7.652 2.921 -10.911 1.00 0.01 C ATOM 1285 O CYS A 82 -8.263 2.900 -11.961 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.125 2.748 -8.898 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.490 2.211 -9.957 1.00 0.02 S ATOM 0 H CYS A 82 -9.489 4.773 -10.996 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.369 3.989 -9.058 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.569 1.883 -8.537 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.513 3.267 -8.021 1.00 0.01 H new ATOM 0 HG CYS A 82 -11.276 1.422 -9.286 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.507 2.295 -10.772 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.908 1.532 -11.916 1.00 0.01 C ATOM 1295 C ARG A 83 -5.332 0.207 -11.406 1.00 0.01 C ATOM 1296 O ARG A 83 -4.787 0.128 -10.322 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.755 2.335 -12.524 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.306 3.556 -13.265 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.184 4.200 -14.083 1.00 0.01 C ATOM 1300 NE ARG A 83 -2.906 4.119 -13.322 1.00 0.01 N ATOM 1301 CZ ARG A 83 -1.772 4.326 -13.932 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -1.758 4.607 -15.206 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -0.651 4.253 -13.267 1.00 0.01 N ATOM 0 H ARG A 83 -5.959 2.279 -9.912 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.685 1.353 -12.659 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.069 2.654 -11.740 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.186 1.708 -13.210 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.125 3.259 -13.920 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.712 4.275 -12.553 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.081 3.693 -15.042 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -4.427 5.241 -14.297 1.00 0.01 H new ATOM 0 HE ARG A 83 -2.918 3.902 -12.325 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.634 4.665 -15.725 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -0.871 4.769 -15.683 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -0.662 4.034 -12.271 1.00 0.01 H new ATOM 0 HH22 ARG A 83 0.236 4.415 -13.744 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.450 -0.837 -12.183 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.913 -2.159 -11.754 1.00 0.01 C ATOM 1319 C ALA A 84 -3.397 -2.202 -11.978 1.00 0.01 C ATOM 1320 O ALA A 84 -2.899 -1.861 -13.032 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.574 -3.266 -12.579 1.00 0.43 C ATOM 0 H ALA A 84 -5.897 -0.830 -13.100 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.127 -2.307 -10.695 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.183 -4.235 -12.267 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.652 -3.242 -12.422 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.358 -3.110 -13.636 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.667 -2.647 -10.987 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.182 -2.753 -11.118 1.00 0.01 C ATOM 1329 C VAL A 85 -0.829 -4.151 -11.634 1.00 0.01 C ATOM 1330 O VAL A 85 -1.217 -5.144 -11.053 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.522 -2.528 -9.754 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.990 -2.382 -9.935 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.082 -1.252 -9.120 1.00 1.12 C ATOM 0 H VAL A 85 -3.039 -2.944 -10.085 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.821 -1.997 -11.815 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.731 -3.380 -9.107 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.459 -2.222 -8.964 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.392 -3.289 -10.387 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.198 -1.531 -10.583 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.613 -1.092 -8.149 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.873 -0.401 -9.769 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.159 -1.353 -8.990 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.098 -4.249 -12.714 1.00 0.01 N ATOM 1344 CA HIS A 86 0.270 -5.595 -13.247 1.00 0.01 C ATOM 1345 C HIS A 86 1.639 -5.999 -12.698 1.00 0.01 C ATOM 1346 O HIS A 86 2.583 -5.235 -12.730 1.00 0.00 O ATOM 1347 CB HIS A 86 0.342 -5.532 -14.775 1.00 0.21 C ATOM 1348 CG HIS A 86 -0.964 -5.021 -15.318 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.937 -5.869 -15.823 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -1.473 -3.752 -15.440 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.973 -5.106 -16.220 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -2.741 -3.808 -16.010 1.00 1.71 N ATOM 0 H HIS A 86 0.259 -3.457 -13.249 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.480 -6.326 -12.943 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.157 -4.878 -15.085 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.555 -6.521 -15.181 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -0.966 -2.847 -15.139 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -3.881 -5.496 -16.655 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.360 -3.026 -16.222 1.00 1.71 H new ATOM 1360 N LEU A 87 1.753 -7.199 -12.192 1.00 0.01 N ATOM 1361 CA LEU A 87 3.057 -7.670 -11.633 1.00 0.01 C ATOM 1362 C LEU A 87 3.791 -8.477 -12.704 1.00 0.01 C ATOM 1363 O LEU A 87 3.194 -9.257 -13.418 1.00 0.01 O ATOM 1364 CB LEU A 87 2.779 -8.564 -10.416 1.00 0.67 C ATOM 1365 CG LEU A 87 1.613 -7.988 -9.608 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.429 -8.808 -8.329 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.913 -6.533 -9.242 1.00 1.34 C ATOM 0 H LEU A 87 0.994 -7.878 -12.141 1.00 0.01 H new ATOM 0 HA LEU A 87 3.670 -6.820 -11.332 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.542 -9.577 -10.743 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.669 -8.631 -9.791 1.00 0.67 H new ATOM 0 HG LEU A 87 0.701 -8.030 -10.204 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.599 -8.400 -7.752 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.215 -9.845 -8.589 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.341 -8.764 -7.734 1.00 1.63 H new ATOM 0 HD21 LEU A 87 1.082 -6.124 -8.667 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.824 -6.488 -8.646 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.046 -5.949 -10.153 1.00 1.34 H new ATOM 1379 N SER A 88 5.088 -8.311 -12.806 1.00 0.01 N ATOM 1380 CA SER A 88 5.890 -9.077 -13.808 1.00 0.01 C ATOM 1381 C SER A 88 6.796 -10.066 -13.073 1.00 0.01 C ATOM 1382 O SER A 88 7.566 -9.663 -12.223 1.00 0.01 O ATOM 1383 CB SER A 88 6.757 -8.114 -14.621 1.00 0.81 C ATOM 1384 OG SER A 88 7.804 -8.842 -15.251 1.00 1.08 O ATOM 0 H SER A 88 5.631 -7.668 -12.229 1.00 0.01 H new ATOM 0 HA SER A 88 5.217 -9.612 -14.478 1.00 0.01 H new ATOM 0 HB2 SER A 88 6.151 -7.605 -15.370 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.174 -7.344 -13.971 1.00 0.81 H new ATOM 0 HG SER A 88 8.361 -8.228 -15.774 1.00 1.08 H new ATOM 1390 N SER A 89 6.775 -11.331 -13.405 1.00 0.01 N ATOM 1391 CA SER A 89 7.707 -12.293 -12.735 1.00 0.01 C ATOM 1392 C SER A 89 8.825 -12.580 -13.734 1.00 0.01 C ATOM 1393 O SER A 89 9.061 -11.781 -14.618 1.00 0.01 O ATOM 1394 CB SER A 89 6.961 -13.587 -12.400 1.00 0.43 C ATOM 1395 OG SER A 89 6.330 -14.082 -13.573 1.00 1.26 O ATOM 0 H SER A 89 6.158 -11.740 -14.106 1.00 0.01 H new ATOM 0 HA SER A 89 8.104 -11.882 -11.807 1.00 0.01 H new ATOM 0 HB2 SER A 89 7.655 -14.329 -12.006 1.00 0.43 H new ATOM 0 HB3 SER A 89 6.218 -13.402 -11.624 1.00 0.43 H new ATOM 0 HG SER A 89 5.853 -14.912 -13.362 1.00 1.26 H new ATOM 1401 N GLY A 90 9.497 -13.706 -13.660 1.00 0.01 N ATOM 1402 CA GLY A 90 10.561 -14.003 -14.674 1.00 0.00 C ATOM 1403 C GLY A 90 11.816 -14.616 -14.050 1.00 0.00 C ATOM 1404 O GLY A 90 12.271 -15.659 -14.477 1.00 0.01 O ATOM 0 H GLY A 90 9.357 -14.425 -12.950 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.162 -14.686 -15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.830 -13.083 -15.192 1.00 0.00 H new ATOM 1408 N GLY A 91 12.394 -14.001 -13.050 1.00 0.00 N ATOM 1409 CA GLY A 91 13.615 -14.607 -12.450 1.00 0.00 C ATOM 1410 C GLY A 91 14.160 -13.770 -11.285 1.00 0.00 C ATOM 1411 O GLY A 91 13.648 -13.841 -10.186 1.00 0.01 O ATOM 0 H GLY A 91 12.081 -13.125 -12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.385 -15.612 -12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.384 -14.706 -13.216 1.00 0.00 H new ATOM 1415 N GLN A 92 15.201 -12.998 -11.500 1.00 1.80 N ATOM 1416 CA GLN A 92 15.791 -12.176 -10.385 1.00 2.31 C ATOM 1417 C GLN A 92 15.767 -10.686 -10.739 1.00 1.91 C ATOM 1418 O GLN A 92 16.354 -10.247 -11.708 1.00 2.31 O ATOM 1419 CB GLN A 92 17.229 -12.638 -10.141 1.00 2.11 C ATOM 1420 CG GLN A 92 17.795 -11.914 -8.917 1.00 2.86 C ATOM 1421 CD GLN A 92 19.144 -12.525 -8.539 1.00 3.70 C ATOM 1422 OE1 GLN A 92 20.029 -12.630 -9.364 1.00 3.99 O ATOM 1423 NE2 GLN A 92 19.342 -12.937 -7.317 1.00 4.43 N ATOM 0 H GLN A 92 15.670 -12.900 -12.400 1.00 1.80 H new ATOM 0 HA GLN A 92 15.198 -12.315 -9.481 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.254 -13.716 -9.983 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.843 -12.429 -11.017 1.00 2.11 H new ATOM 0 HG2 GLN A 92 17.913 -10.852 -9.132 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.101 -11.995 -8.081 1.00 2.86 H new ATOM 0 HE21 GLN A 92 18.600 -12.850 -6.623 1.00 4.43 H new ATOM 0 HE22 GLN A 92 20.239 -13.346 -7.056 1.00 4.43 H new ATOM 1432 N ALA A 93 15.078 -9.914 -9.939 1.00 0.01 N ATOM 1433 CA ALA A 93 14.999 -8.449 -10.208 1.00 0.01 C ATOM 1434 C ALA A 93 16.292 -7.775 -9.729 1.00 0.01 C ATOM 1435 O ALA A 93 16.737 -7.988 -8.619 1.00 0.01 O ATOM 1436 CB ALA A 93 13.807 -7.852 -9.456 1.00 2.99 C ATOM 0 H ALA A 93 14.569 -10.234 -9.115 1.00 0.01 H new ATOM 0 HA ALA A 93 14.872 -8.283 -11.278 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.751 -6.782 -9.654 1.00 2.99 H new ATOM 0 HB2 ALA A 93 12.888 -8.332 -9.792 1.00 2.99 H new ATOM 0 HB3 ALA A 93 13.932 -8.017 -8.386 1.00 2.99 H new ATOM 1442 N LYS A 94 16.895 -6.966 -10.564 1.00 0.00 N ATOM 1443 CA LYS A 94 18.166 -6.265 -10.182 1.00 0.01 C ATOM 1444 C LYS A 94 18.033 -4.776 -10.516 1.00 0.01 C ATOM 1445 O LYS A 94 17.450 -4.412 -11.518 1.00 0.01 O ATOM 1446 CB LYS A 94 19.312 -6.887 -10.983 1.00 2.49 C ATOM 1447 CG LYS A 94 20.642 -6.268 -10.543 1.00 3.43 C ATOM 1448 CD LYS A 94 21.804 -7.137 -11.037 1.00 4.11 C ATOM 1449 CE LYS A 94 21.841 -7.140 -12.569 1.00 5.23 C ATOM 1450 NZ LYS A 94 20.818 -8.089 -13.090 1.00 6.36 N ATOM 0 H LYS A 94 16.560 -6.757 -11.504 1.00 0.00 H new ATOM 0 HA LYS A 94 18.364 -6.371 -9.115 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.333 -7.966 -10.829 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.157 -6.720 -12.049 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.734 -5.258 -10.943 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.674 -6.184 -9.457 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.746 -6.757 -10.643 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.691 -8.156 -10.666 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.649 -6.137 -12.950 1.00 5.23 H new ATOM 0 HE3 LYS A 94 22.832 -7.429 -12.919 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 21.234 -8.666 -13.848 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 20.496 -8.709 -12.320 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 20.009 -7.555 -13.466 1.00 6.36 H new ATOM 1464 N ILE A 95 18.561 -3.909 -9.677 1.00 0.00 N ATOM 1465 CA ILE A 95 18.453 -2.432 -9.942 1.00 0.01 C ATOM 1466 C ILE A 95 19.833 -1.778 -9.837 1.00 0.01 C ATOM 1467 O ILE A 95 20.663 -2.156 -9.027 1.00 0.01 O ATOM 1468 CB ILE A 95 17.501 -1.804 -8.917 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.505 -0.283 -9.074 1.00 0.30 C ATOM 1470 CG2 ILE A 95 17.945 -2.173 -7.501 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.347 0.313 -8.271 1.00 1.09 C ATOM 0 H ILE A 95 19.060 -4.159 -8.823 1.00 0.00 H new ATOM 0 HA ILE A 95 18.065 -2.272 -10.948 1.00 0.01 H new ATOM 0 HB ILE A 95 16.493 -2.183 -9.088 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.453 0.127 -8.726 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.409 -0.015 -10.126 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.265 -1.724 -6.778 1.00 0.36 H new ATOM 0 HG22 ILE A 95 17.932 -3.257 -7.387 1.00 0.36 H new ATOM 0 HG23 ILE A 95 18.955 -1.802 -7.328 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.348 1.397 -8.381 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.403 -0.089 -8.640 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.464 0.055 -7.218 1.00 1.09 H new ATOM 1483 N GLN A 96 20.064 -0.759 -10.635 1.00 0.01 N ATOM 1484 CA GLN A 96 21.356 -0.006 -10.588 1.00 0.01 C ATOM 1485 C GLN A 96 21.031 1.462 -10.296 1.00 0.01 C ATOM 1486 O GLN A 96 20.145 2.026 -10.906 1.00 0.00 O ATOM 1487 CB GLN A 96 22.089 -0.129 -11.926 1.00 0.53 C ATOM 1488 CG GLN A 96 21.087 -0.018 -13.071 1.00 0.82 C ATOM 1489 CD GLN A 96 21.842 0.131 -14.393 1.00 1.25 C ATOM 1490 OE1 GLN A 96 21.930 1.215 -14.936 1.00 1.75 O ATOM 1491 NE2 GLN A 96 22.392 -0.919 -14.936 1.00 2.05 N ATOM 0 H GLN A 96 19.399 -0.414 -11.327 1.00 0.01 H new ATOM 0 HA GLN A 96 22.004 -0.413 -9.812 1.00 0.01 H new ATOM 0 HB2 GLN A 96 22.843 0.653 -12.012 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.613 -1.084 -11.979 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.451 -0.903 -13.100 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.432 0.839 -12.914 1.00 0.82 H new ATOM 0 HE21 GLN A 96 22.317 -1.828 -14.479 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.897 -0.832 -15.818 1.00 2.05 H new ATOM 1500 N VAL A 97 21.727 2.097 -9.382 1.00 0.01 N ATOM 1501 CA VAL A 97 21.436 3.539 -9.070 1.00 0.01 C ATOM 1502 C VAL A 97 22.705 4.375 -9.258 1.00 0.01 C ATOM 1503 O VAL A 97 23.805 3.918 -9.020 1.00 0.01 O ATOM 1504 CB VAL A 97 20.963 3.662 -7.617 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.721 2.792 -7.400 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.079 3.200 -6.679 1.00 1.03 C ATOM 0 H VAL A 97 22.483 1.682 -8.838 1.00 0.01 H new ATOM 0 HA VAL A 97 20.659 3.901 -9.743 1.00 0.01 H new ATOM 0 HB VAL A 97 20.714 4.702 -7.406 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.389 2.883 -6.366 1.00 1.10 H new ATOM 0 HG12 VAL A 97 18.925 3.122 -8.067 1.00 1.10 H new ATOM 0 HG13 VAL A 97 19.964 1.751 -7.613 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.745 3.287 -5.645 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.328 2.161 -6.894 1.00 1.03 H new ATOM 0 HG23 VAL A 97 22.961 3.823 -6.828 1.00 1.03 H new ATOM 1516 N PHE A 98 22.548 5.601 -9.710 1.00 0.01 N ATOM 1517 CA PHE A 98 23.733 6.490 -9.951 1.00 0.01 C ATOM 1518 C PHE A 98 23.662 7.738 -9.068 1.00 0.01 C ATOM 1519 O PHE A 98 22.611 8.295 -8.824 1.00 0.01 O ATOM 1520 CB PHE A 98 23.747 6.920 -11.419 1.00 0.25 C ATOM 1521 CG PHE A 98 23.904 5.702 -12.301 1.00 0.36 C ATOM 1522 CD1 PHE A 98 22.832 4.819 -12.464 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.117 5.461 -12.958 1.00 0.58 C ATOM 1524 CE1 PHE A 98 22.971 3.693 -13.284 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.255 4.335 -13.780 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.182 3.451 -13.941 1.00 0.69 C ATOM 0 H PHE A 98 21.645 6.025 -9.923 1.00 0.01 H new ATOM 0 HA PHE A 98 24.640 5.937 -9.707 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.823 7.443 -11.664 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.565 7.618 -11.596 1.00 0.25 H new ATOM 0 HD1 PHE A 98 21.897 5.006 -11.957 1.00 0.42 H new ATOM 0 HD2 PHE A 98 25.945 6.142 -12.831 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.143 3.011 -13.409 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.189 4.149 -14.289 1.00 0.73 H new ATOM 0 HZ PHE A 98 24.289 2.582 -14.573 1.00 0.69 H new ATOM 1536 N GLU A 99 24.794 8.149 -8.567 1.00 0.01 N ATOM 1537 CA GLU A 99 24.838 9.336 -7.665 1.00 0.01 C ATOM 1538 C GLU A 99 24.458 10.619 -8.414 1.00 0.01 C ATOM 1539 O GLU A 99 23.921 11.538 -7.827 1.00 0.01 O ATOM 1540 CB GLU A 99 26.248 9.487 -7.087 1.00 0.01 C ATOM 1541 CG GLU A 99 26.323 10.758 -6.235 1.00 0.01 C ATOM 1542 CD GLU A 99 27.584 10.718 -5.370 1.00 0.01 C ATOM 1543 OE1 GLU A 99 27.770 9.735 -4.674 1.00 0.02 O ATOM 1544 OE2 GLU A 99 28.342 11.674 -5.418 1.00 0.01 O ATOM 0 H GLU A 99 25.698 7.711 -8.745 1.00 0.01 H new ATOM 0 HA GLU A 99 24.117 9.180 -6.863 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.498 8.616 -6.481 1.00 0.01 H new ATOM 0 HB3 GLU A 99 26.979 9.535 -7.894 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.337 11.639 -6.877 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.438 10.838 -5.603 1.00 0.01 H new ATOM 1551 N LYS A 100 24.733 10.701 -9.698 1.00 0.01 N ATOM 1552 CA LYS A 100 24.389 11.942 -10.474 1.00 0.01 C ATOM 1553 C LYS A 100 23.356 11.624 -11.560 1.00 0.01 C ATOM 1554 O LYS A 100 23.043 10.481 -11.828 1.00 0.01 O ATOM 1555 CB LYS A 100 25.651 12.510 -11.127 1.00 0.94 C ATOM 1556 CG LYS A 100 26.713 12.774 -10.056 1.00 1.63 C ATOM 1557 CD LYS A 100 28.063 13.033 -10.727 1.00 2.19 C ATOM 1558 CE LYS A 100 29.138 13.222 -9.656 1.00 2.84 C ATOM 1559 NZ LYS A 100 28.881 14.487 -8.910 1.00 3.18 N ATOM 0 H LYS A 100 25.180 9.963 -10.242 1.00 0.01 H new ATOM 0 HA LYS A 100 23.968 12.676 -9.787 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.035 11.809 -11.869 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.415 13.434 -11.654 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.426 13.633 -9.449 1.00 1.63 H new ATOM 0 HG3 LYS A 100 26.787 11.919 -9.384 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.325 12.197 -11.376 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.003 13.920 -11.358 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.135 12.376 -8.969 1.00 2.84 H new ATOM 0 HE3 LYS A 100 30.125 13.254 -10.118 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 29.734 14.757 -8.380 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 28.637 15.243 -9.582 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 28.093 14.345 -8.247 1.00 3.18 H new ATOM 1573 N GLY A 101 22.823 12.641 -12.175 1.00 0.01 N ATOM 1574 CA GLY A 101 21.796 12.439 -13.240 1.00 0.01 C ATOM 1575 C GLY A 101 22.429 11.829 -14.496 1.00 0.00 C ATOM 1576 O GLY A 101 23.636 11.746 -14.628 1.00 0.01 O ATOM 0 H GLY A 101 23.056 13.616 -11.985 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.006 11.785 -12.871 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.330 13.393 -13.488 1.00 0.01 H new ATOM 1580 N ASP A 102 21.592 11.427 -15.422 1.00 0.01 N ATOM 1581 CA ASP A 102 22.070 10.845 -16.713 1.00 0.00 C ATOM 1582 C ASP A 102 23.047 9.695 -16.483 1.00 0.00 C ATOM 1583 O ASP A 102 24.005 9.520 -17.210 1.00 0.01 O ATOM 1584 CB ASP A 102 22.754 11.938 -17.537 1.00 0.01 C ATOM 1585 CG ASP A 102 21.710 12.949 -18.011 1.00 0.01 C ATOM 1586 OD1 ASP A 102 20.824 12.553 -18.752 1.00 0.01 O ATOM 1587 OD2 ASP A 102 21.813 14.102 -17.627 1.00 0.01 O ATOM 0 H ASP A 102 20.577 11.480 -15.334 1.00 0.01 H new ATOM 0 HA ASP A 102 21.206 10.451 -17.249 1.00 0.00 H new ATOM 0 HB2 ASP A 102 23.514 12.438 -16.937 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.264 11.497 -18.394 1.00 0.01 H new ATOM 1592 N PHE A 103 22.786 8.889 -15.496 1.00 0.01 N ATOM 1593 CA PHE A 103 23.662 7.718 -15.221 1.00 0.01 C ATOM 1594 C PHE A 103 25.127 8.140 -15.120 1.00 0.00 C ATOM 1595 O PHE A 103 25.998 7.534 -15.713 1.00 0.01 O ATOM 1596 CB PHE A 103 23.508 6.697 -16.349 1.00 0.01 C ATOM 1597 CG PHE A 103 22.040 6.501 -16.655 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.191 5.961 -15.681 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.527 6.858 -17.909 1.00 0.01 C ATOM 1600 CE1 PHE A 103 19.831 5.778 -15.961 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.168 6.674 -18.188 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.320 6.134 -17.214 1.00 0.01 C ATOM 0 H PHE A 103 21.995 8.992 -14.861 1.00 0.01 H new ATOM 0 HA PHE A 103 23.363 7.279 -14.269 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.033 7.041 -17.240 1.00 0.01 H new ATOM 0 HB3 PHE A 103 23.960 5.748 -16.059 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.585 5.686 -14.714 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.181 7.275 -18.661 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.176 5.362 -15.209 1.00 0.01 H new ATOM 0 HE2 PHE A 103 19.773 6.949 -19.155 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.271 5.992 -17.430 1.00 0.01 H new ATOM 1612 N ASN A 104 25.407 9.158 -14.347 1.00 0.00 N ATOM 1613 CA ASN A 104 26.819 9.620 -14.158 1.00 0.01 C ATOM 1614 C ASN A 104 27.135 9.601 -12.661 1.00 0.01 C ATOM 1615 O ASN A 104 26.249 9.489 -11.836 1.00 0.01 O ATOM 1616 CB ASN A 104 26.972 11.047 -14.689 1.00 1.68 C ATOM 1617 CG ASN A 104 26.941 11.028 -16.218 1.00 2.31 C ATOM 1618 OD1 ASN A 104 27.590 10.096 -16.863 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 26.320 11.872 -16.835 1.00 2.38 N flip ATOM 0 H ASN A 104 24.710 9.696 -13.832 1.00 0.00 H new ATOM 0 HA ASN A 104 27.501 8.964 -14.699 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.169 11.677 -14.306 1.00 1.68 H new ATOM 0 HB3 ASN A 104 27.910 11.478 -14.339 1.00 1.68 H new ATOM 0 HD21 ASN A 104 25.813 12.601 -16.333 1.00 2.38 H new ATOM 0 HD22 ASN A 104 26.306 11.851 -17.855 1.00 2.38 H new ATOM 1626 N GLY A 105 28.389 9.690 -12.293 1.00 0.01 N ATOM 1627 CA GLY A 105 28.747 9.665 -10.841 1.00 0.01 C ATOM 1628 C GLY A 105 29.053 8.229 -10.415 1.00 0.01 C ATOM 1629 O GLY A 105 29.257 7.360 -11.240 1.00 0.01 O ATOM 0 H GLY A 105 29.178 9.779 -12.933 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.612 10.302 -10.658 1.00 0.01 H new ATOM 0 HA3 GLY A 105 27.926 10.065 -10.246 1.00 0.01 H new ATOM 1633 N GLN A 106 29.068 7.961 -9.138 1.00 0.01 N ATOM 1634 CA GLN A 106 29.337 6.572 -8.673 1.00 0.01 C ATOM 1635 C GLN A 106 28.073 5.738 -8.880 1.00 0.01 C ATOM 1636 O GLN A 106 26.966 6.220 -8.742 1.00 0.01 O ATOM 1637 CB GLN A 106 29.705 6.592 -7.187 1.00 0.01 C ATOM 1638 CG GLN A 106 30.250 5.221 -6.779 1.00 0.01 C ATOM 1639 CD GLN A 106 31.650 5.033 -7.365 1.00 0.01 C ATOM 1640 OE1 GLN A 106 32.627 5.471 -6.790 1.00 0.01 O ATOM 1641 NE2 GLN A 106 31.791 4.395 -8.496 1.00 0.01 N ATOM 0 H GLN A 106 28.906 8.644 -8.398 1.00 0.01 H new ATOM 0 HA GLN A 106 30.164 6.141 -9.237 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.451 7.363 -6.996 1.00 0.01 H new ATOM 0 HB3 GLN A 106 28.829 6.840 -6.588 1.00 0.01 H new ATOM 0 HG2 GLN A 106 30.285 5.141 -5.693 1.00 0.01 H new ATOM 0 HG3 GLN A 106 29.586 4.433 -7.136 1.00 0.01 H new ATOM 0 HE21 GLN A 106 30.972 4.027 -8.979 1.00 0.01 H new ATOM 0 HE22 GLN A 106 32.720 4.265 -8.896 1.00 0.01 H new ATOM 1650 N MET A 107 28.241 4.486 -9.225 1.00 0.01 N ATOM 1651 CA MET A 107 27.066 3.587 -9.465 1.00 0.01 C ATOM 1652 C MET A 107 27.059 2.457 -8.434 1.00 0.01 C ATOM 1653 O MET A 107 28.084 1.910 -8.081 1.00 0.01 O ATOM 1654 CB MET A 107 27.185 2.984 -10.871 1.00 0.00 C ATOM 1655 CG MET A 107 26.097 1.927 -11.085 1.00 0.01 C ATOM 1656 SD MET A 107 26.059 1.456 -12.834 1.00 0.01 S ATOM 1657 CE MET A 107 25.614 -0.284 -12.604 1.00 0.01 C ATOM 0 H MET A 107 29.151 4.042 -9.352 1.00 0.01 H new ATOM 0 HA MET A 107 26.143 4.160 -9.377 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.092 3.770 -11.621 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.170 2.535 -11.000 1.00 0.00 H new ATOM 0 HG2 MET A 107 26.296 1.053 -10.465 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.127 2.320 -10.781 1.00 0.01 H new ATOM 0 HE1 MET A 107 25.115 -0.653 -13.500 1.00 0.01 H new ATOM 0 HE2 MET A 107 26.516 -0.869 -12.424 1.00 0.01 H new ATOM 0 HE3 MET A 107 24.944 -0.378 -11.750 1.00 0.01 H new ATOM 1667 N TYR A 108 25.890 2.095 -7.973 1.00 0.01 N ATOM 1668 CA TYR A 108 25.752 0.984 -6.982 1.00 0.00 C ATOM 1669 C TYR A 108 24.659 0.033 -7.483 1.00 0.01 C ATOM 1670 O TYR A 108 23.630 0.455 -7.970 1.00 0.01 O ATOM 1671 CB TYR A 108 25.346 1.552 -5.619 1.00 0.54 C ATOM 1672 CG TYR A 108 26.529 2.248 -4.990 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.501 1.502 -4.313 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.654 3.640 -5.081 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.598 2.147 -3.729 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.750 4.285 -4.498 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.723 3.538 -3.823 1.00 1.82 C ATOM 1678 OH TYR A 108 29.804 4.174 -3.246 1.00 2.48 O ATOM 0 H TYR A 108 25.009 2.530 -8.246 1.00 0.01 H new ATOM 0 HA TYR A 108 26.700 0.456 -6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.519 2.252 -5.737 1.00 0.54 H new ATOM 0 HB3 TYR A 108 24.995 0.750 -4.969 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.405 0.429 -4.241 1.00 1.24 H new ATOM 0 HD2 TYR A 108 25.903 4.216 -5.602 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.348 1.571 -3.206 1.00 1.76 H new ATOM 0 HE2 TYR A 108 27.846 5.358 -4.569 1.00 1.51 H new ATOM 0 HH TYR A 108 29.739 5.139 -3.405 1.00 2.48 H new ATOM 1688 N GLU A 109 24.900 -1.250 -7.399 1.00 0.01 N ATOM 1689 CA GLU A 109 23.909 -2.260 -7.900 1.00 0.01 C ATOM 1690 C GLU A 109 23.444 -3.154 -6.752 1.00 0.01 C ATOM 1691 O GLU A 109 24.237 -3.637 -5.969 1.00 0.01 O ATOM 1692 CB GLU A 109 24.604 -3.103 -8.971 1.00 0.01 C ATOM 1693 CG GLU A 109 23.559 -3.902 -9.755 1.00 0.01 C ATOM 1694 CD GLU A 109 24.239 -4.620 -10.923 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.335 -5.119 -10.728 1.00 0.00 O ATOM 1696 OE2 GLU A 109 23.650 -4.661 -11.992 1.00 0.00 O ATOM 0 H GLU A 109 25.750 -1.649 -7.001 1.00 0.01 H new ATOM 0 HA GLU A 109 23.034 -1.760 -8.316 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.166 -2.459 -9.647 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.321 -3.780 -8.507 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.074 -4.627 -9.101 1.00 0.01 H new ATOM 0 HG3 GLU A 109 22.780 -3.236 -10.127 1.00 0.01 H new ATOM 1703 N THR A 110 22.153 -3.380 -6.637 1.00 0.01 N ATOM 1704 CA THR A 110 21.653 -4.247 -5.525 1.00 0.00 C ATOM 1705 C THR A 110 20.396 -5.013 -5.950 1.00 0.01 C ATOM 1706 O THR A 110 19.600 -4.563 -6.756 1.00 0.01 O ATOM 1707 CB THR A 110 21.323 -3.389 -4.300 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.691 -4.194 -3.315 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.386 -2.250 -4.707 1.00 1.69 C ATOM 0 H THR A 110 21.435 -3.006 -7.258 1.00 0.01 H new ATOM 0 HA THR A 110 22.438 -4.962 -5.278 1.00 0.00 H new ATOM 0 HB THR A 110 22.244 -2.971 -3.893 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.481 -3.646 -2.530 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.153 -1.641 -3.834 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.872 -1.631 -5.462 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.465 -2.665 -5.116 1.00 1.69 H new ATOM 1717 N THR A 111 20.232 -6.184 -5.387 1.00 0.00 N ATOM 1718 CA THR A 111 19.051 -7.049 -5.701 1.00 0.01 C ATOM 1719 C THR A 111 18.121 -7.145 -4.483 1.00 0.01 C ATOM 1720 O THR A 111 17.221 -7.961 -4.452 1.00 0.01 O ATOM 1721 CB THR A 111 19.545 -8.449 -6.072 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.492 -8.885 -5.108 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.198 -8.408 -7.455 1.00 0.01 C ATOM 0 H THR A 111 20.880 -6.585 -4.709 1.00 0.00 H new ATOM 0 HA THR A 111 18.498 -6.612 -6.532 1.00 0.01 H new ATOM 0 HB THR A 111 18.704 -9.142 -6.091 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.059 -9.498 -4.478 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.550 -9.405 -7.721 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.468 -8.073 -8.192 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.041 -7.717 -7.439 1.00 0.01 H new ATOM 1731 N GLU A 112 18.351 -6.344 -3.464 1.00 0.01 N ATOM 1732 CA GLU A 112 17.501 -6.417 -2.223 1.00 0.01 C ATOM 1733 C GLU A 112 16.814 -5.075 -1.932 1.00 0.01 C ATOM 1734 O GLU A 112 17.209 -4.037 -2.425 1.00 0.01 O ATOM 1735 CB GLU A 112 18.395 -6.783 -1.036 1.00 0.85 C ATOM 1736 CG GLU A 112 18.810 -8.251 -1.144 1.00 1.61 C ATOM 1737 CD GLU A 112 19.663 -8.448 -2.398 1.00 2.51 C ATOM 1738 OE1 GLU A 112 20.397 -7.536 -2.741 1.00 3.07 O ATOM 1739 OE2 GLU A 112 19.568 -9.509 -2.995 1.00 3.21 O ATOM 0 H GLU A 112 19.091 -5.642 -3.437 1.00 0.01 H new ATOM 0 HA GLU A 112 16.728 -7.170 -2.378 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.278 -6.144 -1.022 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.863 -6.612 -0.100 1.00 0.85 H new ATOM 0 HG2 GLU A 112 19.372 -8.547 -0.258 1.00 1.61 H new ATOM 0 HG3 GLU A 112 17.926 -8.888 -1.188 1.00 1.61 H new ATOM 1746 N ASP A 113 15.802 -5.100 -1.100 1.00 0.01 N ATOM 1747 CA ASP A 113 15.085 -3.843 -0.723 1.00 0.01 C ATOM 1748 C ASP A 113 16.025 -2.985 0.128 1.00 0.00 C ATOM 1749 O ASP A 113 16.927 -3.491 0.769 1.00 0.01 O ATOM 1750 CB ASP A 113 13.845 -4.200 0.104 1.00 0.01 C ATOM 1751 CG ASP A 113 14.182 -5.345 1.060 1.00 0.01 C ATOM 1752 OD1 ASP A 113 14.292 -6.467 0.594 1.00 0.00 O ATOM 1753 OD2 ASP A 113 14.324 -5.080 2.243 1.00 0.00 O ATOM 0 H ASP A 113 15.439 -5.946 -0.662 1.00 0.01 H new ATOM 0 HA ASP A 113 14.783 -3.299 -1.618 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.507 -3.330 0.667 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.027 -4.491 -0.555 1.00 0.01 H new ATOM 1758 N CYS A 114 15.796 -1.690 0.168 1.00 0.01 N ATOM 1759 CA CYS A 114 16.644 -0.784 1.012 1.00 0.01 C ATOM 1760 C CYS A 114 15.720 0.054 1.924 1.00 0.01 C ATOM 1761 O CYS A 114 14.984 0.888 1.429 1.00 0.01 O ATOM 1762 CB CYS A 114 17.424 0.167 0.102 1.00 0.01 C ATOM 1763 SG CYS A 114 18.693 1.018 1.070 1.00 0.01 S ATOM 0 H CYS A 114 15.054 -1.220 -0.351 1.00 0.01 H new ATOM 0 HA CYS A 114 17.335 -1.377 1.612 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.885 -0.389 -0.714 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.748 0.893 -0.349 1.00 0.01 H new ATOM 0 HG CYS A 114 19.621 0.173 1.408 1.00 0.01 H new ATOM 1769 N PRO A 115 15.742 -0.114 3.239 1.00 0.01 N ATOM 1770 CA PRO A 115 14.865 0.717 4.112 1.00 0.01 C ATOM 1771 C PRO A 115 15.403 2.148 4.230 1.00 0.01 C ATOM 1772 O PRO A 115 14.652 3.088 4.422 1.00 0.01 O ATOM 1773 CB PRO A 115 14.932 -0.030 5.456 1.00 0.01 C ATOM 1774 CG PRO A 115 16.150 -0.973 5.411 1.00 0.01 C ATOM 1775 CD PRO A 115 16.600 -1.113 3.942 1.00 0.01 C ATOM 0 HA PRO A 115 13.849 0.830 3.735 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.026 0.676 6.281 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.016 -0.597 5.624 1.00 0.01 H new ATOM 0 HG2 PRO A 115 16.961 -0.575 6.020 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.891 -1.948 5.823 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.661 -0.892 3.821 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.439 -2.122 3.564 1.00 0.01 H new ATOM 1783 N SER A 116 16.694 2.318 4.122 1.00 0.01 N ATOM 1784 CA SER A 116 17.290 3.683 4.230 1.00 0.02 C ATOM 1785 C SER A 116 18.446 3.804 3.235 1.00 0.01 C ATOM 1786 O SER A 116 19.484 3.183 3.382 1.00 0.00 O ATOM 1787 CB SER A 116 17.808 3.895 5.652 1.00 0.01 C ATOM 1788 OG SER A 116 18.525 2.740 6.067 1.00 0.01 O ATOM 0 H SER A 116 17.365 1.567 3.963 1.00 0.01 H new ATOM 0 HA SER A 116 16.536 4.438 4.005 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.455 4.772 5.689 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.976 4.084 6.330 1.00 0.01 H new ATOM 0 HG SER A 116 18.860 2.873 6.978 1.00 0.01 H new ATOM 1794 N ILE A 117 18.245 4.578 2.201 1.00 0.01 N ATOM 1795 CA ILE A 117 19.288 4.743 1.149 1.00 0.01 C ATOM 1796 C ILE A 117 20.539 5.400 1.729 1.00 0.01 C ATOM 1797 O ILE A 117 21.644 5.060 1.356 1.00 0.00 O ATOM 1798 CB ILE A 117 18.720 5.620 0.029 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.598 4.860 -0.686 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.819 5.964 -0.981 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.831 5.813 -1.607 1.00 1.83 C ATOM 0 H ILE A 117 17.390 5.110 2.040 1.00 0.01 H new ATOM 0 HA ILE A 117 19.564 3.763 0.760 1.00 0.01 H new ATOM 0 HB ILE A 117 18.331 6.542 0.460 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.016 4.037 -1.266 1.00 1.44 H new ATOM 0 HG13 ILE A 117 16.919 4.422 0.046 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.403 6.588 -1.773 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.621 6.504 -0.477 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.216 5.046 -1.413 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.034 5.268 -2.113 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.399 6.621 -1.016 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.513 6.230 -2.348 1.00 1.83 H new ATOM 1813 N MET A 118 20.382 6.354 2.607 1.00 0.02 N ATOM 1814 CA MET A 118 21.584 7.038 3.162 1.00 0.01 C ATOM 1815 C MET A 118 22.375 6.078 4.049 1.00 0.01 C ATOM 1816 O MET A 118 23.585 6.095 4.056 1.00 0.02 O ATOM 1817 CB MET A 118 21.168 8.272 3.969 1.00 0.24 C ATOM 1818 CG MET A 118 22.410 9.031 4.448 1.00 0.63 C ATOM 1819 SD MET A 118 23.065 8.239 5.936 1.00 1.20 S ATOM 1820 CE MET A 118 22.077 9.163 7.136 1.00 1.34 C ATOM 0 H MET A 118 19.485 6.686 2.960 1.00 0.02 H new ATOM 0 HA MET A 118 22.216 7.356 2.333 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.547 8.925 3.356 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.564 7.970 4.825 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.168 9.040 3.665 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.156 10.070 4.658 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.324 8.830 8.144 1.00 1.34 H new ATOM 0 HE2 MET A 118 22.293 10.227 7.043 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.018 8.990 6.946 1.00 1.34 H new ATOM 1830 N GLU A 119 21.723 5.241 4.800 1.00 0.01 N ATOM 1831 CA GLU A 119 22.483 4.309 5.675 1.00 0.02 C ATOM 1832 C GLU A 119 23.208 3.266 4.822 1.00 0.02 C ATOM 1833 O GLU A 119 24.303 2.841 5.135 1.00 0.01 O ATOM 1834 CB GLU A 119 21.512 3.602 6.624 1.00 0.30 C ATOM 1835 CG GLU A 119 22.305 2.831 7.681 1.00 0.99 C ATOM 1836 CD GLU A 119 21.341 2.227 8.704 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.788 2.984 9.485 1.00 2.11 O ATOM 1838 OE2 GLU A 119 21.174 1.019 8.689 1.00 2.07 O ATOM 0 H GLU A 119 20.707 5.161 4.847 1.00 0.01 H new ATOM 0 HA GLU A 119 23.217 4.874 6.250 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.859 4.331 7.104 1.00 0.30 H new ATOM 0 HB3 GLU A 119 20.872 2.920 6.065 1.00 0.30 H new ATOM 0 HG2 GLU A 119 22.891 2.043 7.208 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.010 3.497 8.179 1.00 0.99 H new ATOM 1845 N GLN A 120 22.580 2.810 3.775 1.00 0.00 N ATOM 1846 CA GLN A 120 23.201 1.743 2.935 1.00 0.01 C ATOM 1847 C GLN A 120 24.254 2.300 1.967 1.00 0.01 C ATOM 1848 O GLN A 120 25.316 1.731 1.813 1.00 0.01 O ATOM 1849 CB GLN A 120 22.103 1.043 2.132 1.00 0.52 C ATOM 1850 CG GLN A 120 22.652 -0.254 1.531 1.00 1.07 C ATOM 1851 CD GLN A 120 22.833 -1.294 2.638 1.00 1.08 C ATOM 1852 OE1 GLN A 120 21.914 -1.573 3.382 1.00 0.98 O ATOM 1853 NE2 GLN A 120 23.988 -1.883 2.780 1.00 2.08 N ATOM 0 H GLN A 120 21.663 3.129 3.463 1.00 0.00 H new ATOM 0 HA GLN A 120 23.705 1.045 3.603 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.251 0.825 2.776 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.744 1.699 1.339 1.00 0.52 H new ATOM 0 HG2 GLN A 120 21.969 -0.632 0.770 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.605 -0.063 1.037 1.00 1.07 H new ATOM 0 HE21 GLN A 120 24.760 -1.649 2.156 1.00 2.08 H new ATOM 0 HE22 GLN A 120 24.119 -2.577 3.515 1.00 2.08 H new ATOM 1862 N PHE A 121 23.942 3.363 1.264 1.00 0.02 N ATOM 1863 CA PHE A 121 24.899 3.905 0.238 1.00 0.01 C ATOM 1864 C PHE A 121 25.488 5.260 0.639 1.00 0.01 C ATOM 1865 O PHE A 121 26.265 5.839 -0.093 1.00 0.01 O ATOM 1866 CB PHE A 121 24.162 4.051 -1.091 1.00 0.01 C ATOM 1867 CG PHE A 121 23.513 2.737 -1.453 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.245 1.760 -2.139 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.182 2.493 -1.101 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.644 0.541 -2.474 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.579 1.274 -1.435 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.311 0.299 -2.122 1.00 0.01 C ATOM 0 H PHE A 121 23.068 3.881 1.354 1.00 0.02 H new ATOM 0 HA PHE A 121 25.729 3.204 0.155 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.407 4.833 -1.016 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.858 4.353 -1.874 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.274 1.947 -2.410 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.618 3.246 -0.571 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.208 -0.212 -3.004 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.551 1.087 -1.163 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.847 -0.641 -2.381 1.00 0.01 H new ATOM 1882 N HIS A 122 25.129 5.783 1.776 1.00 0.01 N ATOM 1883 CA HIS A 122 25.678 7.104 2.188 1.00 0.01 C ATOM 1884 C HIS A 122 25.293 8.164 1.152 1.00 0.01 C ATOM 1885 O HIS A 122 26.031 9.096 0.900 1.00 0.02 O ATOM 1886 CB HIS A 122 27.203 7.005 2.306 1.00 0.01 C ATOM 1887 CG HIS A 122 27.576 5.676 2.901 1.00 0.01 C ATOM 1888 ND1 HIS A 122 27.453 5.411 4.255 1.00 0.01 N ATOM 1889 CD2 HIS A 122 28.072 4.527 2.337 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.865 4.146 4.460 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.254 3.562 3.323 1.00 0.01 N ATOM 0 H HIS A 122 24.481 5.355 2.437 1.00 0.01 H new ATOM 0 HA HIS A 122 25.264 7.391 3.155 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.662 7.117 1.324 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.583 7.814 2.930 1.00 0.01 H new ATOM 0 HD2 HIS A 122 28.288 4.392 1.287 1.00 0.01 H new ATOM 0 HE1 HIS A 122 27.879 3.662 5.426 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.608 2.613 3.203 1.00 0.01 H new ATOM 1899 N LEU A 123 24.132 8.024 0.553 1.00 0.01 N ATOM 1900 CA LEU A 123 23.671 9.018 -0.476 1.00 0.01 C ATOM 1901 C LEU A 123 22.474 9.787 0.086 1.00 0.02 C ATOM 1902 O LEU A 123 21.575 9.216 0.671 1.00 0.01 O ATOM 1903 CB LEU A 123 23.241 8.271 -1.755 1.00 0.01 C ATOM 1904 CG LEU A 123 24.464 7.971 -2.647 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.149 6.805 -3.590 1.00 0.01 C ATOM 1906 CD2 LEU A 123 24.812 9.198 -3.502 1.00 0.01 C ATOM 0 H LEU A 123 23.480 7.261 0.733 1.00 0.01 H new ATOM 0 HA LEU A 123 24.481 9.708 -0.715 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.742 7.340 -1.488 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.519 8.872 -2.308 1.00 0.01 H new ATOM 0 HG LEU A 123 25.304 7.718 -2.000 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.017 6.599 -4.216 1.00 0.01 H new ATOM 0 HD12 LEU A 123 23.906 5.919 -3.004 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.300 7.067 -4.221 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.677 8.973 -4.127 1.00 0.01 H new ATOM 0 HD22 LEU A 123 23.963 9.452 -4.136 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.044 10.041 -2.851 1.00 0.01 H new ATOM 1918 N ARG A 124 22.456 11.086 -0.082 1.00 0.01 N ATOM 1919 CA ARG A 124 21.323 11.899 0.447 1.00 0.00 C ATOM 1920 C ARG A 124 20.236 12.051 -0.621 1.00 0.01 C ATOM 1921 O ARG A 124 19.089 12.317 -0.321 1.00 0.01 O ATOM 1922 CB ARG A 124 21.833 13.286 0.845 1.00 1.67 C ATOM 1923 CG ARG A 124 22.648 13.180 2.135 1.00 1.98 C ATOM 1924 CD ARG A 124 23.256 14.544 2.466 1.00 2.92 C ATOM 1925 NE ARG A 124 24.049 14.444 3.724 1.00 3.54 N ATOM 1926 CZ ARG A 124 24.891 15.389 4.043 1.00 4.57 C ATOM 1927 NH1 ARG A 124 25.038 16.425 3.261 1.00 5.25 N ATOM 1928 NH2 ARG A 124 25.587 15.299 5.143 1.00 5.32 N ATOM 0 H ARG A 124 23.180 11.618 -0.564 1.00 0.01 H new ATOM 0 HA ARG A 124 20.902 11.394 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.448 13.702 0.047 1.00 1.67 H new ATOM 0 HB3 ARG A 124 20.994 13.967 0.988 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.011 12.845 2.954 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.437 12.436 2.020 1.00 1.98 H new ATOM 0 HD2 ARG A 124 23.894 14.878 1.647 1.00 2.92 H new ATOM 0 HD3 ARG A 124 22.467 15.288 2.579 1.00 2.92 H new ATOM 0 HE ARG A 124 23.934 13.636 4.336 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.495 16.496 2.401 1.00 5.25 H new ATOM 0 HH12 ARG A 124 25.696 17.163 3.511 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.473 14.490 5.754 1.00 5.32 H new ATOM 0 HH22 ARG A 124 26.245 16.038 5.392 1.00 5.32 H new ATOM 1942 N GLU A 125 20.593 11.905 -1.874 1.00 0.01 N ATOM 1943 CA GLU A 125 19.591 12.062 -2.974 1.00 0.01 C ATOM 1944 C GLU A 125 19.971 11.165 -4.157 1.00 0.01 C ATOM 1945 O GLU A 125 21.093 10.711 -4.267 1.00 0.01 O ATOM 1946 CB GLU A 125 19.584 13.517 -3.447 1.00 0.01 C ATOM 1947 CG GLU A 125 18.938 14.400 -2.377 1.00 0.01 C ATOM 1948 CD GLU A 125 18.773 15.821 -2.919 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.741 16.354 -3.434 1.00 0.01 O ATOM 1950 OE2 GLU A 125 17.679 16.353 -2.810 1.00 0.02 O ATOM 0 H GLU A 125 21.539 11.683 -2.183 1.00 0.01 H new ATOM 0 HA GLU A 125 18.606 11.781 -2.601 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.603 13.851 -3.643 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.035 13.603 -4.384 1.00 0.01 H new ATOM 0 HG2 GLU A 125 17.968 13.993 -2.092 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.555 14.411 -1.479 1.00 0.01 H new ATOM 1957 N ILE A 126 19.050 10.940 -5.063 1.00 0.01 N ATOM 1958 CA ILE A 126 19.348 10.109 -6.276 1.00 0.01 C ATOM 1959 C ILE A 126 18.835 10.874 -7.501 1.00 0.01 C ATOM 1960 O ILE A 126 17.711 11.336 -7.518 1.00 0.01 O ATOM 1961 CB ILE A 126 18.640 8.748 -6.164 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.423 7.874 -5.174 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.603 8.061 -7.542 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.700 6.545 -4.957 1.00 1.70 C ATOM 0 H ILE A 126 18.096 11.299 -5.015 1.00 0.01 H new ATOM 0 HA ILE A 126 20.419 9.928 -6.364 1.00 0.01 H new ATOM 0 HB ILE A 126 17.617 8.889 -5.815 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.428 7.692 -5.555 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.532 8.397 -4.224 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.100 7.098 -7.455 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.061 8.691 -8.248 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.621 7.908 -7.900 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.265 5.934 -4.253 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.704 6.734 -4.556 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.614 6.018 -5.907 1.00 1.70 H new ATOM 1976 N HIS A 127 19.662 11.047 -8.510 1.00 0.01 N ATOM 1977 CA HIS A 127 19.228 11.831 -9.714 1.00 0.01 C ATOM 1978 C HIS A 127 18.994 10.938 -10.936 1.00 0.01 C ATOM 1979 O HIS A 127 18.412 11.362 -11.916 1.00 0.01 O ATOM 1980 CB HIS A 127 20.288 12.884 -10.050 1.00 0.02 C ATOM 1981 CG HIS A 127 20.313 13.935 -8.975 1.00 0.01 C ATOM 1982 ND1 HIS A 127 20.804 13.680 -7.705 1.00 0.01 N ATOM 1983 CD2 HIS A 127 19.912 15.249 -8.965 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.689 14.813 -6.990 1.00 0.01 C ATOM 1985 NE2 HIS A 127 20.151 15.802 -7.710 1.00 0.02 N ATOM 0 H HIS A 127 20.613 10.681 -8.551 1.00 0.01 H new ATOM 0 HA HIS A 127 18.280 12.309 -9.468 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.268 12.414 -10.136 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.068 13.341 -11.015 1.00 0.02 H new ATOM 0 HD2 HIS A 127 19.477 15.773 -9.803 1.00 0.01 H new ATOM 0 HE1 HIS A 127 20.994 14.912 -5.959 1.00 0.01 H new ATOM 0 HE2 HIS A 127 19.957 16.756 -7.406 1.00 0.02 H new ATOM 1993 N SER A 128 19.409 9.700 -10.885 1.00 0.01 N ATOM 1994 CA SER A 128 19.173 8.786 -12.041 1.00 0.01 C ATOM 1995 C SER A 128 19.260 7.338 -11.553 1.00 0.01 C ATOM 1996 O SER A 128 19.948 7.038 -10.593 1.00 0.01 O ATOM 1997 CB SER A 128 20.237 9.033 -13.112 1.00 0.01 C ATOM 1998 OG SER A 128 20.365 7.873 -13.924 1.00 0.01 O ATOM 0 H SER A 128 19.900 9.283 -10.095 1.00 0.01 H new ATOM 0 HA SER A 128 18.187 8.972 -12.467 1.00 0.01 H new ATOM 0 HB2 SER A 128 19.960 9.891 -13.725 1.00 0.01 H new ATOM 0 HB3 SER A 128 21.192 9.270 -12.644 1.00 0.01 H new ATOM 0 HG SER A 128 19.610 7.825 -14.547 1.00 0.01 H new ATOM 2004 N CYS A 129 18.559 6.440 -12.189 1.00 0.01 N ATOM 2005 CA CYS A 129 18.590 5.015 -11.752 1.00 0.01 C ATOM 2006 C CYS A 129 17.926 4.154 -12.826 1.00 0.00 C ATOM 2007 O CYS A 129 16.971 4.575 -13.449 1.00 0.01 O ATOM 2008 CB CYS A 129 17.833 4.868 -10.428 1.00 0.69 C ATOM 2009 SG CYS A 129 17.484 3.118 -10.116 1.00 1.22 S ATOM 0 H CYS A 129 17.964 6.632 -12.995 1.00 0.01 H new ATOM 0 HA CYS A 129 19.621 4.693 -11.609 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.425 5.282 -9.612 1.00 0.69 H new ATOM 0 HB3 CYS A 129 16.902 5.434 -10.465 1.00 0.69 H new ATOM 0 HG CYS A 129 18.529 2.406 -10.420 1.00 1.22 H new ATOM 2015 N LYS A 130 18.418 2.955 -13.054 1.00 0.01 N ATOM 2016 CA LYS A 130 17.803 2.073 -14.099 1.00 0.01 C ATOM 2017 C LYS A 130 17.428 0.718 -13.486 1.00 0.01 C ATOM 2018 O LYS A 130 18.263 -0.107 -13.161 1.00 0.01 O ATOM 2019 CB LYS A 130 18.798 1.868 -15.253 1.00 0.55 C ATOM 2020 CG LYS A 130 18.046 1.461 -16.524 1.00 0.80 C ATOM 2021 CD LYS A 130 19.042 0.951 -17.569 1.00 0.29 C ATOM 2022 CE LYS A 130 18.338 0.799 -18.919 1.00 0.33 C ATOM 2023 NZ LYS A 130 17.069 0.038 -18.735 1.00 1.41 N ATOM 0 H LYS A 130 19.216 2.552 -12.563 1.00 0.01 H new ATOM 0 HA LYS A 130 16.901 2.549 -14.483 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.358 2.787 -15.430 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.523 1.099 -14.987 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.316 0.685 -16.294 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.492 2.313 -16.920 1.00 0.80 H new ATOM 0 HD2 LYS A 130 19.877 1.646 -17.659 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.457 -0.007 -17.254 1.00 0.29 H new ATOM 0 HE2 LYS A 130 18.128 1.780 -19.344 1.00 0.33 H new ATOM 0 HE3 LYS A 130 18.987 0.279 -19.623 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 16.837 -0.469 -19.613 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 17.184 -0.647 -17.961 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 16.299 0.698 -18.503 1.00 1.41 H new ATOM 2037 N VAL A 131 16.152 0.501 -13.350 1.00 0.01 N ATOM 2038 CA VAL A 131 15.611 -0.774 -12.793 1.00 0.01 C ATOM 2039 C VAL A 131 14.910 -1.504 -13.936 1.00 0.01 C ATOM 2040 O VAL A 131 14.148 -0.900 -14.664 1.00 0.01 O ATOM 2041 CB VAL A 131 14.605 -0.467 -11.682 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.466 0.386 -12.242 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.038 -1.780 -11.133 1.00 0.01 C ATOM 0 H VAL A 131 15.435 1.178 -13.611 1.00 0.01 H new ATOM 0 HA VAL A 131 16.410 -1.385 -12.374 1.00 0.01 H new ATOM 0 HB VAL A 131 15.104 0.079 -10.881 1.00 0.01 H new ATOM 0 HG11 VAL A 131 12.751 0.604 -11.449 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.869 1.320 -12.633 1.00 0.01 H new ATOM 0 HG13 VAL A 131 12.965 -0.157 -13.044 1.00 0.01 H new ATOM 0 HG21 VAL A 131 13.321 -1.564 -10.341 1.00 0.01 H new ATOM 0 HG22 VAL A 131 13.540 -2.325 -11.935 1.00 0.01 H new ATOM 0 HG23 VAL A 131 14.849 -2.387 -10.732 1.00 0.01 H new ATOM 2053 N VAL A 132 15.102 -2.796 -14.090 1.00 0.01 N ATOM 2054 CA VAL A 132 14.385 -3.539 -15.157 1.00 0.01 C ATOM 2055 C VAL A 132 13.691 -4.711 -14.485 1.00 0.00 C ATOM 2056 O VAL A 132 14.222 -5.793 -14.331 1.00 0.01 O ATOM 2057 CB VAL A 132 15.391 -4.060 -16.186 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.670 -4.953 -17.197 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.032 -2.878 -16.918 1.00 1.98 C ATOM 0 H VAL A 132 15.728 -3.361 -13.516 1.00 0.01 H new ATOM 0 HA VAL A 132 13.668 -2.897 -15.670 1.00 0.01 H new ATOM 0 HB VAL A 132 16.164 -4.636 -15.678 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.386 -5.324 -17.930 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.213 -5.795 -16.678 1.00 1.00 H new ATOM 0 HG13 VAL A 132 13.897 -4.377 -17.705 1.00 1.00 H new ATOM 0 HG21 VAL A 132 16.748 -3.249 -17.651 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.259 -2.302 -17.426 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.546 -2.240 -16.199 1.00 1.98 H new ATOM 2069 N GLU A 133 12.478 -4.475 -14.136 1.00 0.01 N ATOM 2070 CA GLU A 133 11.605 -5.502 -13.508 1.00 0.01 C ATOM 2071 C GLU A 133 10.191 -5.196 -13.991 1.00 0.01 C ATOM 2072 O GLU A 133 9.658 -5.876 -14.844 1.00 0.01 O ATOM 2073 CB GLU A 133 11.678 -5.395 -11.985 1.00 0.00 C ATOM 2074 CG GLU A 133 10.828 -6.499 -11.348 1.00 0.00 C ATOM 2075 CD GLU A 133 11.438 -7.865 -11.667 1.00 0.00 C ATOM 2076 OE1 GLU A 133 12.594 -7.898 -12.058 1.00 0.00 O ATOM 2077 OE2 GLU A 133 10.740 -8.853 -11.516 1.00 0.00 O ATOM 0 H GLU A 133 12.024 -3.570 -14.263 1.00 0.01 H new ATOM 0 HA GLU A 133 11.912 -6.512 -13.779 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.713 -5.483 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.322 -4.417 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.777 -6.355 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.807 -6.449 -11.725 1.00 0.00 H new ATOM 2084 N GLY A 134 9.576 -4.174 -13.455 1.00 0.01 N ATOM 2085 CA GLY A 134 8.195 -3.826 -13.888 1.00 0.01 C ATOM 2086 C GLY A 134 7.464 -3.115 -12.747 1.00 0.01 C ATOM 2087 O GLY A 134 6.922 -2.042 -12.926 1.00 0.01 O ATOM 0 H GLY A 134 9.972 -3.567 -12.737 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.230 -3.183 -14.768 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.654 -4.728 -14.174 1.00 0.01 H new ATOM 2091 N THR A 135 7.425 -3.718 -11.579 1.00 0.01 N ATOM 2092 CA THR A 135 6.706 -3.097 -10.415 1.00 0.01 C ATOM 2093 C THR A 135 7.663 -2.847 -9.233 1.00 0.01 C ATOM 2094 O THR A 135 7.963 -3.740 -8.461 1.00 0.01 O ATOM 2095 CB THR A 135 5.584 -4.045 -9.987 1.00 1.43 C ATOM 2096 OG1 THR A 135 6.139 -5.303 -9.630 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.592 -4.228 -11.140 1.00 2.30 C ATOM 0 H THR A 135 7.862 -4.618 -11.381 1.00 0.01 H new ATOM 0 HA THR A 135 6.300 -2.131 -10.717 1.00 0.01 H new ATOM 0 HB THR A 135 5.061 -3.622 -9.129 1.00 1.43 H new ATOM 0 HG1 THR A 135 6.910 -5.165 -9.042 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.795 -4.904 -10.830 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.165 -3.262 -11.409 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.110 -4.648 -12.002 1.00 2.30 H new ATOM 2105 N TRP A 136 8.120 -1.625 -9.083 1.00 0.01 N ATOM 2106 CA TRP A 136 9.040 -1.256 -7.951 1.00 0.01 C ATOM 2107 C TRP A 136 8.447 -0.022 -7.255 1.00 0.01 C ATOM 2108 O TRP A 136 7.888 0.838 -7.911 1.00 0.00 O ATOM 2109 CB TRP A 136 10.443 -0.926 -8.499 1.00 0.01 C ATOM 2110 CG TRP A 136 11.255 -2.178 -8.621 1.00 0.01 C ATOM 2111 CD1 TRP A 136 10.944 -3.233 -9.407 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.503 -2.523 -7.952 1.00 0.01 C ATOM 2113 NE1 TRP A 136 11.921 -4.203 -9.260 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.902 -3.812 -8.374 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.318 -1.847 -7.028 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.068 -4.410 -7.896 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.491 -2.446 -6.546 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.866 -3.725 -6.978 1.00 0.01 C ATOM 0 H TRP A 136 7.891 -0.852 -9.708 1.00 0.01 H new ATOM 0 HA TRP A 136 9.134 -2.084 -7.249 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.357 -0.442 -9.472 1.00 0.01 H new ATOM 0 HB3 TRP A 136 10.944 -0.221 -7.836 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.076 -3.307 -10.045 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.916 -5.099 -9.748 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.040 -0.861 -6.687 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.351 -5.396 -8.234 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.110 -1.917 -5.836 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.770 -4.180 -6.602 1.00 0.01 H new ATOM 2129 N ILE A 137 8.583 0.110 -5.945 1.00 0.01 N ATOM 2130 CA ILE A 137 8.033 1.324 -5.250 1.00 0.00 C ATOM 2131 C ILE A 137 9.152 2.076 -4.526 1.00 0.01 C ATOM 2132 O ILE A 137 9.988 1.493 -3.864 1.00 0.01 O ATOM 2133 CB ILE A 137 7.009 0.918 -4.186 1.00 0.60 C ATOM 2134 CG1 ILE A 137 5.925 0.025 -4.790 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.360 2.180 -3.615 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.068 -0.571 -3.658 1.00 1.69 C ATOM 0 H ILE A 137 9.047 -0.565 -5.337 1.00 0.01 H new ATOM 0 HA ILE A 137 7.570 1.952 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 137 7.519 0.362 -3.399 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.299 0.603 -5.470 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.380 -0.773 -5.376 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.629 1.902 -2.856 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.126 2.812 -3.166 1.00 1.37 H new ATOM 0 HG23 ILE A 137 5.862 2.727 -4.415 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.294 -1.208 -4.085 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.700 -1.162 -2.996 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.602 0.235 -3.091 1.00 1.69 H new ATOM 2148 N PHE A 138 9.131 3.378 -4.620 1.00 0.01 N ATOM 2149 CA PHE A 138 10.141 4.232 -3.920 1.00 0.01 C ATOM 2150 C PHE A 138 9.384 5.054 -2.880 1.00 0.01 C ATOM 2151 O PHE A 138 8.262 5.443 -3.114 1.00 0.00 O ATOM 2152 CB PHE A 138 10.827 5.133 -4.939 1.00 1.11 C ATOM 2153 CG PHE A 138 11.707 4.262 -5.809 1.00 1.11 C ATOM 2154 CD1 PHE A 138 11.126 3.460 -6.799 1.00 1.54 C ATOM 2155 CD2 PHE A 138 13.093 4.239 -5.616 1.00 1.46 C ATOM 2156 CE1 PHE A 138 11.931 2.639 -7.597 1.00 2.35 C ATOM 2157 CE2 PHE A 138 13.898 3.416 -6.415 1.00 2.01 C ATOM 2158 CZ PHE A 138 13.316 2.617 -7.405 1.00 2.49 C ATOM 0 H PHE A 138 8.443 3.899 -5.163 1.00 0.01 H new ATOM 0 HA PHE A 138 10.911 3.634 -3.433 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.087 5.655 -5.546 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.422 5.895 -4.436 1.00 1.11 H new ATOM 0 HD1 PHE A 138 10.056 3.475 -6.947 1.00 1.54 H new ATOM 0 HD2 PHE A 138 13.542 4.855 -4.851 1.00 1.46 H new ATOM 0 HE1 PHE A 138 11.482 2.022 -8.362 1.00 2.35 H new ATOM 0 HE2 PHE A 138 14.968 3.399 -6.267 1.00 2.01 H new ATOM 0 HZ PHE A 138 13.936 1.983 -8.021 1.00 2.49 H new ATOM 2168 N TYR A 139 9.977 5.318 -1.734 1.00 0.01 N ATOM 2169 CA TYR A 139 9.276 6.115 -0.672 1.00 0.01 C ATOM 2170 C TYR A 139 10.127 7.330 -0.286 1.00 0.01 C ATOM 2171 O TYR A 139 11.346 7.280 -0.298 1.00 0.01 O ATOM 2172 CB TYR A 139 9.050 5.236 0.559 1.00 0.01 C ATOM 2173 CG TYR A 139 8.423 3.926 0.134 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.196 2.961 -0.522 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.070 3.674 0.400 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.620 1.747 -0.914 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.494 2.459 0.007 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.270 1.496 -0.649 1.00 0.02 C ATOM 2179 OH TYR A 139 6.702 0.299 -1.036 1.00 0.00 O ATOM 0 H TYR A 139 10.919 5.014 -1.489 1.00 0.01 H new ATOM 0 HA TYR A 139 8.315 6.459 -1.056 1.00 0.01 H new ATOM 0 HB2 TYR A 139 9.997 5.051 1.066 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.402 5.748 1.271 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.239 3.153 -0.726 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.472 4.416 0.908 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.218 1.004 -1.421 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.451 2.265 0.210 1.00 0.02 H new ATOM 0 HH TYR A 139 5.757 0.286 -0.775 1.00 0.00 H new ATOM 2189 N GLU A 140 9.487 8.433 0.009 1.00 0.01 N ATOM 2190 CA GLU A 140 10.232 9.687 0.332 1.00 0.02 C ATOM 2191 C GLU A 140 10.865 9.632 1.727 1.00 0.01 C ATOM 2192 O GLU A 140 11.874 10.267 1.957 1.00 0.01 O ATOM 2193 CB GLU A 140 9.235 10.844 0.283 1.00 0.01 C ATOM 2194 CG GLU A 140 9.992 12.173 0.347 1.00 0.02 C ATOM 2195 CD GLU A 140 8.993 13.332 0.360 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.019 13.241 1.089 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.220 14.291 -0.359 1.00 0.02 O ATOM 0 H GLU A 140 8.471 8.519 0.040 1.00 0.01 H new ATOM 0 HA GLU A 140 11.038 9.816 -0.390 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.646 10.792 -0.633 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.536 10.771 1.116 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.614 12.206 1.241 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.660 12.265 -0.510 1.00 0.02 H new ATOM 2204 N LEU A 141 10.297 8.907 2.668 1.00 0.01 N ATOM 2205 CA LEU A 141 10.897 8.856 4.046 1.00 0.02 C ATOM 2206 C LEU A 141 11.364 7.416 4.337 1.00 0.01 C ATOM 2207 O LEU A 141 10.842 6.471 3.770 1.00 0.01 O ATOM 2208 CB LEU A 141 9.813 9.270 5.064 1.00 0.57 C ATOM 2209 CG LEU A 141 9.753 10.807 5.188 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.383 11.230 5.726 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.840 11.313 6.150 1.00 1.24 C ATOM 0 H LEU A 141 9.450 8.352 2.543 1.00 0.01 H new ATOM 0 HA LEU A 141 11.750 9.531 4.119 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.843 8.886 4.749 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.030 8.828 6.036 1.00 0.57 H new ATOM 0 HG LEU A 141 9.917 11.237 4.200 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.345 12.316 5.812 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.604 10.893 5.043 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.223 10.783 6.707 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.783 12.399 6.225 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.688 10.873 7.135 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.822 11.027 5.773 1.00 1.24 H new ATOM 2223 N PRO A 142 12.338 7.238 5.215 1.00 0.01 N ATOM 2224 CA PRO A 142 12.843 5.872 5.540 1.00 0.01 C ATOM 2225 C PRO A 142 11.733 4.928 6.016 1.00 0.01 C ATOM 2226 O PRO A 142 10.636 5.329 6.348 1.00 0.01 O ATOM 2227 CB PRO A 142 13.871 6.144 6.661 1.00 0.01 C ATOM 2228 CG PRO A 142 13.811 7.641 7.022 1.00 0.02 C ATOM 2229 CD PRO A 142 13.002 8.365 5.935 1.00 0.01 C ATOM 0 HA PRO A 142 13.265 5.367 4.671 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.648 5.533 7.536 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.874 5.873 6.330 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.345 7.778 7.998 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.816 8.057 7.088 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.276 9.056 6.363 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.643 8.947 5.273 1.00 0.01 H new ATOM 2237 N ASN A 143 12.060 3.668 6.067 1.00 0.01 N ATOM 2238 CA ASN A 143 11.098 2.634 6.538 1.00 0.01 C ATOM 2239 C ASN A 143 9.839 2.606 5.669 1.00 0.01 C ATOM 2240 O ASN A 143 8.763 2.264 6.120 1.00 0.01 O ATOM 2241 CB ASN A 143 10.703 2.939 7.985 1.00 0.23 C ATOM 2242 CG ASN A 143 11.951 3.310 8.787 1.00 0.11 C ATOM 2243 OD1 ASN A 143 12.192 4.471 9.057 1.00 0.75 O ATOM 2244 ND2 ASN A 143 12.760 2.367 9.183 1.00 0.56 N ATOM 0 H ASN A 143 12.973 3.304 5.796 1.00 0.01 H new ATOM 0 HA ASN A 143 11.582 1.660 6.470 1.00 0.01 H new ATOM 0 HB2 ASN A 143 9.984 3.758 8.012 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.216 2.072 8.431 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.595 2.603 9.719 1.00 0.56 H new ATOM 0 HD22 ASN A 143 12.558 1.393 8.957 1.00 0.56 H new ATOM 2251 N TYR A 144 9.980 2.925 4.412 1.00 0.01 N ATOM 2252 CA TYR A 144 8.820 2.880 3.476 1.00 0.02 C ATOM 2253 C TYR A 144 7.680 3.789 3.961 1.00 0.01 C ATOM 2254 O TYR A 144 6.545 3.367 4.063 1.00 0.01 O ATOM 2255 CB TYR A 144 8.322 1.426 3.366 1.00 0.01 C ATOM 2256 CG TYR A 144 9.492 0.483 3.562 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.557 0.494 2.651 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.520 -0.391 4.659 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.647 -0.367 2.836 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.610 -1.250 4.843 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.674 -1.238 3.933 1.00 0.01 C ATOM 2262 OH TYR A 144 12.746 -2.086 4.114 1.00 0.01 O ATOM 0 H TYR A 144 10.860 3.219 3.988 1.00 0.01 H new ATOM 0 HA TYR A 144 9.142 3.241 2.499 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.555 1.234 4.116 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.864 1.259 2.391 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.538 1.166 1.806 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.700 -0.401 5.362 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.467 -0.359 2.133 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.630 -1.923 5.688 1.00 0.01 H new ATOM 0 HH TYR A 144 12.607 -2.622 4.923 1.00 0.01 H new ATOM 2272 N ARG A 145 7.978 5.034 4.258 1.00 0.02 N ATOM 2273 CA ARG A 145 6.913 5.981 4.738 1.00 0.01 C ATOM 2274 C ARG A 145 6.915 7.253 3.883 1.00 0.01 C ATOM 2275 O ARG A 145 7.848 7.515 3.149 1.00 0.01 O ATOM 2276 CB ARG A 145 7.194 6.361 6.194 1.00 0.01 C ATOM 2277 CG ARG A 145 6.943 5.150 7.095 1.00 0.02 C ATOM 2278 CD ARG A 145 7.094 5.565 8.560 1.00 0.01 C ATOM 2279 NE ARG A 145 8.504 5.971 8.818 1.00 0.01 N ATOM 2280 CZ ARG A 145 8.803 6.636 9.900 1.00 0.01 C ATOM 2281 NH1 ARG A 145 7.867 6.952 10.753 1.00 0.02 N ATOM 2282 NH2 ARG A 145 10.039 6.986 10.129 1.00 0.01 N ATOM 0 H ARG A 145 8.913 5.437 4.189 1.00 0.02 H new ATOM 0 HA ARG A 145 5.942 5.493 4.657 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.225 6.699 6.300 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.554 7.190 6.495 1.00 0.01 H new ATOM 0 HG2 ARG A 145 5.943 4.754 6.919 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.648 4.354 6.857 1.00 0.02 H new ATOM 0 HD2 ARG A 145 6.419 6.391 8.787 1.00 0.01 H new ATOM 0 HD3 ARG A 145 6.817 4.738 9.214 1.00 0.01 H new ATOM 0 HE ARG A 145 9.235 5.729 8.149 1.00 0.01 H new ATOM 0 HH11 ARG A 145 6.901 6.679 10.574 1.00 0.02 H new ATOM 0 HH12 ARG A 145 8.102 7.472 11.599 1.00 0.02 H new ATOM 0 HH21 ARG A 145 10.771 6.740 9.462 1.00 0.01 H new ATOM 0 HH22 ARG A 145 10.274 7.506 10.975 1.00 0.01 H new ATOM 2296 N GLY A 146 5.870 8.043 3.963 1.00 0.01 N ATOM 2297 CA GLY A 146 5.801 9.301 3.156 1.00 0.02 C ATOM 2298 C GLY A 146 5.161 9.026 1.791 1.00 0.01 C ATOM 2299 O GLY A 146 4.561 7.992 1.567 1.00 0.02 O ATOM 0 H GLY A 146 5.059 7.868 4.556 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.221 10.053 3.692 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.803 9.708 3.020 1.00 0.02 H new ATOM 2303 N ARG A 147 5.289 9.953 0.880 1.00 0.01 N ATOM 2304 CA ARG A 147 4.696 9.770 -0.478 1.00 0.01 C ATOM 2305 C ARG A 147 5.469 8.680 -1.211 1.00 0.01 C ATOM 2306 O ARG A 147 6.669 8.538 -1.064 1.00 0.01 O ATOM 2307 CB ARG A 147 4.801 11.083 -1.256 1.00 0.01 C ATOM 2308 CG ARG A 147 3.991 10.975 -2.550 1.00 0.01 C ATOM 2309 CD ARG A 147 4.103 12.284 -3.332 1.00 0.01 C ATOM 2310 NE ARG A 147 3.420 12.136 -4.648 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.133 13.193 -5.357 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.446 14.379 -4.914 1.00 0.01 N ATOM 2313 NH2 ARG A 147 2.534 13.064 -6.509 1.00 0.02 N ATOM 0 H ARG A 147 5.782 10.835 1.019 1.00 0.01 H new ATOM 0 HA ARG A 147 3.648 9.484 -0.392 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.429 11.908 -0.649 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.844 11.300 -1.484 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.359 10.146 -3.154 1.00 0.01 H new ATOM 0 HG3 ARG A 147 2.946 10.764 -2.321 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.652 13.098 -2.765 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.151 12.542 -3.481 1.00 0.01 H new ATOM 0 HE ARG A 147 3.177 11.208 -4.995 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.915 14.480 -4.014 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.222 15.206 -5.468 1.00 0.01 H new ATOM 0 HH21 ARG A 147 2.290 12.136 -6.856 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.310 13.891 -7.063 1.00 0.02 H new ATOM 2327 N GLN A 148 4.765 7.879 -1.977 1.00 0.01 N ATOM 2328 CA GLN A 148 5.408 6.745 -2.708 1.00 0.01 C ATOM 2329 C GLN A 148 5.322 6.977 -4.224 1.00 0.01 C ATOM 2330 O GLN A 148 4.386 7.571 -4.720 1.00 0.01 O ATOM 2331 CB GLN A 148 4.637 5.466 -2.346 1.00 0.00 C ATOM 2332 CG GLN A 148 4.210 5.525 -0.876 1.00 0.02 C ATOM 2333 CD GLN A 148 3.750 4.140 -0.422 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.704 3.163 -1.287 1.00 0.02 O flip ATOM 2335 NE2 GLN A 148 3.425 3.943 0.733 1.00 0.01 N flip ATOM 0 H GLN A 148 3.760 7.966 -2.127 1.00 0.01 H new ATOM 0 HA GLN A 148 6.458 6.663 -2.429 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.761 5.363 -2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.263 4.590 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.042 5.864 -0.258 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.403 6.247 -0.749 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.460 4.705 1.410 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.117 3.016 1.025 1.00 0.01 H new ATOM 2344 N TYR A 149 6.296 6.493 -4.957 1.00 0.01 N ATOM 2345 CA TYR A 149 6.299 6.650 -6.448 1.00 0.01 C ATOM 2346 C TYR A 149 6.426 5.269 -7.099 1.00 0.01 C ATOM 2347 O TYR A 149 7.227 4.457 -6.679 1.00 0.01 O ATOM 2348 CB TYR A 149 7.480 7.530 -6.868 1.00 0.01 C ATOM 2349 CG TYR A 149 7.540 8.746 -5.975 1.00 0.01 C ATOM 2350 CD1 TYR A 149 8.146 8.660 -4.717 1.00 0.01 C ATOM 2351 CD2 TYR A 149 6.984 9.959 -6.404 1.00 0.01 C ATOM 2352 CE1 TYR A 149 8.199 9.787 -3.887 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.038 11.084 -5.574 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.644 10.999 -4.315 1.00 0.01 C ATOM 2355 OH TYR A 149 7.695 12.110 -3.499 1.00 0.01 O ATOM 0 H TYR A 149 7.100 5.989 -4.581 1.00 0.01 H new ATOM 0 HA TYR A 149 5.370 7.121 -6.770 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.411 6.967 -6.798 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.369 7.834 -7.909 1.00 0.01 H new ATOM 0 HD1 TYR A 149 8.573 7.725 -4.386 1.00 0.01 H new ATOM 0 HD2 TYR A 149 6.514 10.025 -7.374 1.00 0.01 H new ATOM 0 HE1 TYR A 149 8.668 9.721 -2.916 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.612 12.019 -5.905 1.00 0.01 H new ATOM 0 HH TYR A 149 7.265 12.867 -3.949 1.00 0.01 H new ATOM 2365 N LEU A 150 5.644 4.982 -8.112 1.00 0.01 N ATOM 2366 CA LEU A 150 5.723 3.638 -8.773 1.00 0.01 C ATOM 2367 C LEU A 150 6.544 3.762 -10.059 1.00 0.01 C ATOM 2368 O LEU A 150 6.204 4.524 -10.942 1.00 0.01 O ATOM 2369 CB LEU A 150 4.291 3.177 -9.096 1.00 0.01 C ATOM 2370 CG LEU A 150 4.273 1.686 -9.544 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.984 1.012 -9.061 1.00 0.01 C ATOM 2372 CD2 LEU A 150 4.333 1.585 -11.076 1.00 0.01 C ATOM 0 H LEU A 150 4.954 5.619 -8.510 1.00 0.01 H new ATOM 0 HA LEU A 150 6.203 2.910 -8.119 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.657 3.304 -8.218 1.00 0.01 H new ATOM 0 HB3 LEU A 150 3.873 3.803 -9.885 1.00 0.01 H new ATOM 0 HG LEU A 150 5.141 1.189 -9.111 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.978 -0.031 -9.378 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.933 1.061 -7.973 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.123 1.526 -9.488 1.00 0.01 H new ATOM 0 HD21 LEU A 150 4.320 0.536 -11.372 1.00 0.01 H new ATOM 0 HD22 LEU A 150 3.472 2.095 -11.508 1.00 0.01 H new ATOM 0 HD23 LEU A 150 5.250 2.052 -11.436 1.00 0.01 H new ATOM 2384 N LEU A 151 7.610 3.009 -10.188 1.00 0.01 N ATOM 2385 CA LEU A 151 8.435 3.076 -11.440 1.00 0.01 C ATOM 2386 C LEU A 151 8.011 1.931 -12.369 1.00 0.01 C ATOM 2387 O LEU A 151 7.356 0.996 -11.954 1.00 0.01 O ATOM 2388 CB LEU A 151 9.936 2.947 -11.082 1.00 0.01 C ATOM 2389 CG LEU A 151 10.599 4.336 -11.033 1.00 0.01 C ATOM 2390 CD1 LEU A 151 9.993 5.156 -9.890 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.106 4.174 -10.812 1.00 0.01 C ATOM 0 H LEU A 151 7.945 2.352 -9.484 1.00 0.01 H new ATOM 0 HA LEU A 151 8.279 4.031 -11.942 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.045 2.451 -10.117 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.440 2.323 -11.820 1.00 0.01 H new ATOM 0 HG LEU A 151 10.426 4.855 -11.976 1.00 0.01 H new ATOM 0 HD11 LEU A 151 10.464 6.138 -9.858 1.00 0.01 H new ATOM 0 HD12 LEU A 151 8.922 5.272 -10.054 1.00 0.01 H new ATOM 0 HD13 LEU A 151 10.161 4.641 -8.944 1.00 0.01 H new ATOM 0 HD21 LEU A 151 12.576 5.157 -10.777 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.282 3.654 -9.870 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.534 3.596 -11.631 1.00 0.01 H new ATOM 2403 N ASP A 152 8.382 2.003 -13.625 1.00 0.01 N ATOM 2404 CA ASP A 152 8.008 0.928 -14.599 1.00 0.01 C ATOM 2405 C ASP A 152 9.249 0.108 -14.957 1.00 0.00 C ATOM 2406 O ASP A 152 9.680 -0.743 -14.204 1.00 0.01 O ATOM 2407 CB ASP A 152 7.446 1.571 -15.869 1.00 1.04 C ATOM 2408 CG ASP A 152 6.047 2.122 -15.585 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.140 1.325 -15.416 1.00 2.27 O ATOM 2410 OD2 ASP A 152 5.907 3.333 -15.542 1.00 1.57 O ATOM 0 H ASP A 152 8.932 2.766 -14.020 1.00 0.01 H new ATOM 0 HA ASP A 152 7.257 0.277 -14.151 1.00 0.01 H new ATOM 0 HB2 ASP A 152 8.103 2.373 -16.205 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.403 0.836 -16.673 1.00 1.04 H new ATOM 2415 N LYS A 153 9.827 0.354 -16.102 1.00 0.01 N ATOM 2416 CA LYS A 153 11.037 -0.418 -16.503 1.00 0.01 C ATOM 2417 C LYS A 153 11.620 0.172 -17.789 1.00 0.01 C ATOM 2418 O LYS A 153 11.989 -0.547 -18.697 1.00 0.01 O ATOM 2419 CB LYS A 153 10.650 -1.877 -16.744 1.00 0.38 C ATOM 2420 CG LYS A 153 9.479 -1.936 -17.727 1.00 0.71 C ATOM 2421 CD LYS A 153 9.111 -3.396 -17.999 1.00 0.72 C ATOM 2422 CE LYS A 153 8.122 -3.463 -19.163 1.00 1.09 C ATOM 2423 NZ LYS A 153 6.998 -2.516 -18.914 1.00 1.84 N ATOM 0 H LYS A 153 9.514 1.054 -16.775 1.00 0.01 H new ATOM 0 HA LYS A 153 11.782 -0.363 -15.709 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.501 -2.430 -17.142 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.373 -2.352 -15.803 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.620 -1.404 -17.318 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.748 -1.438 -18.659 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.007 -3.970 -18.235 1.00 0.72 H new ATOM 0 HD3 LYS A 153 8.671 -3.844 -17.108 1.00 0.72 H new ATOM 0 HE2 LYS A 153 8.625 -3.210 -20.097 1.00 1.09 H new ATOM 0 HE3 LYS A 153 7.740 -4.478 -19.272 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 6.192 -2.767 -19.521 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 6.711 -2.573 -17.916 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 7.306 -1.547 -19.131 1.00 1.84 H new ATOM 2437 N LYS A 154 11.704 1.476 -17.871 1.00 0.00 N ATOM 2438 CA LYS A 154 12.263 2.139 -19.093 1.00 0.01 C ATOM 2439 C LYS A 154 13.591 2.811 -18.742 1.00 0.01 C ATOM 2440 O LYS A 154 14.252 2.440 -17.793 1.00 0.00 O ATOM 2441 CB LYS A 154 11.274 3.198 -19.591 1.00 0.39 C ATOM 2442 CG LYS A 154 9.857 2.618 -19.598 1.00 0.48 C ATOM 2443 CD LYS A 154 9.809 1.379 -20.498 1.00 0.97 C ATOM 2444 CE LYS A 154 8.353 1.039 -20.827 1.00 1.44 C ATOM 2445 NZ LYS A 154 8.300 -0.265 -21.549 1.00 2.28 N ATOM 0 H LYS A 154 11.406 2.118 -17.136 1.00 0.00 H new ATOM 0 HA LYS A 154 12.425 1.394 -19.872 1.00 0.01 H new ATOM 0 HB2 LYS A 154 11.314 4.078 -18.949 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.549 3.523 -20.594 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.557 2.354 -18.584 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.149 3.366 -19.955 1.00 0.48 H new ATOM 0 HD2 LYS A 154 10.367 1.562 -21.416 1.00 0.97 H new ATOM 0 HD3 LYS A 154 10.286 0.536 -19.999 1.00 0.97 H new ATOM 0 HE2 LYS A 154 7.765 0.984 -19.911 1.00 1.44 H new ATOM 0 HE3 LYS A 154 7.914 1.825 -21.441 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 7.312 -0.498 -21.773 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 8.848 -0.196 -22.430 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 8.703 -1.011 -20.948 1.00 2.28 H new ATOM 2459 N GLU A 155 13.985 3.801 -19.504 1.00 0.01 N ATOM 2460 CA GLU A 155 15.272 4.516 -19.230 1.00 0.01 C ATOM 2461 C GLU A 155 14.966 5.899 -18.653 1.00 0.01 C ATOM 2462 O GLU A 155 14.502 6.782 -19.345 1.00 0.01 O ATOM 2463 CB GLU A 155 16.048 4.671 -20.541 1.00 0.01 C ATOM 2464 CG GLU A 155 16.043 3.343 -21.299 1.00 0.01 C ATOM 2465 CD GLU A 155 17.047 3.404 -22.451 1.00 0.01 C ATOM 2466 OE1 GLU A 155 18.194 3.730 -22.194 1.00 0.01 O ATOM 2467 OE2 GLU A 155 16.653 3.122 -23.571 1.00 0.01 O ATOM 0 H GLU A 155 13.466 4.148 -20.311 1.00 0.01 H new ATOM 0 HA GLU A 155 15.868 3.947 -18.517 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.597 5.452 -21.153 1.00 0.01 H new ATOM 0 HB3 GLU A 155 17.073 4.980 -20.335 1.00 0.01 H new ATOM 0 HG2 GLU A 155 16.299 2.527 -20.624 1.00 0.01 H new ATOM 0 HG3 GLU A 155 15.044 3.137 -21.684 1.00 0.01 H new ATOM 2474 N TYR A 156 15.219 6.091 -17.383 1.00 0.00 N ATOM 2475 CA TYR A 156 14.940 7.415 -16.744 1.00 0.01 C ATOM 2476 C TYR A 156 16.236 8.225 -16.658 1.00 0.01 C ATOM 2477 O TYR A 156 17.167 7.847 -15.975 1.00 0.01 O ATOM 2478 CB TYR A 156 14.368 7.179 -15.346 1.00 0.01 C ATOM 2479 CG TYR A 156 13.255 6.161 -15.431 1.00 0.00 C ATOM 2480 CD1 TYR A 156 11.972 6.557 -15.827 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.506 4.820 -15.111 1.00 0.01 C ATOM 2482 CE1 TYR A 156 10.940 5.614 -15.905 1.00 0.01 C ATOM 2483 CE2 TYR A 156 12.474 3.877 -15.188 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.191 4.274 -15.584 1.00 0.01 C ATOM 2485 OH TYR A 156 10.175 3.346 -15.660 1.00 0.01 O ATOM 0 H TYR A 156 15.608 5.385 -16.758 1.00 0.00 H new ATOM 0 HA TYR A 156 14.218 7.974 -17.340 1.00 0.01 H new ATOM 0 HB2 TYR A 156 15.150 6.825 -14.675 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.991 8.114 -14.931 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.778 7.591 -16.073 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.495 4.514 -14.805 1.00 0.01 H new ATOM 0 HE1 TYR A 156 9.951 5.920 -16.213 1.00 0.01 H new ATOM 0 HE2 TYR A 156 12.668 2.843 -14.942 1.00 0.01 H new ATOM 0 HH TYR A 156 9.887 3.252 -16.592 1.00 0.01 H new ATOM 2495 N ARG A 157 16.323 9.315 -17.378 1.00 0.01 N ATOM 2496 CA ARG A 157 17.584 10.120 -17.371 1.00 0.01 C ATOM 2497 C ARG A 157 17.520 11.260 -16.348 1.00 0.00 C ATOM 2498 O ARG A 157 18.545 11.743 -15.906 1.00 0.01 O ATOM 2499 CB ARG A 157 17.801 10.715 -18.763 1.00 0.01 C ATOM 2500 CG ARG A 157 17.695 9.607 -19.812 1.00 0.01 C ATOM 2501 CD ARG A 157 18.053 10.170 -21.188 1.00 0.00 C ATOM 2502 NE ARG A 157 18.099 9.061 -22.182 1.00 0.01 N ATOM 2503 CZ ARG A 157 18.088 9.330 -23.460 1.00 0.01 C ATOM 2504 NH1 ARG A 157 18.040 10.568 -23.866 1.00 0.01 N ATOM 2505 NH2 ARG A 157 18.128 8.359 -24.330 1.00 0.01 N ATOM 0 H ARG A 157 15.577 9.682 -17.969 1.00 0.01 H new ATOM 0 HA ARG A 157 18.407 9.461 -17.096 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.059 11.489 -18.959 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.780 11.191 -18.818 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.365 8.786 -19.558 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.684 9.200 -19.826 1.00 0.01 H new ATOM 0 HD2 ARG A 157 17.316 10.914 -21.491 1.00 0.00 H new ATOM 0 HD3 ARG A 157 19.018 10.675 -21.146 1.00 0.00 H new ATOM 0 HE ARG A 157 18.139 8.092 -21.865 1.00 0.01 H new ATOM 0 HH11 ARG A 157 18.011 11.327 -23.185 1.00 0.01 H new ATOM 0 HH12 ARG A 157 18.031 10.777 -24.864 1.00 0.01 H new ATOM 0 HH21 ARG A 157 18.168 7.391 -24.012 1.00 0.01 H new ATOM 0 HH22 ARG A 157 18.119 8.568 -25.328 1.00 0.01 H new ATOM 2519 N LYS A 158 16.343 11.700 -15.959 1.00 0.01 N ATOM 2520 CA LYS A 158 16.234 12.811 -14.953 1.00 0.01 C ATOM 2521 C LYS A 158 15.305 12.356 -13.810 1.00 0.01 C ATOM 2522 O LYS A 158 14.445 11.526 -14.020 1.00 0.01 O ATOM 2523 CB LYS A 158 15.631 14.044 -15.648 1.00 0.58 C ATOM 2524 CG LYS A 158 16.731 14.818 -16.378 1.00 0.97 C ATOM 2525 CD LYS A 158 16.106 15.964 -17.173 1.00 1.44 C ATOM 2526 CE LYS A 158 17.206 16.743 -17.896 1.00 2.13 C ATOM 2527 NZ LYS A 158 17.777 15.899 -18.983 1.00 2.54 N ATOM 0 H LYS A 158 15.451 11.337 -16.295 1.00 0.01 H new ATOM 0 HA LYS A 158 17.215 13.059 -14.549 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.861 13.734 -16.355 1.00 0.58 H new ATOM 0 HB3 LYS A 158 15.148 14.687 -14.913 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.452 15.210 -15.661 1.00 0.97 H new ATOM 0 HG3 LYS A 158 17.276 14.152 -17.047 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.389 15.572 -17.894 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.556 16.626 -16.505 1.00 1.44 H new ATOM 0 HE2 LYS A 158 16.801 17.665 -18.312 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.988 17.027 -17.192 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 18.304 16.500 -19.648 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 18.419 15.191 -18.572 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 17.007 15.416 -19.488 1.00 2.54 H new ATOM 2541 N PRO A 159 15.433 12.903 -12.618 1.00 0.01 N ATOM 2542 CA PRO A 159 14.521 12.507 -11.505 1.00 0.02 C ATOM 2543 C PRO A 159 13.061 12.825 -11.865 1.00 0.01 C ATOM 2544 O PRO A 159 12.161 12.075 -11.540 1.00 0.01 O ATOM 2545 CB PRO A 159 15.031 13.369 -10.330 1.00 0.41 C ATOM 2546 CG PRO A 159 16.054 14.382 -10.885 1.00 0.70 C ATOM 2547 CD PRO A 159 16.465 13.928 -12.294 1.00 0.28 C ATOM 0 HA PRO A 159 14.530 11.441 -11.278 1.00 0.02 H new ATOM 0 HB2 PRO A 159 14.201 13.890 -9.852 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.493 12.740 -9.569 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.619 15.381 -10.919 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.926 14.436 -10.234 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.454 14.754 -13.005 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.471 13.509 -12.308 1.00 0.28 H new ATOM 2555 N VAL A 160 12.812 13.921 -12.524 1.00 0.01 N ATOM 2556 CA VAL A 160 11.408 14.263 -12.887 1.00 0.02 C ATOM 2557 C VAL A 160 10.839 13.167 -13.790 1.00 0.02 C ATOM 2558 O VAL A 160 9.640 13.027 -13.927 1.00 0.02 O ATOM 2559 CB VAL A 160 11.389 15.601 -13.628 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.965 15.909 -14.091 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.871 16.709 -12.687 1.00 0.74 C ATOM 0 H VAL A 160 13.517 14.593 -12.827 1.00 0.01 H new ATOM 0 HA VAL A 160 10.802 14.340 -11.984 1.00 0.02 H new ATOM 0 HB VAL A 160 12.047 15.546 -14.495 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.952 16.863 -14.619 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.621 15.120 -14.759 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.305 15.965 -13.225 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.858 17.664 -13.213 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.212 16.763 -11.821 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.886 16.490 -12.357 1.00 0.74 H new ATOM 2571 N ASP A 161 11.679 12.388 -14.411 1.00 0.00 N ATOM 2572 CA ASP A 161 11.152 11.314 -15.295 1.00 0.01 C ATOM 2573 C ASP A 161 10.385 10.278 -14.463 1.00 0.01 C ATOM 2574 O ASP A 161 9.626 9.488 -14.990 1.00 0.01 O ATOM 2575 CB ASP A 161 12.312 10.628 -16.018 1.00 0.00 C ATOM 2576 CG ASP A 161 13.072 11.655 -16.859 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.637 12.794 -16.903 1.00 0.00 O ATOM 2578 OD2 ASP A 161 14.077 11.286 -17.442 1.00 0.00 O ATOM 0 H ASP A 161 12.695 12.447 -14.346 1.00 0.00 H new ATOM 0 HA ASP A 161 10.476 11.757 -16.027 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.984 10.168 -15.294 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.934 9.829 -16.656 1.00 0.00 H new ATOM 2583 N TRP A 162 10.556 10.289 -13.160 1.00 0.01 N ATOM 2584 CA TRP A 162 9.808 9.318 -12.293 1.00 0.01 C ATOM 2585 C TRP A 162 8.571 10.011 -11.714 1.00 0.01 C ATOM 2586 O TRP A 162 7.911 9.481 -10.843 1.00 0.01 O ATOM 2587 CB TRP A 162 10.678 8.848 -11.123 1.00 0.01 C ATOM 2588 CG TRP A 162 11.967 8.275 -11.620 1.00 0.02 C ATOM 2589 CD1 TRP A 162 12.095 7.404 -12.647 1.00 0.01 C ATOM 2590 CD2 TRP A 162 13.313 8.510 -11.113 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.435 7.095 -12.805 1.00 0.01 N ATOM 2592 CE2 TRP A 162 14.224 7.754 -11.885 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.824 9.303 -10.071 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.595 7.780 -11.632 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 15.204 9.332 -9.813 1.00 0.01 C ATOM 2596 CH2 TRP A 162 16.087 8.574 -10.593 1.00 0.01 C ATOM 0 H TRP A 162 11.178 10.925 -12.661 1.00 0.01 H new ATOM 0 HA TRP A 162 9.528 8.460 -12.904 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.880 9.685 -10.454 1.00 0.01 H new ATOM 0 HB3 TRP A 162 10.141 8.098 -10.542 1.00 0.01 H new ATOM 0 HD1 TRP A 162 11.285 7.014 -13.245 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.795 6.458 -13.515 1.00 0.01 H new ATOM 0 HE3 TRP A 162 13.152 9.893 -9.466 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 16.271 7.191 -12.234 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.587 9.942 -9.008 1.00 0.01 H new ATOM 0 HH2 TRP A 162 17.148 8.603 -10.391 1.00 0.01 H new ATOM 2607 N GLY A 163 8.226 11.169 -12.205 1.00 0.02 N ATOM 2608 CA GLY A 163 7.004 11.858 -11.694 1.00 0.01 C ATOM 2609 C GLY A 163 7.289 12.581 -10.376 1.00 0.01 C ATOM 2610 O GLY A 163 6.385 13.021 -9.693 1.00 0.01 O ATOM 0 H GLY A 163 8.734 11.668 -12.935 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.650 12.574 -12.436 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.207 11.130 -11.548 1.00 0.01 H new ATOM 2614 N ALA A 164 8.537 12.692 -9.998 1.00 0.01 N ATOM 2615 CA ALA A 164 8.879 13.367 -8.706 1.00 0.02 C ATOM 2616 C ALA A 164 9.320 14.808 -8.969 1.00 0.01 C ATOM 2617 O ALA A 164 10.017 15.098 -9.920 1.00 0.02 O ATOM 2618 CB ALA A 164 10.047 12.621 -8.060 1.00 0.01 C ATOM 0 H ALA A 164 9.336 12.344 -10.528 1.00 0.01 H new ATOM 0 HA ALA A 164 8.004 13.364 -8.056 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.308 13.101 -7.117 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.759 11.586 -7.873 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.907 12.643 -8.729 1.00 0.01 H new ATOM 2624 N ALA A 165 8.911 15.710 -8.117 1.00 0.02 N ATOM 2625 CA ALA A 165 9.291 17.141 -8.283 1.00 0.01 C ATOM 2626 C ALA A 165 10.658 17.397 -7.647 1.00 0.02 C ATOM 2627 O ALA A 165 11.236 18.453 -7.812 1.00 0.01 O ATOM 2628 CB ALA A 165 8.252 18.036 -7.602 1.00 0.59 C ATOM 0 H ALA A 165 8.324 15.513 -7.306 1.00 0.02 H new ATOM 0 HA ALA A 165 9.335 17.369 -9.348 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.535 19.081 -7.726 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.275 17.868 -8.054 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.206 17.797 -6.540 1.00 0.59 H new ATOM 2634 N SER A 166 11.191 16.440 -6.926 1.00 0.01 N ATOM 2635 CA SER A 166 12.531 16.627 -6.285 1.00 0.01 C ATOM 2636 C SER A 166 13.301 15.292 -6.332 1.00 0.02 C ATOM 2637 O SER A 166 12.694 14.241 -6.291 1.00 0.01 O ATOM 2638 CB SER A 166 12.335 17.048 -4.827 1.00 0.72 C ATOM 2639 OG SER A 166 11.329 18.050 -4.758 1.00 0.87 O ATOM 0 H SER A 166 10.754 15.535 -6.753 1.00 0.01 H new ATOM 0 HA SER A 166 13.093 17.395 -6.816 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.049 16.187 -4.223 1.00 0.72 H new ATOM 0 HB3 SER A 166 13.271 17.427 -4.417 1.00 0.72 H new ATOM 0 HG SER A 166 11.200 18.321 -3.825 1.00 0.87 H new ATOM 2645 N PRO A 167 14.622 15.305 -6.399 1.00 0.02 N ATOM 2646 CA PRO A 167 15.394 14.027 -6.426 1.00 0.01 C ATOM 2647 C PRO A 167 15.458 13.361 -5.043 1.00 0.01 C ATOM 2648 O PRO A 167 16.313 12.531 -4.787 1.00 0.01 O ATOM 2649 CB PRO A 167 16.786 14.513 -6.854 1.00 0.38 C ATOM 2650 CG PRO A 167 16.876 16.003 -6.501 1.00 0.35 C ATOM 2651 CD PRO A 167 15.442 16.556 -6.463 1.00 0.22 C ATOM 0 HA PRO A 167 14.954 13.273 -7.079 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.565 13.949 -6.341 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.934 14.362 -7.923 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.365 16.140 -5.537 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.473 16.537 -7.240 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.276 17.197 -5.597 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.211 17.149 -7.348 1.00 0.22 H new ATOM 2659 N ALA A 168 14.595 13.738 -4.134 1.00 0.01 N ATOM 2660 CA ALA A 168 14.665 13.142 -2.768 1.00 0.01 C ATOM 2661 C ALA A 168 13.964 11.781 -2.712 1.00 0.01 C ATOM 2662 O ALA A 168 12.795 11.638 -3.014 1.00 0.02 O ATOM 2663 CB ALA A 168 13.982 14.084 -1.775 1.00 0.18 C ATOM 0 H ALA A 168 13.854 14.424 -4.277 1.00 0.01 H new ATOM 0 HA ALA A 168 15.716 13.002 -2.514 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.029 13.654 -0.774 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.490 15.049 -1.780 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.939 14.221 -2.062 1.00 0.18 H new ATOM 2669 N ILE A 169 14.707 10.789 -2.302 1.00 0.01 N ATOM 2670 CA ILE A 169 14.168 9.403 -2.178 1.00 0.01 C ATOM 2671 C ILE A 169 14.947 8.727 -1.045 1.00 0.01 C ATOM 2672 O ILE A 169 16.163 8.745 -1.037 1.00 0.01 O ATOM 2673 CB ILE A 169 14.371 8.645 -3.513 1.00 1.81 C ATOM 2674 CG1 ILE A 169 14.351 9.641 -4.689 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.247 7.620 -3.698 1.00 2.24 C ATOM 2676 CD1 ILE A 169 14.573 8.899 -6.011 1.00 3.99 C ATOM 0 H ILE A 169 15.689 10.883 -2.042 1.00 0.01 H new ATOM 0 HA ILE A 169 13.100 9.405 -1.959 1.00 0.01 H new ATOM 0 HB ILE A 169 15.333 8.133 -3.489 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.397 10.167 -4.714 1.00 2.75 H new ATOM 0 HG13 ILE A 169 15.127 10.394 -4.551 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.391 7.087 -4.638 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.263 6.909 -2.872 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.286 8.133 -3.716 1.00 2.24 H new ATOM 0 HD11 ILE A 169 14.557 9.612 -6.835 1.00 3.99 H new ATOM 0 HD12 ILE A 169 15.538 8.394 -5.987 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.782 8.163 -6.152 1.00 3.99 H new ATOM 2688 N GLN A 170 14.268 8.177 -0.058 1.00 0.01 N ATOM 2689 CA GLN A 170 14.982 7.555 1.108 1.00 0.01 C ATOM 2690 C GLN A 170 14.817 6.026 1.170 1.00 0.02 C ATOM 2691 O GLN A 170 15.579 5.375 1.856 1.00 0.01 O ATOM 2692 CB GLN A 170 14.441 8.177 2.405 1.00 2.62 C ATOM 2693 CG GLN A 170 15.050 9.572 2.615 1.00 3.39 C ATOM 2694 CD GLN A 170 14.926 10.399 1.331 1.00 4.36 C ATOM 2695 OE1 GLN A 170 13.878 10.438 0.718 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.958 11.068 0.895 1.00 5.17 N ATOM 0 H GLN A 170 13.250 8.133 -0.011 1.00 0.01 H new ATOM 0 HA GLN A 170 16.047 7.754 0.985 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.354 8.249 2.357 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.681 7.535 3.253 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.541 10.080 3.434 1.00 3.39 H new ATOM 0 HG3 GLN A 170 16.099 9.481 2.898 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.839 11.037 1.408 1.00 5.17 H new ATOM 0 HE22 GLN A 170 15.883 11.622 0.042 1.00 5.17 H new ATOM 2705 N SER A 171 13.876 5.407 0.495 1.00 0.01 N ATOM 2706 CA SER A 171 13.789 3.910 0.613 1.00 0.01 C ATOM 2707 C SER A 171 13.066 3.323 -0.605 1.00 0.01 C ATOM 2708 O SER A 171 12.347 4.007 -1.304 1.00 0.01 O ATOM 2709 CB SER A 171 13.021 3.545 1.888 1.00 0.01 C ATOM 2710 OG SER A 171 11.636 3.449 1.590 1.00 0.02 O ATOM 0 H SER A 171 13.187 5.851 -0.112 1.00 0.01 H new ATOM 0 HA SER A 171 14.797 3.498 0.658 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.385 2.598 2.287 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.188 4.300 2.656 1.00 0.01 H new ATOM 0 HG SER A 171 11.261 2.658 2.031 1.00 0.02 H new ATOM 2716 N PHE A 172 13.239 2.044 -0.856 1.00 0.01 N ATOM 2717 CA PHE A 172 12.543 1.411 -2.020 1.00 0.01 C ATOM 2718 C PHE A 172 12.308 -0.081 -1.759 1.00 0.01 C ATOM 2719 O PHE A 172 13.029 -0.722 -1.015 1.00 0.01 O ATOM 2720 CB PHE A 172 13.367 1.602 -3.299 1.00 1.06 C ATOM 2721 CG PHE A 172 14.651 0.803 -3.230 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.635 -0.578 -3.466 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.861 1.448 -2.945 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.826 -1.311 -3.413 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.052 0.715 -2.895 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.034 -0.666 -3.128 1.00 1.92 C ATOM 0 H PHE A 172 13.828 1.417 -0.308 1.00 0.01 H new ATOM 0 HA PHE A 172 11.576 1.896 -2.150 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.783 1.288 -4.164 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.597 2.659 -3.436 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.703 -1.077 -3.689 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.875 2.513 -2.764 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.812 -2.376 -3.592 1.00 1.16 H new ATOM 0 HE2 PHE A 172 17.985 1.214 -2.677 1.00 2.02 H new ATOM 0 HZ PHE A 172 17.953 -1.233 -3.088 1.00 1.92 H new ATOM 2736 N ARG A 173 11.283 -0.635 -2.366 1.00 0.01 N ATOM 2737 CA ARG A 173 10.960 -2.079 -2.153 1.00 0.01 C ATOM 2738 C ARG A 173 10.418 -2.685 -3.454 1.00 0.01 C ATOM 2739 O ARG A 173 9.790 -2.019 -4.256 1.00 0.01 O ATOM 2740 CB ARG A 173 9.875 -2.203 -1.075 1.00 0.01 C ATOM 2741 CG ARG A 173 10.490 -2.029 0.313 1.00 0.01 C ATOM 2742 CD ARG A 173 9.409 -2.254 1.372 1.00 0.01 C ATOM 2743 NE ARG A 173 8.801 -3.602 1.182 1.00 0.01 N ATOM 2744 CZ ARG A 173 8.068 -4.126 2.126 1.00 0.01 C ATOM 2745 NH1 ARG A 173 7.862 -3.469 3.234 1.00 0.01 N ATOM 2746 NH2 ARG A 173 7.540 -5.308 1.962 1.00 0.01 N ATOM 0 H ARG A 173 10.655 -0.144 -3.002 1.00 0.01 H new ATOM 0 HA ARG A 173 11.864 -2.604 -1.845 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.104 -1.450 -1.236 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.390 -3.176 -1.147 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.307 -2.737 0.454 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.913 -1.030 0.414 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.840 -2.175 2.370 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.642 -1.483 1.294 1.00 0.01 H new ATOM 0 HE ARG A 173 8.958 -4.115 0.314 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.274 -2.545 3.363 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.289 -3.879 3.971 1.00 0.01 H new ATOM 0 HH21 ARG A 173 7.700 -5.822 1.096 1.00 0.01 H new ATOM 0 HH22 ARG A 173 6.967 -5.717 2.700 1.00 0.01 H new ATOM 2760 N ARG A 174 10.652 -3.953 -3.651 1.00 0.01 N ATOM 2761 CA ARG A 174 10.152 -4.636 -4.879 1.00 0.01 C ATOM 2762 C ARG A 174 8.726 -5.139 -4.632 1.00 0.01 C ATOM 2763 O ARG A 174 8.412 -5.636 -3.569 1.00 0.01 O ATOM 2764 CB ARG A 174 11.057 -5.829 -5.195 1.00 0.01 C ATOM 2765 CG ARG A 174 10.632 -6.459 -6.523 1.00 0.01 C ATOM 2766 CD ARG A 174 11.539 -7.653 -6.835 1.00 0.01 C ATOM 2767 NE ARG A 174 11.153 -8.809 -5.976 1.00 0.01 N ATOM 2768 CZ ARG A 174 11.573 -10.010 -6.271 1.00 0.01 C ATOM 2769 NH1 ARG A 174 12.328 -10.200 -7.319 1.00 0.01 N ATOM 2770 NH2 ARG A 174 11.236 -11.022 -5.520 1.00 0.01 N ATOM 0 H ARG A 174 11.172 -4.551 -3.009 1.00 0.01 H new ATOM 0 HA ARG A 174 10.156 -3.937 -5.716 1.00 0.01 H new ATOM 0 HB2 ARG A 174 12.096 -5.505 -5.251 1.00 0.01 H new ATOM 0 HB3 ARG A 174 10.996 -6.567 -4.395 1.00 0.01 H new ATOM 0 HG2 ARG A 174 9.593 -6.783 -6.468 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.694 -5.722 -7.324 1.00 0.01 H new ATOM 0 HD2 ARG A 174 11.453 -7.924 -7.887 1.00 0.01 H new ATOM 0 HD3 ARG A 174 12.581 -7.387 -6.659 1.00 0.01 H new ATOM 0 HE ARG A 174 10.561 -8.662 -5.158 1.00 0.01 H new ATOM 0 HH11 ARG A 174 12.591 -9.410 -7.908 1.00 0.01 H new ATOM 0 HH12 ARG A 174 12.655 -11.138 -7.548 1.00 0.01 H new ATOM 0 HH21 ARG A 174 10.644 -10.875 -4.702 1.00 0.01 H new ATOM 0 HH22 ARG A 174 11.564 -11.960 -5.751 1.00 0.01 H new ATOM 2784 N ILE A 175 7.864 -5.037 -5.613 1.00 0.01 N ATOM 2785 CA ILE A 175 6.465 -5.539 -5.425 1.00 0.01 C ATOM 2786 C ILE A 175 6.391 -6.988 -5.909 1.00 0.00 C ATOM 2787 O ILE A 175 6.817 -7.305 -7.003 1.00 0.01 O ATOM 2788 CB ILE A 175 5.467 -4.698 -6.222 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.717 -3.204 -5.961 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.047 -5.056 -5.777 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.802 -2.330 -6.846 1.00 3.04 C ATOM 0 H ILE A 175 8.064 -4.632 -6.528 1.00 0.01 H new ATOM 0 HA ILE A 175 6.209 -5.471 -4.368 1.00 0.01 H new ATOM 0 HB ILE A 175 5.589 -4.902 -7.286 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.536 -2.979 -4.910 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.761 -2.965 -6.163 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.328 -4.461 -6.340 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.864 -6.115 -5.960 1.00 1.75 H new ATOM 0 HG23 ILE A 175 3.936 -4.848 -4.713 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.998 -1.277 -6.643 1.00 3.04 H new ATOM 0 HD12 ILE A 175 5.003 -2.541 -7.896 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.759 -2.555 -6.624 1.00 3.04 H new ATOM 2803 N VAL A 176 5.860 -7.874 -5.104 1.00 0.01 N ATOM 2804 CA VAL A 176 5.763 -9.312 -5.511 1.00 0.00 C ATOM 2805 C VAL A 176 4.388 -9.867 -5.130 1.00 0.01 C ATOM 2806 O VAL A 176 3.792 -9.465 -4.151 1.00 0.00 O ATOM 2807 CB VAL A 176 6.841 -10.120 -4.784 1.00 1.38 C ATOM 2808 CG1 VAL A 176 8.217 -9.777 -5.359 1.00 1.88 C ATOM 2809 CG2 VAL A 176 6.813 -9.776 -3.293 1.00 1.89 C ATOM 0 H VAL A 176 5.488 -7.663 -4.178 1.00 0.01 H new ATOM 0 HA VAL A 176 5.903 -9.388 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 176 6.648 -11.184 -4.919 1.00 1.38 H new ATOM 0 HG11 VAL A 176 8.982 -10.354 -4.840 1.00 1.88 H new ATOM 0 HG12 VAL A 176 8.238 -10.020 -6.421 1.00 1.88 H new ATOM 0 HG13 VAL A 176 8.412 -8.713 -5.226 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.580 -10.350 -2.773 1.00 1.89 H new ATOM 0 HG22 VAL A 176 7.005 -8.711 -3.162 1.00 1.89 H new ATOM 0 HG23 VAL A 176 5.834 -10.021 -2.881 1.00 1.89 H new ATOM 2819 N GLU A 177 3.881 -10.790 -5.901 1.00 0.01 N ATOM 2820 CA GLU A 177 2.547 -11.381 -5.595 1.00 0.01 C ATOM 2821 C GLU A 177 2.588 -12.052 -4.221 1.00 0.01 C ATOM 2822 CB GLU A 177 2.195 -12.420 -6.661 1.00 2.15 C ATOM 2823 CG GLU A 177 0.783 -12.954 -6.414 1.00 3.19 C ATOM 2824 CD GLU A 177 0.371 -13.864 -7.573 1.00 4.20 C ATOM 2825 OE1 GLU A 177 0.099 -13.344 -8.642 1.00 4.89 O ATOM 2826 OE2 GLU A 177 0.337 -15.067 -7.371 1.00 4.77 O ATOM 0 H GLU A 177 4.336 -11.162 -6.734 1.00 0.01 H new ATOM 0 HA GLU A 177 1.793 -10.594 -5.591 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.257 -11.973 -7.653 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.914 -13.239 -6.636 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.751 -13.506 -5.475 1.00 3.19 H new ATOM 0 HG3 GLU A 177 0.081 -12.126 -6.321 1.00 3.19 H new TER 2833 GLU A 177