USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.253 X(o=-0.25,f=0.017) USER MOD Set 2.1: A 74 MET CE :methyl -165:sc= 0 (180deg=-0.296) USER MOD Set 2.2: A 100 SER OG : rot 155:sc= 0.113 USER MOD Set 2.3: A 113 MET CE :methyl -133:sc= 0 (180deg=-0.638) USER MOD Set 3.1: A 73 THR OG1 : rot -170:sc= 0.0378 USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0.26,f=0.25) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 69 CYS SG : rot 1:sc= 0.262 USER MOD Set 5.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 51 THR OG1 : rot 120:sc= -0.0191 USER MOD Set 5.3: A 60 GLN : amide:sc= 0 X(o=-0.019,f=0.085) USER MOD Set 6.1: A 6 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.352) USER MOD Set 6.2: A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 14:sc= 0.464 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.7) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 19 MET CE :methyl -135:sc= 0 (180deg=-0.0837) USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.693) USER MOD Single : A 30 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.25) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.671) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc=0.000255 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -54:sc= 0.787 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.919) USER MOD Single : A 61 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.3) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 130:sc= -0.0183 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -120:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -128:sc= 0.0434 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 10.441 -11.042 13.891 1.00 0.00 N ATOM 2 CA SER A 2 9.756 -11.042 15.190 1.00 0.00 C ATOM 3 C SER A 2 8.986 -9.710 15.361 1.00 0.00 C ATOM 4 O SER A 2 9.593 -8.643 15.502 1.00 0.00 O ATOM 5 CB SER A 2 10.778 -11.292 16.320 1.00 0.00 C ATOM 6 OG SER A 2 10.121 -11.406 17.578 1.00 0.00 O ATOM 0 HA SER A 2 9.026 -11.850 15.239 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.340 -12.203 16.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.498 -10.474 16.353 1.00 0.00 H new ATOM 0 HG SER A 2 10.785 -11.566 18.281 1.00 0.00 H new ATOM 12 N PHE A 3 7.643 -9.794 15.381 1.00 0.00 N ATOM 13 CA PHE A 3 6.757 -8.613 15.590 1.00 0.00 C ATOM 14 C PHE A 3 6.803 -7.923 16.987 1.00 0.00 C ATOM 15 O PHE A 3 6.581 -6.711 17.025 1.00 0.00 O ATOM 16 CB PHE A 3 5.290 -8.961 15.188 1.00 0.00 C ATOM 17 CG PHE A 3 4.902 -8.645 13.732 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.747 -7.314 13.321 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.646 -9.676 12.822 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.360 -7.021 12.016 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.243 -9.379 11.523 1.00 0.00 C ATOM 22 CZ PHE A 3 4.109 -8.054 11.118 1.00 0.00 C ATOM 0 H PHE A 3 7.136 -10.670 15.255 1.00 0.00 H new ATOM 0 HA PHE A 3 7.176 -7.854 14.929 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.127 -10.024 15.365 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.614 -8.420 15.850 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.929 -6.511 14.020 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.761 -10.705 13.128 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.255 -5.993 11.701 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.034 -10.179 10.828 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.810 -7.827 10.105 1.00 0.00 H new ATOM 32 N SER A 4 7.075 -8.634 18.102 1.00 0.00 N ATOM 33 CA SER A 4 7.062 -8.037 19.464 1.00 0.00 C ATOM 34 C SER A 4 8.192 -6.982 19.691 1.00 0.00 C ATOM 35 O SER A 4 9.337 -7.159 19.259 1.00 0.00 O ATOM 36 CB SER A 4 7.147 -9.173 20.509 1.00 0.00 C ATOM 37 OG SER A 4 6.867 -8.679 21.814 1.00 0.00 O ATOM 0 H SER A 4 7.308 -9.627 18.090 1.00 0.00 H new ATOM 0 HA SER A 4 6.127 -7.489 19.576 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.439 -9.962 20.254 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.142 -9.618 20.489 1.00 0.00 H new ATOM 0 HG SER A 4 6.924 -9.413 22.461 1.00 0.00 H new ATOM 43 N GLY A 5 7.823 -5.888 20.371 1.00 0.00 N ATOM 44 CA GLY A 5 8.723 -4.740 20.612 1.00 0.00 C ATOM 45 C GLY A 5 7.940 -3.446 20.928 1.00 0.00 C ATOM 46 O GLY A 5 6.756 -3.307 20.599 1.00 0.00 O ATOM 0 H GLY A 5 6.893 -5.769 20.772 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.391 -4.971 21.442 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.349 -4.580 19.734 1.00 0.00 H new ATOM 50 N LYS A 6 8.645 -2.469 21.527 1.00 0.00 N ATOM 51 CA LYS A 6 8.113 -1.088 21.706 1.00 0.00 C ATOM 52 C LYS A 6 8.615 -0.201 20.532 1.00 0.00 C ATOM 53 O LYS A 6 9.825 -0.044 20.333 1.00 0.00 O ATOM 54 CB LYS A 6 8.411 -0.530 23.126 1.00 0.00 C ATOM 55 CG LYS A 6 9.879 -0.193 23.510 1.00 0.00 C ATOM 56 CD LYS A 6 10.149 1.280 23.892 1.00 0.00 C ATOM 57 CE LYS A 6 9.932 2.307 22.759 1.00 0.00 C ATOM 58 NZ LYS A 6 10.246 3.675 23.207 1.00 0.00 N ATOM 0 H LYS A 6 9.586 -2.602 21.898 1.00 0.00 H new ATOM 0 HA LYS A 6 7.024 -1.092 21.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.821 0.377 23.254 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.040 -1.256 23.849 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.171 -0.826 24.348 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.524 -0.456 22.672 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.503 1.545 24.729 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.177 1.364 24.244 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.560 2.049 21.906 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.898 2.262 22.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.732 4.360 22.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.959 3.789 24.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.269 3.842 23.120 1.00 0.00 H new ATOM 72 N TYR A 7 7.674 0.341 19.738 1.00 0.00 N ATOM 73 CA TYR A 7 8.002 1.052 18.474 1.00 0.00 C ATOM 74 C TYR A 7 7.626 2.545 18.640 1.00 0.00 C ATOM 75 O TYR A 7 6.447 2.918 18.634 1.00 0.00 O ATOM 76 CB TYR A 7 7.328 0.396 17.240 1.00 0.00 C ATOM 77 CG TYR A 7 7.766 -1.042 16.896 1.00 0.00 C ATOM 78 CD1 TYR A 7 7.165 -2.124 17.540 1.00 0.00 C ATOM 79 CD2 TYR A 7 8.703 -1.285 15.883 1.00 0.00 C ATOM 80 CE1 TYR A 7 7.485 -3.428 17.179 1.00 0.00 C ATOM 81 CE2 TYR A 7 9.006 -2.592 15.505 1.00 0.00 C ATOM 82 CZ TYR A 7 8.391 -3.663 16.150 1.00 0.00 C ATOM 83 OH TYR A 7 8.665 -4.949 15.767 1.00 0.00 O ATOM 0 H TYR A 7 6.676 0.304 19.944 1.00 0.00 H new ATOM 0 HA TYR A 7 9.072 0.977 18.281 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.250 0.394 17.402 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.519 1.027 16.372 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.445 -1.947 18.325 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.192 -0.456 15.393 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.030 -4.259 17.698 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.717 -2.774 14.713 1.00 0.00 H new ATOM 0 HH TYR A 7 7.995 -5.554 16.148 1.00 0.00 H new ATOM 93 N GLN A 8 8.664 3.385 18.792 1.00 0.00 N ATOM 94 CA GLN A 8 8.531 4.847 19.011 1.00 0.00 C ATOM 95 C GLN A 8 8.151 5.566 17.688 1.00 0.00 C ATOM 96 O GLN A 8 8.855 5.452 16.680 1.00 0.00 O ATOM 97 CB GLN A 8 9.879 5.354 19.600 1.00 0.00 C ATOM 98 CG GLN A 8 9.997 6.862 19.927 1.00 0.00 C ATOM 99 CD GLN A 8 9.039 7.381 21.015 1.00 0.00 C ATOM 100 OE1 GLN A 8 9.016 6.887 22.141 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.246 8.398 20.711 1.00 0.00 N ATOM 0 H GLN A 8 9.634 3.070 18.767 1.00 0.00 H new ATOM 0 HA GLN A 8 7.727 5.069 19.713 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.077 4.796 20.515 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.670 5.100 18.894 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.020 7.069 20.240 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.822 7.429 19.013 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.271 8.802 19.775 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.610 8.777 21.413 1.00 0.00 H new ATOM 110 N LEU A 9 7.039 6.319 17.731 1.00 0.00 N ATOM 111 CA LEU A 9 6.464 6.997 16.543 1.00 0.00 C ATOM 112 C LEU A 9 7.333 8.217 16.113 1.00 0.00 C ATOM 113 O LEU A 9 7.497 9.198 16.846 1.00 0.00 O ATOM 114 CB LEU A 9 4.986 7.357 16.855 1.00 0.00 C ATOM 115 CG LEU A 9 4.142 7.966 15.702 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.954 7.032 14.492 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.758 8.375 16.238 1.00 0.00 C ATOM 0 H LEU A 9 6.509 6.479 18.588 1.00 0.00 H new ATOM 0 HA LEU A 9 6.472 6.333 15.679 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.484 6.453 17.199 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.979 8.062 17.687 1.00 0.00 H new ATOM 0 HG LEU A 9 4.704 8.828 15.343 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.354 7.535 13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.928 6.778 14.074 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.447 6.121 14.811 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.166 8.802 15.429 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.248 7.498 16.636 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.878 9.115 17.029 1.00 0.00 H new ATOM 129 N GLN A 10 7.899 8.085 14.907 1.00 0.00 N ATOM 130 CA GLN A 10 8.878 9.033 14.321 1.00 0.00 C ATOM 131 C GLN A 10 8.200 10.084 13.392 1.00 0.00 C ATOM 132 O GLN A 10 8.391 11.279 13.625 1.00 0.00 O ATOM 133 CB GLN A 10 9.950 8.156 13.618 1.00 0.00 C ATOM 134 CG GLN A 10 11.167 8.911 13.045 1.00 0.00 C ATOM 135 CD GLN A 10 12.152 7.943 12.377 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.080 7.677 11.177 1.00 0.00 O ATOM 137 NE2 GLN A 10 13.056 7.363 13.148 1.00 0.00 N ATOM 0 H GLN A 10 7.690 7.300 14.290 1.00 0.00 H new ATOM 0 HA GLN A 10 9.351 9.651 15.084 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.310 7.414 14.331 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.470 7.610 12.806 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.831 9.651 12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.671 9.454 13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.103 7.594 14.140 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.706 6.685 12.750 1.00 0.00 H new ATOM 146 N SER A 11 7.447 9.657 12.352 1.00 0.00 N ATOM 147 CA SER A 11 6.712 10.577 11.447 1.00 0.00 C ATOM 148 C SER A 11 5.244 10.098 11.355 1.00 0.00 C ATOM 149 O SER A 11 4.942 9.072 10.734 1.00 0.00 O ATOM 150 CB SER A 11 7.395 10.627 10.066 1.00 0.00 C ATOM 151 OG SER A 11 6.763 11.578 9.217 1.00 0.00 O ATOM 0 H SER A 11 7.331 8.672 12.116 1.00 0.00 H new ATOM 0 HA SER A 11 6.724 11.594 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.447 10.885 10.186 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.359 9.641 9.603 1.00 0.00 H new ATOM 0 HG SER A 11 7.215 11.592 8.348 1.00 0.00 H new ATOM 157 N GLN A 12 4.339 10.883 11.963 1.00 0.00 N ATOM 158 CA GLN A 12 2.880 10.626 11.917 1.00 0.00 C ATOM 159 C GLN A 12 2.276 11.456 10.751 1.00 0.00 C ATOM 160 O GLN A 12 2.098 12.674 10.870 1.00 0.00 O ATOM 161 CB GLN A 12 2.300 10.953 13.318 1.00 0.00 C ATOM 162 CG GLN A 12 0.770 10.793 13.468 1.00 0.00 C ATOM 163 CD GLN A 12 0.243 10.804 14.914 1.00 0.00 C ATOM 164 OE1 GLN A 12 -0.326 9.820 15.385 1.00 0.00 O ATOM 165 NE2 GLN A 12 0.398 11.896 15.646 1.00 0.00 N ATOM 0 H GLN A 12 4.592 11.713 12.500 1.00 0.00 H new ATOM 0 HA GLN A 12 2.629 9.586 11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.787 10.310 14.051 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.565 11.980 13.569 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.282 11.596 12.915 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.472 9.856 12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.870 12.710 15.253 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.045 11.923 16.603 1.00 0.00 H new ATOM 174 N GLU A 13 1.998 10.777 9.624 1.00 0.00 N ATOM 175 CA GLU A 13 1.592 11.441 8.357 1.00 0.00 C ATOM 176 C GLU A 13 0.074 11.268 8.145 1.00 0.00 C ATOM 177 O GLU A 13 -0.449 10.154 8.139 1.00 0.00 O ATOM 178 CB GLU A 13 2.378 10.868 7.145 1.00 0.00 C ATOM 179 CG GLU A 13 3.864 11.282 7.111 1.00 0.00 C ATOM 180 CD GLU A 13 4.119 12.707 6.610 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.054 12.938 5.382 1.00 0.00 O ATOM 182 OE2 GLU A 13 4.390 13.601 7.444 1.00 0.00 O ATOM 0 H GLU A 13 2.046 9.760 9.558 1.00 0.00 H new ATOM 0 HA GLU A 13 1.827 12.503 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.315 9.780 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.898 11.199 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.277 11.185 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.407 10.584 6.474 1.00 0.00 H new ATOM 189 N ASN A 14 -0.595 12.414 7.951 1.00 0.00 N ATOM 190 CA ASN A 14 -2.071 12.512 7.709 1.00 0.00 C ATOM 191 C ASN A 14 -2.956 12.078 8.928 1.00 0.00 C ATOM 192 O ASN A 14 -3.844 11.233 8.786 1.00 0.00 O ATOM 193 CB ASN A 14 -2.548 11.848 6.372 1.00 0.00 C ATOM 194 CG ASN A 14 -1.897 12.302 5.047 1.00 0.00 C ATOM 195 OD1 ASN A 14 -0.681 12.233 4.867 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.693 12.716 4.073 1.00 0.00 N ATOM 0 H ASN A 14 -0.132 13.323 7.955 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.233 13.583 7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.396 10.773 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.622 12.012 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.299 12.979 3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.700 12.772 4.226 1.00 0.00 H new ATOM 203 N PHE A 15 -2.746 12.680 10.117 1.00 0.00 N ATOM 204 CA PHE A 15 -3.617 12.451 11.309 1.00 0.00 C ATOM 205 C PHE A 15 -4.874 13.375 11.310 1.00 0.00 C ATOM 206 O PHE A 15 -5.973 12.865 11.535 1.00 0.00 O ATOM 207 CB PHE A 15 -2.769 12.522 12.613 1.00 0.00 C ATOM 208 CG PHE A 15 -3.499 12.177 13.933 1.00 0.00 C ATOM 209 CD1 PHE A 15 -4.320 13.122 14.561 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.324 10.925 14.534 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.962 12.817 15.758 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.946 10.629 15.744 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.764 11.574 16.354 1.00 0.00 C ATOM 0 H PHE A 15 -1.980 13.332 10.286 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.027 11.442 11.258 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.921 11.845 12.505 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.363 13.530 12.701 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.456 14.095 14.113 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.702 10.183 14.056 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.612 13.543 16.223 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.793 9.666 16.209 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.247 11.343 17.292 1.00 0.00 H new ATOM 223 N GLU A 16 -4.731 14.702 11.101 1.00 0.00 N ATOM 224 CA GLU A 16 -5.875 15.662 11.135 1.00 0.00 C ATOM 225 C GLU A 16 -6.956 15.447 10.029 1.00 0.00 C ATOM 226 O GLU A 16 -8.149 15.482 10.346 1.00 0.00 O ATOM 227 CB GLU A 16 -5.372 17.132 11.146 1.00 0.00 C ATOM 228 CG GLU A 16 -4.610 17.547 12.424 1.00 0.00 C ATOM 229 CD GLU A 16 -4.115 18.995 12.390 1.00 0.00 C ATOM 230 OE1 GLU A 16 -4.918 19.917 12.653 1.00 0.00 O ATOM 231 OE2 GLU A 16 -2.917 19.218 12.109 1.00 0.00 O ATOM 0 H GLU A 16 -3.832 15.142 10.905 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.389 15.447 12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.720 17.284 10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.228 17.795 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.262 17.413 13.287 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.758 16.882 12.563 1.00 0.00 H new ATOM 238 N ALA A 17 -6.550 15.189 8.767 1.00 0.00 N ATOM 239 CA ALA A 17 -7.476 14.767 7.682 1.00 0.00 C ATOM 240 C ALA A 17 -8.147 13.373 7.871 1.00 0.00 C ATOM 241 O ALA A 17 -9.354 13.261 7.644 1.00 0.00 O ATOM 242 CB ALA A 17 -6.723 14.840 6.339 1.00 0.00 C ATOM 0 H ALA A 17 -5.578 15.265 8.468 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.315 15.462 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.388 14.533 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.388 15.863 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.859 14.176 6.370 1.00 0.00 H new ATOM 248 N PHE A 18 -7.391 12.334 8.284 1.00 0.00 N ATOM 249 CA PHE A 18 -7.928 10.962 8.511 1.00 0.00 C ATOM 250 C PHE A 18 -8.924 10.846 9.702 1.00 0.00 C ATOM 251 O PHE A 18 -10.003 10.281 9.513 1.00 0.00 O ATOM 252 CB PHE A 18 -6.723 9.994 8.652 1.00 0.00 C ATOM 253 CG PHE A 18 -7.050 8.492 8.673 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.178 7.772 7.478 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.135 7.816 9.894 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.364 6.393 7.512 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.328 6.439 9.925 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.435 5.731 8.733 1.00 0.00 C ATOM 0 H PHE A 18 -6.392 12.415 8.471 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.537 10.690 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.036 10.182 7.827 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.193 10.241 9.572 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.132 8.287 6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.050 8.367 10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.453 5.837 6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.394 5.922 10.871 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.574 4.660 8.756 1.00 0.00 H new ATOM 268 N MET A 19 -8.571 11.365 10.896 1.00 0.00 N ATOM 269 CA MET A 19 -9.464 11.358 12.089 1.00 0.00 C ATOM 270 C MET A 19 -10.781 12.186 11.937 1.00 0.00 C ATOM 271 O MET A 19 -11.830 11.721 12.391 1.00 0.00 O ATOM 272 CB MET A 19 -8.671 11.742 13.369 1.00 0.00 C ATOM 273 CG MET A 19 -7.800 10.627 13.976 1.00 0.00 C ATOM 274 SD MET A 19 -6.468 10.130 12.866 1.00 0.00 S ATOM 275 CE MET A 19 -6.116 8.488 13.519 1.00 0.00 C ATOM 0 H MET A 19 -7.665 11.800 11.067 1.00 0.00 H new ATOM 0 HA MET A 19 -9.815 10.331 12.186 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.030 12.592 13.135 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.380 12.077 14.126 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.376 10.971 14.919 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.424 9.763 14.203 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.038 8.355 13.608 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.577 8.380 14.501 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.520 7.734 12.844 1.00 0.00 H new ATOM 285 N LYS A 20 -10.749 13.356 11.264 1.00 0.00 N ATOM 286 CA LYS A 20 -11.977 14.097 10.853 1.00 0.00 C ATOM 287 C LYS A 20 -12.875 13.366 9.798 1.00 0.00 C ATOM 288 O LYS A 20 -14.101 13.390 9.941 1.00 0.00 O ATOM 289 CB LYS A 20 -11.560 15.523 10.392 1.00 0.00 C ATOM 290 CG LYS A 20 -12.682 16.582 10.480 1.00 0.00 C ATOM 291 CD LYS A 20 -12.246 18.040 10.205 1.00 0.00 C ATOM 292 CE LYS A 20 -11.528 18.785 11.355 1.00 0.00 C ATOM 293 NZ LYS A 20 -10.096 18.455 11.489 1.00 0.00 N ATOM 0 H LYS A 20 -9.882 13.817 10.988 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.628 14.156 11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.717 15.855 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.209 15.469 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.465 16.316 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.124 16.535 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.586 18.039 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.132 18.613 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.628 19.859 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.032 18.553 12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.928 18.006 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.818 17.800 10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.531 19.325 11.419 1.00 0.00 H new ATOM 307 N ALA A 21 -12.279 12.723 8.771 1.00 0.00 N ATOM 308 CA ALA A 21 -13.024 11.960 7.733 1.00 0.00 C ATOM 309 C ALA A 21 -13.724 10.648 8.197 1.00 0.00 C ATOM 310 O ALA A 21 -14.850 10.389 7.760 1.00 0.00 O ATOM 311 CB ALA A 21 -12.076 11.685 6.550 1.00 0.00 C ATOM 0 H ALA A 21 -11.268 12.715 8.634 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.861 12.598 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.608 11.126 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.727 12.631 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.222 11.103 6.896 1.00 0.00 H new ATOM 317 N ILE A 22 -13.094 9.843 9.079 1.00 0.00 N ATOM 318 CA ILE A 22 -13.734 8.648 9.717 1.00 0.00 C ATOM 319 C ILE A 22 -14.957 8.977 10.645 1.00 0.00 C ATOM 320 O ILE A 22 -15.952 8.247 10.597 1.00 0.00 O ATOM 321 CB ILE A 22 -12.676 7.705 10.405 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.957 8.346 11.631 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.678 7.117 9.373 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.946 7.474 12.391 1.00 0.00 C ATOM 0 H ILE A 22 -12.130 9.993 9.375 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.173 8.088 8.891 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.246 6.874 10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.439 9.241 11.288 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.721 8.671 12.338 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.964 6.472 9.884 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.224 6.536 8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.145 7.929 8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.523 8.044 13.218 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.449 6.589 12.781 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.148 7.169 11.714 1.00 0.00 H new ATOM 336 N GLY A 23 -14.879 10.049 11.461 1.00 0.00 N ATOM 337 CA GLY A 23 -15.992 10.513 12.318 1.00 0.00 C ATOM 338 C GLY A 23 -15.566 10.779 13.775 1.00 0.00 C ATOM 339 O GLY A 23 -16.023 10.076 14.680 1.00 0.00 O ATOM 0 H GLY A 23 -14.038 10.620 11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.410 11.427 11.896 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.785 9.765 12.309 1.00 0.00 H new ATOM 343 N LEU A 24 -14.731 11.814 13.992 1.00 0.00 N ATOM 344 CA LEU A 24 -14.357 12.300 15.352 1.00 0.00 C ATOM 345 C LEU A 24 -14.566 13.849 15.463 1.00 0.00 C ATOM 346 O LEU A 24 -14.365 14.555 14.466 1.00 0.00 O ATOM 347 CB LEU A 24 -12.880 11.949 15.704 1.00 0.00 C ATOM 348 CG LEU A 24 -12.583 10.480 16.118 1.00 0.00 C ATOM 349 CD1 LEU A 24 -11.063 10.248 16.148 1.00 0.00 C ATOM 350 CD2 LEU A 24 -13.189 10.114 17.489 1.00 0.00 C ATOM 0 H LEU A 24 -14.293 12.342 13.237 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.009 11.794 16.064 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.260 12.190 14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.561 12.601 16.517 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.052 9.835 15.375 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.858 9.218 16.438 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.647 10.436 15.158 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.606 10.926 16.869 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.951 9.077 17.727 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.774 10.767 18.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.271 10.238 17.453 1.00 0.00 H new ATOM 362 N PRO A 25 -14.910 14.435 16.653 1.00 0.00 N ATOM 363 CA PRO A 25 -15.044 15.907 16.827 1.00 0.00 C ATOM 364 C PRO A 25 -13.692 16.685 16.809 1.00 0.00 C ATOM 365 O PRO A 25 -12.611 16.111 16.985 1.00 0.00 O ATOM 366 CB PRO A 25 -15.761 15.999 18.194 1.00 0.00 C ATOM 367 CG PRO A 25 -15.319 14.759 18.970 1.00 0.00 C ATOM 368 CD PRO A 25 -15.197 13.683 17.894 1.00 0.00 C ATOM 0 HA PRO A 25 -15.582 16.377 16.003 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.484 16.912 18.722 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.844 16.019 18.069 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.370 14.924 19.481 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.048 14.483 19.732 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.398 12.978 18.125 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.116 13.104 17.804 1.00 0.00 H new ATOM 376 N GLU A 26 -13.793 18.017 16.647 1.00 0.00 N ATOM 377 CA GLU A 26 -12.637 18.957 16.737 1.00 0.00 C ATOM 378 C GLU A 26 -11.782 18.882 18.050 1.00 0.00 C ATOM 379 O GLU A 26 -10.557 19.007 17.972 1.00 0.00 O ATOM 380 CB GLU A 26 -13.187 20.391 16.484 1.00 0.00 C ATOM 381 CG GLU A 26 -12.122 21.467 16.176 1.00 0.00 C ATOM 382 CD GLU A 26 -12.722 22.864 16.004 1.00 0.00 C ATOM 383 OE1 GLU A 26 -13.115 23.219 14.870 1.00 0.00 O ATOM 384 OE2 GLU A 26 -12.804 23.615 17.001 1.00 0.00 O ATOM 0 H GLU A 26 -14.678 18.483 16.449 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.916 18.655 15.977 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.889 20.350 15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.752 20.705 17.362 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.390 21.488 16.983 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.587 21.192 15.267 1.00 0.00 H new ATOM 391 N GLU A 27 -12.414 18.661 19.223 1.00 0.00 N ATOM 392 CA GLU A 27 -11.721 18.521 20.532 1.00 0.00 C ATOM 393 C GLU A 27 -10.744 17.305 20.635 1.00 0.00 C ATOM 394 O GLU A 27 -9.587 17.515 21.009 1.00 0.00 O ATOM 395 CB GLU A 27 -12.819 18.530 21.634 1.00 0.00 C ATOM 396 CG GLU A 27 -12.287 18.635 23.077 1.00 0.00 C ATOM 397 CD GLU A 27 -13.408 18.637 24.120 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.838 17.543 24.548 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.866 19.732 24.512 1.00 0.00 O ATOM 0 H GLU A 27 -13.428 18.573 19.294 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.042 19.363 20.663 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.493 19.366 21.449 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.410 17.619 21.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.614 17.800 23.274 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.700 19.548 23.178 1.00 0.00 H new ATOM 406 N LEU A 28 -11.179 16.068 20.309 1.00 0.00 N ATOM 407 CA LEU A 28 -10.299 14.861 20.336 1.00 0.00 C ATOM 408 C LEU A 28 -9.154 14.823 19.272 1.00 0.00 C ATOM 409 O LEU A 28 -8.091 14.263 19.561 1.00 0.00 O ATOM 410 CB LEU A 28 -11.171 13.575 20.251 1.00 0.00 C ATOM 411 CG LEU A 28 -12.137 13.271 21.434 1.00 0.00 C ATOM 412 CD1 LEU A 28 -13.022 12.052 21.108 1.00 0.00 C ATOM 413 CD2 LEU A 28 -11.407 13.029 22.772 1.00 0.00 C ATOM 0 H LEU A 28 -12.138 15.871 20.022 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.772 14.915 21.288 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.766 13.634 19.340 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.501 12.723 20.139 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.752 14.162 21.557 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.691 11.854 21.945 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.611 12.258 20.214 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.391 11.181 20.933 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.138 12.823 23.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.735 12.177 22.671 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.832 13.916 23.038 1.00 0.00 H new ATOM 425 N ILE A 29 -9.346 15.422 18.077 1.00 0.00 N ATOM 426 CA ILE A 29 -8.291 15.549 17.027 1.00 0.00 C ATOM 427 C ILE A 29 -7.184 16.554 17.489 1.00 0.00 C ATOM 428 O ILE A 29 -6.033 16.139 17.639 1.00 0.00 O ATOM 429 CB ILE A 29 -8.896 15.916 15.621 1.00 0.00 C ATOM 430 CG1 ILE A 29 -10.054 14.989 15.144 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.793 15.954 14.527 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.991 15.624 14.112 1.00 0.00 C ATOM 0 H ILE A 29 -10.238 15.835 17.804 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.819 14.575 16.898 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.328 16.906 15.765 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.625 14.083 14.717 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.641 14.686 16.011 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.241 16.210 13.567 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.046 16.703 14.790 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.317 14.976 14.456 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.766 14.909 13.836 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.453 16.514 14.539 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.421 15.901 13.225 1.00 0.00 H new ATOM 444 N GLN A 30 -7.532 17.840 17.708 1.00 0.00 N ATOM 445 CA GLN A 30 -6.569 18.904 18.117 1.00 0.00 C ATOM 446 C GLN A 30 -5.910 18.772 19.529 1.00 0.00 C ATOM 447 O GLN A 30 -4.884 19.423 19.755 1.00 0.00 O ATOM 448 CB GLN A 30 -7.249 20.294 17.921 1.00 0.00 C ATOM 449 CG GLN A 30 -7.198 20.915 16.501 1.00 0.00 C ATOM 450 CD GLN A 30 -7.711 20.057 15.329 1.00 0.00 C ATOM 451 OE1 GLN A 30 -6.960 19.295 14.722 1.00 0.00 O ATOM 452 NE2 GLN A 30 -8.983 20.154 14.985 1.00 0.00 N ATOM 0 H GLN A 30 -8.489 18.178 17.608 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.708 18.782 17.460 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.295 20.202 18.212 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.786 20.997 18.614 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.774 21.840 16.518 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.164 21.188 16.290 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.601 20.787 15.492 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.347 19.595 14.213 1.00 0.00 H new ATOM 461 N LYS A 31 -6.423 17.918 20.442 1.00 0.00 N ATOM 462 CA LYS A 31 -5.691 17.500 21.670 1.00 0.00 C ATOM 463 C LYS A 31 -4.393 16.688 21.356 1.00 0.00 C ATOM 464 O LYS A 31 -3.323 17.119 21.794 1.00 0.00 O ATOM 465 CB LYS A 31 -6.674 16.770 22.627 1.00 0.00 C ATOM 466 CG LYS A 31 -6.135 16.538 24.057 1.00 0.00 C ATOM 467 CD LYS A 31 -7.148 15.825 24.973 1.00 0.00 C ATOM 468 CE LYS A 31 -6.651 15.712 26.427 1.00 0.00 C ATOM 469 NZ LYS A 31 -7.622 15.001 27.277 1.00 0.00 N ATOM 0 H LYS A 31 -7.349 17.499 20.355 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.323 18.388 22.183 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.595 17.350 22.691 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.934 15.805 22.191 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.222 15.945 24.004 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.867 17.498 24.499 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.093 16.368 24.957 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.347 14.827 24.582 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.696 15.187 26.446 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.474 16.709 26.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.256 14.943 28.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.525 15.516 27.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.771 14.041 26.905 1.00 0.00 H new ATOM 483 N GLY A 32 -4.475 15.574 20.598 1.00 0.00 N ATOM 484 CA GLY A 32 -3.276 14.844 20.117 1.00 0.00 C ATOM 485 C GLY A 32 -3.095 14.823 18.588 1.00 0.00 C ATOM 486 O GLY A 32 -2.976 13.738 18.013 1.00 0.00 O ATOM 0 H GLY A 32 -5.359 15.158 20.304 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.391 15.294 20.566 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.327 13.816 20.476 1.00 0.00 H new ATOM 490 N LYS A 33 -3.015 16.007 17.946 1.00 0.00 N ATOM 491 CA LYS A 33 -2.856 16.135 16.469 1.00 0.00 C ATOM 492 C LYS A 33 -1.480 15.648 15.930 1.00 0.00 C ATOM 493 O LYS A 33 -1.457 14.704 15.134 1.00 0.00 O ATOM 494 CB LYS A 33 -3.288 17.530 15.936 1.00 0.00 C ATOM 495 CG LYS A 33 -2.751 18.794 16.650 1.00 0.00 C ATOM 496 CD LYS A 33 -3.173 20.093 15.930 1.00 0.00 C ATOM 497 CE LYS A 33 -2.876 21.393 16.703 1.00 0.00 C ATOM 498 NZ LYS A 33 -1.437 21.718 16.765 1.00 0.00 N ATOM 0 H LYS A 33 -3.058 16.904 18.429 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.566 15.427 16.041 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.992 17.590 14.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.377 17.572 15.963 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.118 18.813 17.676 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.663 18.746 16.702 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.666 20.137 14.966 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.243 20.046 15.726 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.408 22.219 16.230 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.265 21.302 17.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.303 22.602 17.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.927 20.947 17.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.066 21.835 15.801 1.00 0.00 H new ATOM 512 N ASP A 34 -0.358 16.244 16.378 1.00 0.00 N ATOM 513 CA ASP A 34 0.989 15.635 16.205 1.00 0.00 C ATOM 514 C ASP A 34 1.730 15.661 17.572 1.00 0.00 C ATOM 515 O ASP A 34 2.665 16.438 17.789 1.00 0.00 O ATOM 516 CB ASP A 34 1.729 16.301 15.016 1.00 0.00 C ATOM 517 CG ASP A 34 2.984 15.547 14.551 1.00 0.00 C ATOM 518 OD1 ASP A 34 2.854 14.585 13.761 1.00 0.00 O ATOM 519 OD2 ASP A 34 4.102 15.912 14.975 1.00 0.00 O ATOM 0 H ASP A 34 -0.350 17.142 16.861 1.00 0.00 H new ATOM 0 HA ASP A 34 0.929 14.584 15.924 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.039 16.388 14.176 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.013 17.314 15.301 1.00 0.00 H new ATOM 524 N ILE A 35 1.292 14.763 18.473 1.00 0.00 N ATOM 525 CA ILE A 35 1.979 14.471 19.763 1.00 0.00 C ATOM 526 C ILE A 35 2.241 12.943 19.667 1.00 0.00 C ATOM 527 O ILE A 35 1.317 12.131 19.792 1.00 0.00 O ATOM 528 CB ILE A 35 1.156 14.894 21.032 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.718 16.390 21.007 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.934 14.559 22.333 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.149 16.866 22.185 1.00 0.00 C ATOM 0 H ILE A 35 0.446 14.211 18.334 1.00 0.00 H new ATOM 0 HA ILE A 35 2.892 15.051 19.897 1.00 0.00 H new ATOM 0 HB ILE A 35 0.237 14.308 21.015 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.615 17.008 20.970 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.169 16.570 20.083 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.344 14.861 23.198 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.122 13.486 22.379 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.884 15.094 22.337 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.390 17.921 22.056 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.071 16.285 22.217 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.398 16.730 23.118 1.00 0.00 H new ATOM 543 N LYS A 36 3.500 12.571 19.384 1.00 0.00 N ATOM 544 CA LYS A 36 3.823 11.234 18.827 1.00 0.00 C ATOM 545 C LYS A 36 4.274 10.268 19.953 1.00 0.00 C ATOM 546 O LYS A 36 5.354 10.431 20.530 1.00 0.00 O ATOM 547 CB LYS A 36 4.892 11.383 17.709 1.00 0.00 C ATOM 548 CG LYS A 36 4.401 12.119 16.437 1.00 0.00 C ATOM 549 CD LYS A 36 5.426 12.232 15.288 1.00 0.00 C ATOM 550 CE LYS A 36 6.540 13.287 15.461 1.00 0.00 C ATOM 551 NZ LYS A 36 7.640 12.853 16.341 1.00 0.00 N ATOM 0 H LYS A 36 4.313 13.170 19.529 1.00 0.00 H new ATOM 0 HA LYS A 36 2.931 10.796 18.379 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.750 11.920 18.115 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.242 10.390 17.426 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.517 11.604 16.061 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.088 13.124 16.720 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.896 11.258 15.153 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.885 12.455 14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.948 13.535 14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.103 14.200 15.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.511 13.361 16.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.396 13.062 17.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.790 11.830 16.230 1.00 0.00 H new ATOM 565 N GLY A 37 3.425 9.266 20.254 1.00 0.00 N ATOM 566 CA GLY A 37 3.674 8.302 21.348 1.00 0.00 C ATOM 567 C GLY A 37 4.328 6.993 20.862 1.00 0.00 C ATOM 568 O GLY A 37 5.400 7.025 20.252 1.00 0.00 O ATOM 0 H GLY A 37 2.553 9.101 19.751 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.317 8.767 22.095 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.730 8.069 21.841 1.00 0.00 H new ATOM 572 N VAL A 38 3.712 5.848 21.206 1.00 0.00 N ATOM 573 CA VAL A 38 4.309 4.497 20.996 1.00 0.00 C ATOM 574 C VAL A 38 3.137 3.543 20.603 1.00 0.00 C ATOM 575 O VAL A 38 2.191 3.362 21.378 1.00 0.00 O ATOM 576 CB VAL A 38 5.076 3.980 22.274 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.673 2.559 22.114 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.232 4.897 22.745 1.00 0.00 C ATOM 0 H VAL A 38 2.788 5.822 21.637 1.00 0.00 H new ATOM 0 HA VAL A 38 5.060 4.534 20.206 1.00 0.00 H new ATOM 0 HB VAL A 38 4.283 3.977 23.022 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.184 2.274 23.033 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.872 1.849 21.909 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.383 2.554 21.287 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.703 4.465 23.628 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.971 4.990 21.949 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.837 5.883 22.990 1.00 0.00 H new ATOM 588 N SER A 39 3.262 2.862 19.445 1.00 0.00 N ATOM 589 CA SER A 39 2.463 1.641 19.145 1.00 0.00 C ATOM 590 C SER A 39 3.278 0.398 19.595 1.00 0.00 C ATOM 591 O SER A 39 4.254 0.007 18.945 1.00 0.00 O ATOM 592 CB SER A 39 2.077 1.561 17.655 1.00 0.00 C ATOM 593 OG SER A 39 1.114 2.552 17.334 1.00 0.00 O ATOM 0 H SER A 39 3.905 3.131 18.700 1.00 0.00 H new ATOM 0 HA SER A 39 1.523 1.679 19.696 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.964 1.695 17.036 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.678 0.572 17.430 1.00 0.00 H new ATOM 0 HG SER A 39 0.882 2.487 16.384 1.00 0.00 H new ATOM 599 N GLU A 40 2.876 -0.190 20.737 1.00 0.00 N ATOM 600 CA GLU A 40 3.633 -1.286 21.392 1.00 0.00 C ATOM 601 C GLU A 40 3.017 -2.649 20.980 1.00 0.00 C ATOM 602 O GLU A 40 1.998 -3.077 21.532 1.00 0.00 O ATOM 603 CB GLU A 40 3.641 -1.053 22.927 1.00 0.00 C ATOM 604 CG GLU A 40 4.523 -2.047 23.717 1.00 0.00 C ATOM 605 CD GLU A 40 4.538 -1.761 25.218 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.667 -2.289 25.943 1.00 0.00 O ATOM 607 OE2 GLU A 40 5.423 -1.006 25.680 1.00 0.00 O ATOM 0 H GLU A 40 2.025 0.075 21.233 1.00 0.00 H new ATOM 0 HA GLU A 40 4.673 -1.297 21.067 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.988 -0.039 23.127 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.618 -1.119 23.298 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.160 -3.061 23.548 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.542 -2.005 23.334 1.00 0.00 H new ATOM 614 N ILE A 41 3.687 -3.335 20.037 1.00 0.00 N ATOM 615 CA ILE A 41 3.287 -4.692 19.573 1.00 0.00 C ATOM 616 C ILE A 41 3.710 -5.734 20.657 1.00 0.00 C ATOM 617 O ILE A 41 4.854 -5.732 21.125 1.00 0.00 O ATOM 618 CB ILE A 41 3.907 -5.058 18.176 1.00 0.00 C ATOM 619 CG1 ILE A 41 3.928 -3.956 17.076 1.00 0.00 C ATOM 620 CG2 ILE A 41 3.288 -6.352 17.589 1.00 0.00 C ATOM 621 CD1 ILE A 41 2.584 -3.373 16.631 1.00 0.00 C ATOM 0 H ILE A 41 4.519 -2.973 19.571 1.00 0.00 H new ATOM 0 HA ILE A 41 2.205 -4.705 19.438 1.00 0.00 H new ATOM 0 HB ILE A 41 4.955 -5.200 18.440 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.548 -3.135 17.435 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.423 -4.368 16.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.745 -6.568 16.623 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.469 -7.183 18.270 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.214 -6.216 17.460 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.751 -2.618 15.862 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.958 -4.169 16.228 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.085 -2.916 17.485 1.00 0.00 H new ATOM 633 N VAL A 42 2.775 -6.619 21.031 1.00 0.00 N ATOM 634 CA VAL A 42 3.036 -7.718 22.000 1.00 0.00 C ATOM 635 C VAL A 42 2.544 -9.014 21.291 1.00 0.00 C ATOM 636 O VAL A 42 1.379 -9.401 21.421 1.00 0.00 O ATOM 637 CB VAL A 42 2.382 -7.433 23.401 1.00 0.00 C ATOM 638 CG1 VAL A 42 2.594 -8.588 24.409 1.00 0.00 C ATOM 639 CG2 VAL A 42 2.890 -6.128 24.065 1.00 0.00 C ATOM 0 H VAL A 42 1.818 -6.602 20.678 1.00 0.00 H new ATOM 0 HA VAL A 42 4.092 -7.820 22.251 1.00 0.00 H new ATOM 0 HB VAL A 42 1.321 -7.330 23.174 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.121 -8.334 25.358 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.149 -9.502 24.014 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.662 -8.743 24.566 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.397 -5.994 25.028 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.968 -6.192 24.215 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.663 -5.279 23.420 1.00 0.00 H new ATOM 649 N GLN A 43 3.461 -9.684 20.564 1.00 0.00 N ATOM 650 CA GLN A 43 3.200 -11.007 19.939 1.00 0.00 C ATOM 651 C GLN A 43 3.580 -12.115 20.963 1.00 0.00 C ATOM 652 O GLN A 43 4.758 -12.296 21.289 1.00 0.00 O ATOM 653 CB GLN A 43 4.010 -11.116 18.616 1.00 0.00 C ATOM 654 CG GLN A 43 3.826 -12.439 17.835 1.00 0.00 C ATOM 655 CD GLN A 43 4.765 -12.592 16.624 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.968 -12.337 16.699 1.00 0.00 O ATOM 657 NE2 GLN A 43 4.254 -13.046 15.490 1.00 0.00 N ATOM 0 H GLN A 43 4.402 -9.329 20.391 1.00 0.00 H new ATOM 0 HA GLN A 43 2.147 -11.128 19.684 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.727 -10.288 17.967 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.068 -10.993 18.846 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.989 -13.275 18.515 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.794 -12.504 17.491 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.258 -13.257 15.428 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.856 -13.185 14.679 1.00 0.00 H new ATOM 666 N ASN A 44 2.564 -12.865 21.426 1.00 0.00 N ATOM 667 CA ASN A 44 2.755 -14.086 22.247 1.00 0.00 C ATOM 668 C ASN A 44 2.348 -15.318 21.383 1.00 0.00 C ATOM 669 O ASN A 44 1.250 -15.864 21.532 1.00 0.00 O ATOM 670 CB ASN A 44 1.961 -13.907 23.574 1.00 0.00 C ATOM 671 CG ASN A 44 2.139 -15.036 24.602 1.00 0.00 C ATOM 672 OD1 ASN A 44 1.374 -16.000 24.633 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.134 -14.938 25.466 1.00 0.00 N ATOM 0 H ASN A 44 1.585 -12.646 21.244 1.00 0.00 H new ATOM 0 HA ASN A 44 3.791 -14.256 22.541 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.263 -12.967 24.035 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.901 -13.819 23.335 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.274 -15.665 26.167 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.762 -14.135 25.432 1.00 0.00 H new ATOM 680 N GLY A 45 3.238 -15.720 20.452 1.00 0.00 N ATOM 681 CA GLY A 45 2.930 -16.749 19.431 1.00 0.00 C ATOM 682 C GLY A 45 1.961 -16.229 18.345 1.00 0.00 C ATOM 683 O GLY A 45 2.329 -15.375 17.533 1.00 0.00 O ATOM 0 H GLY A 45 4.184 -15.345 20.385 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.856 -17.079 18.960 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.492 -17.620 19.918 1.00 0.00 H new ATOM 687 N LYS A 46 0.717 -16.728 18.391 1.00 0.00 N ATOM 688 CA LYS A 46 -0.426 -16.145 17.629 1.00 0.00 C ATOM 689 C LYS A 46 -1.241 -15.019 18.353 1.00 0.00 C ATOM 690 O LYS A 46 -1.963 -14.291 17.668 1.00 0.00 O ATOM 691 CB LYS A 46 -1.351 -17.278 17.098 1.00 0.00 C ATOM 692 CG LYS A 46 -2.075 -18.161 18.144 1.00 0.00 C ATOM 693 CD LYS A 46 -3.012 -19.203 17.502 1.00 0.00 C ATOM 694 CE LYS A 46 -3.767 -20.045 18.546 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.642 -21.043 17.904 1.00 0.00 N ATOM 0 H LYS A 46 0.463 -17.542 18.951 1.00 0.00 H new ATOM 0 HA LYS A 46 0.035 -15.616 16.795 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.109 -16.822 16.461 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.752 -17.931 16.464 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.333 -18.675 18.755 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.653 -17.523 18.813 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.732 -18.693 16.863 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.429 -19.864 16.861 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.051 -20.550 19.194 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.364 -19.390 19.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.950 -21.741 18.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.475 -20.567 17.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.120 -21.526 17.145 1.00 0.00 H new ATOM 709 N HIS A 47 -1.167 -14.873 19.694 1.00 0.00 N ATOM 710 CA HIS A 47 -2.050 -13.961 20.470 1.00 0.00 C ATOM 711 C HIS A 47 -1.419 -12.542 20.548 1.00 0.00 C ATOM 712 O HIS A 47 -0.484 -12.291 21.314 1.00 0.00 O ATOM 713 CB HIS A 47 -2.324 -14.554 21.880 1.00 0.00 C ATOM 714 CG HIS A 47 -3.179 -15.826 21.889 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.672 -17.114 21.915 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.582 -15.869 21.796 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.837 -17.827 21.816 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.045 -17.177 21.743 1.00 0.00 N ATOM 0 H HIS A 47 -0.497 -15.380 20.272 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.009 -13.865 19.962 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.369 -14.772 22.359 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.819 -13.796 22.487 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.218 -14.996 21.769 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.806 -18.906 21.795 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.994 -17.544 21.672 1.00 0.00 H new ATOM 726 N PHE A 48 -1.959 -11.633 19.723 1.00 0.00 N ATOM 727 CA PHE A 48 -1.472 -10.236 19.588 1.00 0.00 C ATOM 728 C PHE A 48 -2.303 -9.230 20.435 1.00 0.00 C ATOM 729 O PHE A 48 -3.520 -9.364 20.608 1.00 0.00 O ATOM 730 CB PHE A 48 -1.556 -9.817 18.090 1.00 0.00 C ATOM 731 CG PHE A 48 -0.317 -10.103 17.227 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.151 -11.350 16.617 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.569 -9.064 16.917 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.873 -11.547 15.695 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.583 -9.262 15.985 1.00 0.00 C ATOM 736 CZ PHE A 48 1.731 -10.500 15.370 1.00 0.00 C ATOM 0 H PHE A 48 -2.755 -11.841 19.120 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.446 -10.208 19.954 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.409 -10.325 17.641 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.763 -8.748 18.046 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.819 -12.163 16.862 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.465 -8.105 17.403 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.002 -12.514 15.231 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.255 -8.453 15.739 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.512 -10.650 14.639 1.00 0.00 H new ATOM 746 N LYS A 49 -1.624 -8.141 20.839 1.00 0.00 N ATOM 747 CA LYS A 49 -2.275 -6.820 21.054 1.00 0.00 C ATOM 748 C LYS A 49 -1.273 -5.694 20.680 1.00 0.00 C ATOM 749 O LYS A 49 -0.077 -5.785 20.977 1.00 0.00 O ATOM 750 CB LYS A 49 -2.935 -6.637 22.449 1.00 0.00 C ATOM 751 CG LYS A 49 -2.070 -6.731 23.726 1.00 0.00 C ATOM 752 CD LYS A 49 -1.333 -5.439 24.139 1.00 0.00 C ATOM 753 CE LYS A 49 -0.686 -5.558 25.531 1.00 0.00 C ATOM 754 NZ LYS A 49 0.061 -4.339 25.890 1.00 0.00 N ATOM 0 H LYS A 49 -0.621 -8.142 21.026 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.134 -6.762 20.385 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.418 -5.660 22.455 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.725 -7.383 22.536 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.709 -7.041 24.552 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.330 -7.518 23.583 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.564 -5.210 23.401 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.035 -4.606 24.137 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.459 -5.744 26.277 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.013 -6.415 25.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.483 -4.456 26.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.814 -4.175 25.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.586 -3.525 25.898 1.00 0.00 H new ATOM 768 N PHE A 50 -1.779 -4.625 20.041 1.00 0.00 N ATOM 769 CA PHE A 50 -0.962 -3.439 19.667 1.00 0.00 C ATOM 770 C PHE A 50 -1.599 -2.157 20.258 1.00 0.00 C ATOM 771 O PHE A 50 -2.679 -1.734 19.835 1.00 0.00 O ATOM 772 CB PHE A 50 -0.608 -3.357 18.159 1.00 0.00 C ATOM 773 CG PHE A 50 -1.683 -3.283 17.056 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.344 -4.440 16.627 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.873 -2.088 16.351 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.189 -4.396 15.519 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.707 -2.052 15.236 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.367 -3.205 14.823 1.00 0.00 C ATOM 0 H PHE A 50 -2.759 -4.551 19.767 1.00 0.00 H new ATOM 0 HA PHE A 50 0.022 -3.551 20.123 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.026 -2.479 18.035 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.008 -4.228 17.936 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.199 -5.370 17.156 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.370 -1.189 16.674 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.707 -5.289 15.200 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.841 -1.129 14.692 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.018 -3.175 13.962 1.00 0.00 H new ATOM 788 N THR A 51 -0.912 -1.565 21.257 1.00 0.00 N ATOM 789 CA THR A 51 -1.468 -0.473 22.098 1.00 0.00 C ATOM 790 C THR A 51 -1.061 0.891 21.474 1.00 0.00 C ATOM 791 O THR A 51 0.054 1.374 21.689 1.00 0.00 O ATOM 792 CB THR A 51 -0.996 -0.626 23.579 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.138 -1.968 24.036 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.789 0.261 24.555 1.00 0.00 C ATOM 0 H THR A 51 0.042 -1.826 21.507 1.00 0.00 H new ATOM 0 HA THR A 51 -2.557 -0.525 22.120 1.00 0.00 H new ATOM 0 HB THR A 51 0.050 -0.321 23.571 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.261 -2.319 24.299 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.416 0.111 25.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.669 1.308 24.275 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.845 -0.007 24.514 1.00 0.00 H new ATOM 802 N ILE A 52 -1.981 1.492 20.699 1.00 0.00 N ATOM 803 CA ILE A 52 -1.697 2.711 19.889 1.00 0.00 C ATOM 804 C ILE A 52 -1.931 3.952 20.804 1.00 0.00 C ATOM 805 O ILE A 52 -3.043 4.159 21.299 1.00 0.00 O ATOM 806 CB ILE A 52 -2.559 2.778 18.573 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.562 1.471 17.720 1.00 0.00 C ATOM 808 CG2 ILE A 52 -2.105 3.967 17.687 1.00 0.00 C ATOM 809 CD1 ILE A 52 -3.586 1.440 16.573 1.00 0.00 C ATOM 0 H ILE A 52 -2.940 1.156 20.610 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.663 2.687 19.546 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.584 2.916 18.918 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.566 1.328 17.301 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.754 0.626 18.380 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.711 3.998 16.782 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.228 4.899 18.238 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.057 3.840 17.417 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.508 0.491 16.042 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.592 1.547 16.980 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.385 2.260 15.883 1.00 0.00 H new ATOM 821 N THR A 53 -0.881 4.770 20.996 1.00 0.00 N ATOM 822 CA THR A 53 -0.958 6.018 21.808 1.00 0.00 C ATOM 823 C THR A 53 -0.450 7.203 20.939 1.00 0.00 C ATOM 824 O THR A 53 0.684 7.177 20.445 1.00 0.00 O ATOM 825 CB THR A 53 -0.193 5.916 23.162 1.00 0.00 C ATOM 826 OG1 THR A 53 1.191 5.650 22.967 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.751 4.861 24.134 1.00 0.00 C ATOM 0 H THR A 53 0.043 4.595 20.600 1.00 0.00 H new ATOM 0 HA THR A 53 -1.998 6.186 22.089 1.00 0.00 H new ATOM 0 HB THR A 53 -0.338 6.896 23.617 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.295 4.848 22.414 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.158 4.859 25.049 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.787 5.099 24.374 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.703 3.876 23.669 1.00 0.00 H new ATOM 835 N ALA A 54 -1.289 8.246 20.772 1.00 0.00 N ATOM 836 CA ALA A 54 -0.878 9.512 20.106 1.00 0.00 C ATOM 837 C ALA A 54 -1.602 10.713 20.774 1.00 0.00 C ATOM 838 O ALA A 54 -2.647 11.177 20.301 1.00 0.00 O ATOM 839 CB ALA A 54 -1.124 9.433 18.584 1.00 0.00 C ATOM 0 H ALA A 54 -2.259 8.242 21.088 1.00 0.00 H new ATOM 0 HA ALA A 54 0.194 9.665 20.235 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.817 10.369 18.117 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.545 8.610 18.164 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.184 9.264 18.395 1.00 0.00 H new ATOM 845 N GLY A 55 -1.023 11.211 21.887 1.00 0.00 N ATOM 846 CA GLY A 55 -1.521 12.415 22.599 1.00 0.00 C ATOM 847 C GLY A 55 -2.888 12.274 23.299 1.00 0.00 C ATOM 848 O GLY A 55 -3.871 12.866 22.846 1.00 0.00 O ATOM 0 H GLY A 55 -0.199 10.793 22.319 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.781 12.702 23.346 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.585 13.234 21.883 1.00 0.00 H new ATOM 852 N SER A 56 -2.940 11.480 24.386 1.00 0.00 N ATOM 853 CA SER A 56 -4.204 11.118 25.098 1.00 0.00 C ATOM 854 C SER A 56 -5.288 10.449 24.188 1.00 0.00 C ATOM 855 O SER A 56 -6.391 10.980 24.011 1.00 0.00 O ATOM 856 CB SER A 56 -4.750 12.292 25.954 1.00 0.00 C ATOM 857 OG SER A 56 -3.791 12.742 26.904 1.00 0.00 O ATOM 0 H SER A 56 -2.108 11.064 24.805 1.00 0.00 H new ATOM 0 HA SER A 56 -3.929 10.328 25.797 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.031 13.118 25.301 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.654 11.974 26.473 1.00 0.00 H new ATOM 0 HG SER A 56 -4.168 13.482 27.424 1.00 0.00 H new ATOM 863 N LYS A 57 -4.943 9.289 23.596 1.00 0.00 N ATOM 864 CA LYS A 57 -5.847 8.527 22.696 1.00 0.00 C ATOM 865 C LYS A 57 -5.344 7.057 22.724 1.00 0.00 C ATOM 866 O LYS A 57 -4.502 6.668 21.909 1.00 0.00 O ATOM 867 CB LYS A 57 -5.881 9.165 21.274 1.00 0.00 C ATOM 868 CG LYS A 57 -6.875 8.505 20.290 1.00 0.00 C ATOM 869 CD LYS A 57 -6.991 9.184 18.905 1.00 0.00 C ATOM 870 CE LYS A 57 -7.623 10.592 18.866 1.00 0.00 C ATOM 871 NZ LYS A 57 -9.034 10.605 19.293 1.00 0.00 N ATOM 0 H LYS A 57 -4.032 8.850 23.725 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.886 8.554 23.025 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.135 10.221 21.371 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.880 9.116 20.845 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.578 7.467 20.142 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.862 8.491 20.752 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.992 9.249 18.475 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.576 8.532 18.256 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.049 11.259 19.509 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.553 10.987 17.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.546 11.349 18.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.467 9.682 19.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.086 10.794 20.314 1.00 0.00 H new ATOM 885 N VAL A 58 -5.863 6.256 23.678 1.00 0.00 N ATOM 886 CA VAL A 58 -5.388 4.862 23.913 1.00 0.00 C ATOM 887 C VAL A 58 -6.381 3.925 23.164 1.00 0.00 C ATOM 888 O VAL A 58 -7.514 3.713 23.612 1.00 0.00 O ATOM 889 CB VAL A 58 -5.229 4.514 25.435 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.583 3.121 25.636 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.402 5.542 26.248 1.00 0.00 C ATOM 0 H VAL A 58 -6.614 6.546 24.304 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.379 4.731 23.522 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.251 4.531 25.814 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.489 2.914 26.702 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.210 2.359 25.172 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.595 3.108 25.175 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.344 5.221 27.288 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.397 5.610 25.833 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.883 6.519 26.196 1.00 0.00 H new ATOM 901 N ILE A 59 -5.933 3.396 22.014 1.00 0.00 N ATOM 902 CA ILE A 59 -6.768 2.561 21.109 1.00 0.00 C ATOM 903 C ILE A 59 -6.005 1.210 20.989 1.00 0.00 C ATOM 904 O ILE A 59 -5.053 1.095 20.209 1.00 0.00 O ATOM 905 CB ILE A 59 -7.030 3.324 19.759 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.834 4.656 19.895 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.696 2.440 18.685 1.00 0.00 C ATOM 908 CD1 ILE A 59 -9.300 4.556 20.356 1.00 0.00 C ATOM 0 H ILE A 59 -4.980 3.531 21.677 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.773 2.359 21.480 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.023 3.589 19.437 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.303 5.299 20.597 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.819 5.159 18.928 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.850 3.024 17.778 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.052 1.589 18.464 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.657 2.082 19.054 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.735 5.554 20.406 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.864 3.950 19.647 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.341 4.093 21.342 1.00 0.00 H new ATOM 920 N GLN A 60 -6.421 0.204 21.786 1.00 0.00 N ATOM 921 CA GLN A 60 -5.687 -1.083 21.918 1.00 0.00 C ATOM 922 C GLN A 60 -6.388 -2.189 21.087 1.00 0.00 C ATOM 923 O GLN A 60 -7.528 -2.578 21.357 1.00 0.00 O ATOM 924 CB GLN A 60 -5.564 -1.456 23.420 1.00 0.00 C ATOM 925 CG GLN A 60 -4.582 -2.616 23.705 1.00 0.00 C ATOM 926 CD GLN A 60 -4.599 -3.094 25.164 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.430 -3.916 25.553 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.693 -2.607 25.996 1.00 0.00 N ATOM 0 H GLN A 60 -7.267 0.254 22.354 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.678 -0.980 21.519 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.241 -0.576 23.976 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.550 -1.728 23.798 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.826 -3.455 23.054 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.572 -2.297 23.448 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.009 -1.927 25.664 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.678 -2.912 26.969 1.00 0.00 H new ATOM 937 N ASN A 61 -5.660 -2.687 20.078 1.00 0.00 N ATOM 938 CA ASN A 61 -6.230 -3.520 18.990 1.00 0.00 C ATOM 939 C ASN A 61 -5.837 -4.997 19.253 1.00 0.00 C ATOM 940 O ASN A 61 -4.700 -5.404 18.993 1.00 0.00 O ATOM 941 CB ASN A 61 -5.687 -2.998 17.634 1.00 0.00 C ATOM 942 CG ASN A 61 -6.113 -1.573 17.227 1.00 0.00 C ATOM 943 OD1 ASN A 61 -5.745 -0.591 17.869 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.873 -1.414 16.161 1.00 0.00 N ATOM 0 H ASN A 61 -4.657 -2.528 19.986 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.318 -3.460 18.959 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.598 -3.033 17.666 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.005 -3.686 16.851 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.154 -0.478 15.870 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.179 -2.227 15.627 1.00 0.00 H new ATOM 951 N GLU A 62 -6.783 -5.776 19.807 1.00 0.00 N ATOM 952 CA GLU A 62 -6.510 -7.133 20.345 1.00 0.00 C ATOM 953 C GLU A 62 -7.012 -8.164 19.307 1.00 0.00 C ATOM 954 O GLU A 62 -8.209 -8.226 19.008 1.00 0.00 O ATOM 955 CB GLU A 62 -7.198 -7.283 21.733 1.00 0.00 C ATOM 956 CG GLU A 62 -6.773 -8.499 22.593 1.00 0.00 C ATOM 957 CD GLU A 62 -7.241 -9.872 22.094 1.00 0.00 C ATOM 958 OE1 GLU A 62 -8.462 -10.141 22.111 1.00 0.00 O ATOM 959 OE2 GLU A 62 -6.387 -10.685 21.672 1.00 0.00 O ATOM 0 H GLU A 62 -7.758 -5.489 19.897 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.445 -7.302 20.504 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.006 -6.377 22.307 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.275 -7.338 21.575 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.685 -8.510 22.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.152 -8.354 23.605 1.00 0.00 H new ATOM 966 N PHE A 63 -6.080 -8.976 18.777 1.00 0.00 N ATOM 967 CA PHE A 63 -6.404 -9.988 17.739 1.00 0.00 C ATOM 968 C PHE A 63 -5.692 -11.352 17.977 1.00 0.00 C ATOM 969 O PHE A 63 -4.805 -11.487 18.824 1.00 0.00 O ATOM 970 CB PHE A 63 -6.226 -9.354 16.327 1.00 0.00 C ATOM 971 CG PHE A 63 -4.801 -9.267 15.742 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.292 -10.341 15.002 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.024 -8.115 15.899 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.030 -10.264 14.426 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.759 -8.040 15.315 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.266 -9.113 14.579 1.00 0.00 C ATOM 0 H PHE A 63 -5.096 -8.956 19.046 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.454 -10.270 17.812 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.839 -9.922 15.627 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.634 -8.344 16.362 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.884 -11.235 14.878 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.403 -7.282 16.473 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.643 -11.098 13.860 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.162 -7.148 15.434 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.288 -9.051 14.126 1.00 0.00 H new ATOM 986 N THR A 64 -6.095 -12.364 17.188 1.00 0.00 N ATOM 987 CA THR A 64 -5.365 -13.657 17.074 1.00 0.00 C ATOM 988 C THR A 64 -5.276 -14.005 15.555 1.00 0.00 C ATOM 989 O THR A 64 -6.255 -13.869 14.811 1.00 0.00 O ATOM 990 CB THR A 64 -6.037 -14.772 17.931 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.239 -14.325 19.269 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.194 -16.052 18.027 1.00 0.00 C ATOM 0 H THR A 64 -6.933 -12.317 16.609 1.00 0.00 H new ATOM 0 HA THR A 64 -4.356 -13.575 17.479 1.00 0.00 H new ATOM 0 HB THR A 64 -6.977 -14.991 17.425 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.663 -15.038 19.791 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.718 -16.788 18.637 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.033 -16.457 17.028 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.232 -15.821 18.484 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.086 -14.454 15.097 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.778 -14.617 13.641 1.00 0.00 C ATOM 1002 C VAL A 65 -4.575 -15.822 13.040 1.00 0.00 C ATOM 1003 O VAL A 65 -4.567 -16.928 13.595 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.246 -14.764 13.313 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.951 -14.401 11.839 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.261 -13.948 14.178 1.00 0.00 C ATOM 0 H VAL A 65 -3.314 -14.713 15.711 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.097 -13.686 13.172 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.068 -15.815 13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.885 -14.512 11.643 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.512 -15.065 11.181 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.248 -13.369 11.652 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.240 -14.141 13.847 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.481 -12.885 14.075 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.365 -14.241 15.223 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.272 -15.573 11.919 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.225 -16.548 11.326 1.00 0.00 C ATOM 1018 C GLY A 66 -7.557 -16.826 12.075 1.00 0.00 C ATOM 1019 O GLY A 66 -8.143 -17.891 11.871 1.00 0.00 O ATOM 0 H GLY A 66 -5.198 -14.700 11.396 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.474 -16.201 10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.702 -17.498 11.214 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.025 -15.886 12.919 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.243 -16.044 13.755 1.00 0.00 C ATOM 1025 C GLU A 67 -9.952 -14.664 13.823 1.00 0.00 C ATOM 1026 O GLU A 67 -9.307 -13.618 13.982 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.881 -16.527 15.190 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.404 -17.994 15.292 1.00 0.00 C ATOM 1029 CD GLU A 67 -8.020 -18.413 16.713 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -8.914 -18.500 17.584 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -6.822 -18.668 16.963 1.00 0.00 O ATOM 0 H GLU A 67 -7.567 -14.984 13.045 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.897 -16.796 13.313 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.099 -15.880 15.587 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.755 -16.401 15.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.194 -18.651 14.929 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.545 -18.135 14.635 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.301 -14.672 13.750 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.121 -13.431 13.848 1.00 0.00 C ATOM 1040 C GLU A 68 -12.093 -12.855 15.293 1.00 0.00 C ATOM 1041 O GLU A 68 -12.496 -13.516 16.256 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.561 -13.609 13.284 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.486 -14.684 13.905 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.233 -14.292 15.185 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.965 -13.278 15.181 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -15.097 -15.004 16.204 1.00 0.00 O ATOM 0 H GLU A 68 -11.851 -15.522 13.624 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.659 -12.685 13.201 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.069 -12.649 13.371 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.472 -13.827 12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.223 -14.973 13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.885 -15.568 14.119 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.529 -11.646 15.423 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.204 -11.034 16.738 1.00 0.00 C ATOM 1055 C CYS A 69 -11.285 -9.485 16.667 1.00 0.00 C ATOM 1056 O CYS A 69 -11.018 -8.856 15.634 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.810 -11.489 17.219 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.773 -13.281 17.556 1.00 0.00 S ATOM 0 H CYS A 69 -11.282 -11.058 14.627 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.944 -11.375 17.462 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.065 -11.244 16.462 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.539 -10.942 18.122 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.937 -13.796 17.293 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.677 -8.880 17.803 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.164 -7.479 17.852 1.00 0.00 C ATOM 1066 C GLU A 70 -11.019 -6.425 17.935 1.00 0.00 C ATOM 1067 O GLU A 70 -10.317 -6.328 18.946 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.262 -7.353 18.943 1.00 0.00 C ATOM 1069 CG GLU A 70 -12.849 -7.525 20.424 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.055 -7.581 21.365 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -14.508 -6.517 21.840 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -14.559 -8.695 21.632 1.00 0.00 O ATOM 0 H GLU A 70 -11.667 -9.342 18.712 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.633 -7.233 16.899 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.723 -6.371 18.839 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.033 -8.092 18.725 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.265 -8.439 20.531 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.202 -6.698 20.716 1.00 0.00 H new ATOM 1079 N LEU A 71 -10.850 -5.641 16.852 1.00 0.00 N ATOM 1080 CA LEU A 71 -9.822 -4.565 16.770 1.00 0.00 C ATOM 1081 C LEU A 71 -10.475 -3.235 17.227 1.00 0.00 C ATOM 1082 O LEU A 71 -11.433 -2.777 16.597 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.310 -4.410 15.304 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.541 -5.601 14.666 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.424 -5.412 13.142 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.134 -5.796 15.257 1.00 0.00 C ATOM 0 H LEU A 71 -11.416 -5.729 16.008 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.975 -4.819 17.408 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.171 -4.192 14.672 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.659 -3.536 15.269 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.122 -6.494 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.883 -6.255 12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.421 -5.359 12.704 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.885 -4.488 12.930 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.649 -6.642 14.770 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.542 -4.895 15.093 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.212 -5.989 16.327 1.00 0.00 H new ATOM 1098 N GLU A 72 -9.964 -2.586 18.291 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.528 -1.294 18.782 1.00 0.00 C ATOM 1100 C GLU A 72 -10.329 -0.168 17.730 1.00 0.00 C ATOM 1101 O GLU A 72 -9.195 0.175 17.389 1.00 0.00 O ATOM 1102 CB GLU A 72 -9.915 -0.932 20.158 1.00 0.00 C ATOM 1103 CG GLU A 72 -10.633 0.210 20.914 1.00 0.00 C ATOM 1104 CD GLU A 72 -10.044 0.532 22.296 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -9.638 -0.395 23.033 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -10.004 1.728 22.660 1.00 0.00 O ATOM 0 H GLU A 72 -9.167 -2.925 18.830 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.603 -1.405 18.923 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.920 -1.823 20.786 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.872 -0.651 20.012 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.600 1.111 20.301 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.683 -0.056 21.034 1.00 0.00 H new ATOM 1113 N THR A 73 -11.445 0.361 17.196 1.00 0.00 N ATOM 1114 CA THR A 73 -11.404 1.401 16.131 1.00 0.00 C ATOM 1115 C THR A 73 -11.174 2.815 16.738 1.00 0.00 C ATOM 1116 O THR A 73 -11.609 3.117 17.856 1.00 0.00 O ATOM 1117 CB THR A 73 -12.668 1.355 15.217 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.839 1.744 15.924 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.939 -0.006 14.552 1.00 0.00 C ATOM 0 H THR A 73 -12.388 0.092 17.478 1.00 0.00 H new ATOM 0 HA THR A 73 -10.552 1.177 15.489 1.00 0.00 H new ATOM 0 HB THR A 73 -12.437 2.065 14.423 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.630 1.555 15.376 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.837 0.062 13.938 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.090 -0.280 13.925 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.082 -0.765 15.321 1.00 0.00 H new ATOM 1127 N MET A 74 -10.507 3.686 15.959 1.00 0.00 N ATOM 1128 CA MET A 74 -10.228 5.099 16.359 1.00 0.00 C ATOM 1129 C MET A 74 -11.492 5.990 16.609 1.00 0.00 C ATOM 1130 O MET A 74 -11.453 6.828 17.514 1.00 0.00 O ATOM 1131 CB MET A 74 -9.245 5.781 15.370 1.00 0.00 C ATOM 1132 CG MET A 74 -7.875 5.096 15.176 1.00 0.00 C ATOM 1133 SD MET A 74 -8.039 3.717 14.012 1.00 0.00 S ATOM 1134 CE MET A 74 -7.178 2.374 14.855 1.00 0.00 C ATOM 0 H MET A 74 -10.143 3.443 15.037 1.00 0.00 H new ATOM 0 HA MET A 74 -9.755 5.016 17.338 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.733 5.850 14.398 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.071 6.801 15.712 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.148 5.816 14.801 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.500 4.734 16.133 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.977 1.570 14.147 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.236 2.744 15.261 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.800 1.996 15.667 1.00 0.00 H new ATOM 1144 N THR A 75 -12.611 5.770 15.882 1.00 0.00 N ATOM 1145 CA THR A 75 -13.958 6.286 16.267 1.00 0.00 C ATOM 1146 C THR A 75 -14.486 5.672 17.609 1.00 0.00 C ATOM 1147 O THR A 75 -14.705 6.424 18.563 1.00 0.00 O ATOM 1148 CB THR A 75 -14.998 6.159 15.108 1.00 0.00 C ATOM 1149 OG1 THR A 75 -15.183 4.800 14.719 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.662 6.970 13.849 1.00 0.00 C ATOM 0 H THR A 75 -12.613 5.233 15.015 1.00 0.00 H new ATOM 0 HA THR A 75 -13.827 7.352 16.454 1.00 0.00 H new ATOM 0 HB THR A 75 -15.911 6.575 15.533 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.840 4.754 13.994 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.440 6.819 13.101 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.603 8.028 14.103 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.704 6.639 13.448 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.669 4.336 17.677 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.106 3.633 18.903 1.00 0.00 C ATOM 1160 C GLY A 76 -16.108 2.519 18.559 1.00 0.00 C ATOM 1161 O GLY A 76 -17.298 2.804 18.392 1.00 0.00 O ATOM 0 H GLY A 76 -14.518 3.714 16.883 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.241 3.208 19.413 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.565 4.342 19.592 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.629 1.263 18.453 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.490 0.094 18.110 1.00 0.00 C ATOM 1167 C GLU A 77 -15.957 -1.223 18.745 1.00 0.00 C ATOM 1168 O GLU A 77 -16.690 -1.845 19.518 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.748 -0.012 16.575 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.824 -1.049 16.179 1.00 0.00 C ATOM 1171 CD GLU A 77 -18.120 -1.073 14.678 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.338 -1.681 13.915 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -19.138 -0.484 14.252 1.00 0.00 O ATOM 0 H GLU A 77 -14.648 1.023 18.599 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.469 0.263 18.559 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.049 0.967 16.201 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.812 -0.269 16.078 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.496 -2.040 16.493 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -18.745 -0.831 16.720 1.00 0.00 H new ATOM 1180 N LYS A 78 -14.741 -1.673 18.363 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.224 -3.053 18.622 1.00 0.00 C ATOM 1182 C LYS A 78 -14.847 -4.024 17.575 1.00 0.00 C ATOM 1183 O LYS A 78 -15.968 -4.507 17.754 1.00 0.00 O ATOM 1184 CB LYS A 78 -14.262 -3.574 20.090 1.00 0.00 C ATOM 1185 CG LYS A 78 -13.487 -2.704 21.105 1.00 0.00 C ATOM 1186 CD LYS A 78 -13.583 -3.211 22.556 1.00 0.00 C ATOM 1187 CE LYS A 78 -12.833 -2.296 23.542 1.00 0.00 C ATOM 1188 NZ LYS A 78 -12.967 -2.768 24.931 1.00 0.00 N ATOM 0 H LYS A 78 -14.075 -1.087 17.859 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.144 -3.003 18.486 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.302 -3.642 20.410 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.855 -4.585 20.113 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.438 -2.666 20.811 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.867 -1.683 21.060 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.631 -3.275 22.848 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.173 -4.219 22.615 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.778 -2.256 23.271 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.221 -1.280 23.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.450 -2.128 25.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.972 -2.782 25.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.574 -3.728 25.011 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.122 -4.236 16.458 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.695 -4.756 15.185 1.00 0.00 C ATOM 1204 C VAL A 79 -14.126 -6.171 14.873 1.00 0.00 C ATOM 1205 O VAL A 79 -12.923 -6.329 14.632 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.472 -3.695 14.052 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.011 -3.427 13.622 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.288 -4.014 12.789 1.00 0.00 C ATOM 0 H VAL A 79 -13.120 -4.053 16.406 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.773 -4.897 15.268 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.821 -2.783 14.536 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.996 -2.675 12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.440 -3.067 14.478 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.566 -4.350 13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.101 -3.252 12.033 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.993 -4.989 12.402 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.350 -4.028 13.036 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.009 -7.189 14.850 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.622 -8.606 14.609 1.00 0.00 C ATOM 1220 C LYS A 80 -14.193 -8.847 13.132 1.00 0.00 C ATOM 1221 O LYS A 80 -15.001 -8.728 12.206 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.727 -9.574 15.126 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.137 -9.522 14.478 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.402 -10.598 13.398 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.719 -10.425 12.617 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.922 -10.684 13.433 1.00 0.00 N ATOM 0 H LYS A 80 -16.010 -7.060 14.997 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.730 -8.832 15.194 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.351 -10.591 15.015 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.849 -9.394 16.194 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.885 -9.626 15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.279 -8.538 14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.573 -10.592 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.406 -11.578 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.768 -9.410 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.717 -11.100 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.773 -10.551 12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.896 -11.661 13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.946 -10.023 14.236 1.00 0.00 H new ATOM 1240 N THR A 81 -12.891 -9.119 12.937 1.00 0.00 N ATOM 1241 CA THR A 81 -12.271 -9.264 11.591 1.00 0.00 C ATOM 1242 C THR A 81 -11.111 -10.294 11.673 1.00 0.00 C ATOM 1243 O THR A 81 -10.307 -10.293 12.615 1.00 0.00 O ATOM 1244 CB THR A 81 -11.750 -7.919 10.991 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.872 -7.254 11.894 1.00 0.00 O ATOM 1246 CG2 THR A 81 -12.851 -6.936 10.561 1.00 0.00 C ATOM 0 H THR A 81 -12.231 -9.246 13.704 1.00 0.00 H new ATOM 0 HA THR A 81 -13.053 -9.612 10.916 1.00 0.00 H new ATOM 0 HB THR A 81 -11.220 -8.219 10.087 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.049 -7.003 11.425 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.394 -6.032 10.157 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.475 -7.400 9.797 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.465 -6.678 11.424 1.00 0.00 H new ATOM 1254 N VAL A 82 -11.003 -11.140 10.628 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.912 -12.148 10.496 1.00 0.00 C ATOM 1256 C VAL A 82 -8.629 -11.405 10.008 1.00 0.00 C ATOM 1257 O VAL A 82 -8.616 -10.832 8.911 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.310 -13.323 9.534 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.221 -14.420 9.476 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.645 -14.027 9.876 1.00 0.00 C ATOM 0 H VAL A 82 -11.663 -11.150 9.851 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.723 -12.614 11.463 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.424 -12.821 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.539 -15.213 8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.288 -13.987 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.068 -14.834 10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.832 -14.823 9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.586 -14.452 10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.459 -13.303 9.836 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.561 -11.447 10.826 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.261 -10.805 10.486 1.00 0.00 C ATOM 1272 C VAL A 83 -5.348 -11.928 9.917 1.00 0.00 C ATOM 1273 O VAL A 83 -4.818 -12.751 10.669 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.613 -10.062 11.702 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.301 -9.342 11.301 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.550 -9.057 12.416 1.00 0.00 C ATOM 0 H VAL A 83 -7.565 -11.918 11.731 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.409 -10.019 9.746 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.399 -10.857 12.416 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.882 -8.838 12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.585 -10.073 10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.512 -8.608 10.524 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.018 -8.590 13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.867 -8.290 11.709 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.425 -9.583 12.797 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.167 -11.931 8.585 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.356 -12.950 7.885 1.00 0.00 C ATOM 1288 C GLN A 84 -2.902 -12.427 7.717 1.00 0.00 C ATOM 1289 O GLN A 84 -2.673 -11.407 7.055 1.00 0.00 O ATOM 1290 CB GLN A 84 -5.044 -13.257 6.525 1.00 0.00 C ATOM 1291 CG GLN A 84 -4.488 -14.484 5.770 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.001 -15.850 6.267 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -5.925 -16.428 5.694 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -4.422 -16.401 7.324 1.00 0.00 N ATOM 0 H GLN A 84 -5.575 -11.233 7.964 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.294 -13.877 8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.109 -13.410 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.950 -12.382 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.737 -14.383 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.401 -14.474 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.657 -15.919 7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.741 -17.307 7.666 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.925 -13.165 8.281 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.482 -12.898 8.046 1.00 0.00 C ATOM 1305 C LEU A 85 -0.063 -13.491 6.673 1.00 0.00 C ATOM 1306 O LEU A 85 -0.212 -14.692 6.420 1.00 0.00 O ATOM 1307 CB LEU A 85 0.377 -13.449 9.219 1.00 0.00 C ATOM 1308 CG LEU A 85 1.925 -13.304 9.115 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.412 -11.871 8.832 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.610 -13.851 10.381 1.00 0.00 C ATOM 0 H LEU A 85 -2.104 -13.953 8.904 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.307 -11.823 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.054 -12.951 10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.147 -14.508 9.335 1.00 0.00 H new ATOM 0 HG LEU A 85 2.211 -13.898 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.500 -11.861 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.996 -11.526 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.084 -11.210 9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.690 -13.740 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.262 -13.295 11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.363 -14.906 10.502 1.00 0.00 H new ATOM 1322 N GLU A 86 0.458 -12.603 5.812 1.00 0.00 N ATOM 1323 CA GLU A 86 0.864 -12.946 4.428 1.00 0.00 C ATOM 1324 C GLU A 86 2.380 -12.673 4.253 1.00 0.00 C ATOM 1325 O GLU A 86 2.885 -11.595 4.585 1.00 0.00 O ATOM 1326 CB GLU A 86 0.006 -12.148 3.409 1.00 0.00 C ATOM 1327 CG GLU A 86 -1.434 -12.687 3.267 1.00 0.00 C ATOM 1328 CD GLU A 86 -2.308 -11.869 2.312 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -2.028 -11.852 1.094 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -3.290 -11.249 2.777 1.00 0.00 O ATOM 0 H GLU A 86 0.612 -11.623 6.050 1.00 0.00 H new ATOM 0 HA GLU A 86 0.690 -14.005 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.033 -11.103 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.494 -12.174 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.393 -13.718 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.904 -12.705 4.250 1.00 0.00 H new ATOM 1337 N GLY A 87 3.093 -13.686 3.729 1.00 0.00 N ATOM 1338 CA GLY A 87 4.555 -13.614 3.516 1.00 0.00 C ATOM 1339 C GLY A 87 5.351 -14.090 4.745 1.00 0.00 C ATOM 1340 O GLY A 87 5.517 -15.294 4.959 1.00 0.00 O ATOM 0 H GLY A 87 2.678 -14.573 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.824 -14.224 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.835 -12.587 3.280 1.00 0.00 H new ATOM 1344 N ASP A 88 5.844 -13.118 5.526 1.00 0.00 N ATOM 1345 CA ASP A 88 6.658 -13.372 6.750 1.00 0.00 C ATOM 1346 C ASP A 88 6.389 -12.305 7.852 1.00 0.00 C ATOM 1347 O ASP A 88 6.110 -12.665 9.000 1.00 0.00 O ATOM 1348 CB ASP A 88 8.164 -13.520 6.380 1.00 0.00 C ATOM 1349 CG ASP A 88 9.075 -13.970 7.532 1.00 0.00 C ATOM 1350 OD1 ASP A 88 9.169 -15.190 7.788 1.00 0.00 O ATOM 1351 OD2 ASP A 88 9.695 -13.102 8.186 1.00 0.00 O ATOM 0 H ASP A 88 5.696 -12.127 5.336 1.00 0.00 H new ATOM 0 HA ASP A 88 6.348 -14.321 7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.253 -14.238 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.526 -12.563 6.003 1.00 0.00 H new ATOM 1356 N ASN A 89 6.522 -11.018 7.499 1.00 0.00 N ATOM 1357 CA ASN A 89 6.332 -9.872 8.424 1.00 0.00 C ATOM 1358 C ASN A 89 5.421 -8.762 7.805 1.00 0.00 C ATOM 1359 O ASN A 89 5.782 -7.582 7.797 1.00 0.00 O ATOM 1360 CB ASN A 89 7.727 -9.391 8.922 1.00 0.00 C ATOM 1361 CG ASN A 89 8.734 -8.788 7.908 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.465 -8.618 6.719 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.924 -8.450 8.375 1.00 0.00 N ATOM 0 H ASN A 89 6.768 -10.731 6.551 1.00 0.00 H new ATOM 0 HA ASN A 89 5.775 -10.184 9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.557 -8.644 9.697 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.214 -10.241 9.400 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.622 -8.047 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.144 -8.592 9.361 1.00 0.00 H new ATOM 1370 N LYS A 90 4.225 -9.147 7.308 1.00 0.00 N ATOM 1371 CA LYS A 90 3.281 -8.217 6.636 1.00 0.00 C ATOM 1372 C LYS A 90 1.834 -8.694 6.937 1.00 0.00 C ATOM 1373 O LYS A 90 1.301 -9.587 6.271 1.00 0.00 O ATOM 1374 CB LYS A 90 3.646 -8.116 5.125 1.00 0.00 C ATOM 1375 CG LYS A 90 2.914 -7.035 4.294 1.00 0.00 C ATOM 1376 CD LYS A 90 1.535 -7.406 3.700 1.00 0.00 C ATOM 1377 CE LYS A 90 1.472 -8.600 2.724 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.211 -8.375 1.468 1.00 0.00 N ATOM 0 H LYS A 90 3.885 -10.107 7.359 1.00 0.00 H new ATOM 0 HA LYS A 90 3.354 -7.198 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.718 -7.934 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.453 -9.085 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.783 -6.156 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.567 -6.743 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.858 -7.614 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.146 -6.529 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.873 -9.484 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.429 -8.812 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.127 -9.215 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.814 -7.550 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.214 -8.201 1.682 1.00 0.00 H new ATOM 1392 N LEU A 91 1.208 -8.063 7.947 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.196 -8.347 8.362 1.00 0.00 C ATOM 1394 C LEU A 91 -1.211 -7.606 7.444 1.00 0.00 C ATOM 1395 O LEU A 91 -0.927 -6.514 6.938 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.393 -7.906 9.842 1.00 0.00 C ATOM 1397 CG LEU A 91 0.400 -8.697 10.923 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.542 -7.874 12.218 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.220 -10.077 11.218 1.00 0.00 C ATOM 0 H LEU A 91 1.656 -7.337 8.507 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.379 -9.417 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.119 -6.854 9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.454 -7.978 10.079 1.00 0.00 H new ATOM 0 HG LEU A 91 1.394 -8.875 10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.100 -8.450 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.074 -6.947 12.004 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.447 -7.642 12.612 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.372 -10.587 11.979 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.241 -9.948 11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.230 -10.674 10.306 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.391 -8.219 7.227 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.423 -7.693 6.284 1.00 0.00 C ATOM 1413 C VAL A 92 -4.797 -7.811 7.011 1.00 0.00 C ATOM 1414 O VAL A 92 -5.246 -8.917 7.336 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.395 -8.431 4.896 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -4.445 -7.878 3.903 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -2.018 -8.385 4.190 1.00 0.00 C ATOM 0 H VAL A 92 -2.663 -9.086 7.691 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.223 -6.651 6.034 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.628 -9.464 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.380 -8.425 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.443 -7.998 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.253 -6.820 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.079 -8.915 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.736 -7.348 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.268 -8.860 4.823 1.00 0.00 H new ATOM 1427 N THR A 93 -5.464 -6.660 7.231 1.00 0.00 N ATOM 1428 CA THR A 93 -6.819 -6.604 7.849 1.00 0.00 C ATOM 1429 C THR A 93 -7.550 -5.315 7.388 1.00 0.00 C ATOM 1430 O THR A 93 -7.011 -4.210 7.485 1.00 0.00 O ATOM 1431 CB THR A 93 -6.782 -6.745 9.400 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.112 -6.815 9.907 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.015 -5.666 10.192 1.00 0.00 C ATOM 0 H THR A 93 -5.087 -5.743 6.989 1.00 0.00 H new ATOM 0 HA THR A 93 -7.386 -7.467 7.500 1.00 0.00 H new ATOM 0 HB THR A 93 -6.213 -7.662 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.265 -6.072 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.071 -5.888 11.258 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.971 -5.657 9.878 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.460 -4.689 10.001 1.00 0.00 H new ATOM 1441 N THR A 94 -8.800 -5.482 6.925 1.00 0.00 N ATOM 1442 CA THR A 94 -9.638 -4.373 6.397 1.00 0.00 C ATOM 1443 C THR A 94 -10.900 -4.191 7.292 1.00 0.00 C ATOM 1444 O THR A 94 -11.648 -5.141 7.548 1.00 0.00 O ATOM 1445 CB THR A 94 -9.918 -4.569 4.879 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.679 -3.469 4.386 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.616 -5.879 4.472 1.00 0.00 C ATOM 0 H THR A 94 -9.266 -6.389 6.903 1.00 0.00 H new ATOM 0 HA THR A 94 -9.103 -3.425 6.455 1.00 0.00 H new ATOM 0 HB THR A 94 -8.926 -4.626 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.853 -3.594 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.755 -5.897 3.391 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.001 -6.727 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.587 -5.942 4.964 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.102 -2.951 7.771 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.151 -2.607 8.770 1.00 0.00 C ATOM 1457 C PHE A 95 -12.555 -1.109 8.635 1.00 0.00 C ATOM 1458 O PHE A 95 -11.694 -0.247 8.441 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.708 -2.963 10.222 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.486 -2.233 10.827 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.660 -1.041 11.539 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.197 -2.761 10.681 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.565 -0.391 12.104 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.103 -2.108 11.244 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.288 -0.927 11.958 1.00 0.00 C ATOM 0 H PHE A 95 -10.543 -2.149 7.480 1.00 0.00 H new ATOM 0 HA PHE A 95 -13.032 -3.214 8.560 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.558 -2.784 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.501 -4.033 10.251 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.649 -0.622 11.651 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.051 -3.678 10.130 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.706 0.527 12.655 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.111 -2.518 11.127 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.439 -0.426 12.399 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.864 -0.795 8.769 1.00 0.00 N ATOM 1476 CA LYS A 96 -14.417 0.590 8.566 1.00 0.00 C ATOM 1477 C LYS A 96 -14.198 1.208 7.129 1.00 0.00 C ATOM 1478 O LYS A 96 -14.044 2.425 6.985 1.00 0.00 O ATOM 1479 CB LYS A 96 -13.965 1.570 9.702 1.00 0.00 C ATOM 1480 CG LYS A 96 -14.426 1.288 11.149 1.00 0.00 C ATOM 1481 CD LYS A 96 -15.866 1.749 11.455 1.00 0.00 C ATOM 1482 CE LYS A 96 -16.189 1.717 12.959 1.00 0.00 C ATOM 1483 NZ LYS A 96 -17.541 2.236 13.233 1.00 0.00 N ATOM 0 H LYS A 96 -14.575 -1.482 9.020 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.497 0.459 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.875 1.597 9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.309 2.569 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.351 0.218 11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.743 1.784 11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.007 2.762 11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -16.570 1.109 10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.109 0.694 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.454 2.310 13.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.488 2.973 13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.941 2.640 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.150 1.461 13.566 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.164 0.377 6.060 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.595 0.736 4.729 1.00 0.00 C ATOM 1499 C ASN A 97 -12.135 1.315 4.763 1.00 0.00 C ATOM 1500 O ASN A 97 -11.866 2.389 4.220 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.635 1.552 3.901 1.00 0.00 C ATOM 1502 CG ASN A 97 -14.485 1.388 2.379 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -15.039 0.469 1.778 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -13.721 2.246 1.730 1.00 0.00 N ATOM 0 H ASN A 97 -14.534 -0.573 6.093 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.426 -0.192 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.639 1.244 4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.539 2.608 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.587 2.149 0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.265 3.006 2.235 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.205 0.602 5.432 1.00 0.00 N ATOM 1512 CA ILE A 98 -9.804 1.059 5.634 1.00 0.00 C ATOM 1513 C ILE A 98 -8.968 -0.245 5.545 1.00 0.00 C ATOM 1514 O ILE A 98 -8.977 -1.037 6.496 1.00 0.00 O ATOM 1515 CB ILE A 98 -9.534 1.796 7.003 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.477 2.992 7.328 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.062 2.264 7.115 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -10.550 3.375 8.814 1.00 0.00 C ATOM 0 H ILE A 98 -11.399 -0.308 5.850 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.548 1.812 4.888 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.755 1.031 7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.146 3.861 6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.481 2.748 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.912 2.767 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.400 1.400 7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.837 2.954 6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.231 4.217 8.940 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -10.914 2.525 9.391 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.557 3.655 9.167 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.181 -0.431 4.466 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.163 -1.515 4.420 1.00 0.00 C ATOM 1532 C LYS A 99 -5.915 -1.074 5.239 1.00 0.00 C ATOM 1533 O LYS A 99 -5.287 -0.048 4.958 1.00 0.00 O ATOM 1534 CB LYS A 99 -6.815 -1.929 2.970 1.00 0.00 C ATOM 1535 CG LYS A 99 -5.998 -3.245 2.919 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.651 -3.768 1.517 1.00 0.00 C ATOM 1537 CE LYS A 99 -4.637 -2.902 0.743 1.00 0.00 C ATOM 1538 NZ LYS A 99 -4.301 -3.502 -0.560 1.00 0.00 N ATOM 0 H LYS A 99 -8.224 0.143 3.624 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.576 -2.413 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.735 -2.052 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.246 -1.131 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.069 -3.094 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.558 -4.018 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.251 -4.778 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.568 -3.840 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.050 -1.905 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.730 -2.784 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.617 -2.895 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.885 -4.444 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.164 -3.591 -1.134 1.00 0.00 H new ATOM 1552 N SER A 100 -5.614 -1.874 6.271 1.00 0.00 N ATOM 1553 CA SER A 100 -4.618 -1.531 7.317 1.00 0.00 C ATOM 1554 C SER A 100 -3.492 -2.591 7.262 1.00 0.00 C ATOM 1555 O SER A 100 -3.662 -3.722 7.737 1.00 0.00 O ATOM 1556 CB SER A 100 -5.304 -1.472 8.703 1.00 0.00 C ATOM 1557 OG SER A 100 -6.304 -0.458 8.744 1.00 0.00 O ATOM 0 H SER A 100 -6.052 -2.784 6.412 1.00 0.00 H new ATOM 0 HA SER A 100 -4.184 -0.546 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.754 -2.439 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.557 -1.280 9.473 1.00 0.00 H new ATOM 0 HG SER A 100 -6.972 -0.685 9.424 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.357 -2.215 6.645 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.238 -3.155 6.359 1.00 0.00 C ATOM 1565 C VAL A 101 -0.079 -2.790 7.319 1.00 0.00 C ATOM 1566 O VAL A 101 0.615 -1.793 7.104 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.826 -3.130 4.848 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.416 -4.000 4.536 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.971 -3.610 3.930 1.00 0.00 C ATOM 0 H VAL A 101 -2.182 -1.261 6.330 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.542 -4.187 6.537 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.588 -2.085 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.646 -3.937 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.267 -3.639 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.210 -5.037 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.643 -3.577 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.243 -4.632 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.837 -2.960 4.058 1.00 0.00 H new ATOM 1579 N THR A 102 0.139 -3.643 8.332 1.00 0.00 N ATOM 1580 CA THR A 102 1.242 -3.462 9.320 1.00 0.00 C ATOM 1581 C THR A 102 2.479 -4.261 8.807 1.00 0.00 C ATOM 1582 O THR A 102 2.631 -5.448 9.115 1.00 0.00 O ATOM 1583 CB THR A 102 0.769 -3.872 10.750 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.431 -3.194 11.108 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.794 -3.572 11.853 1.00 0.00 C ATOM 0 H THR A 102 -0.431 -4.472 8.498 1.00 0.00 H new ATOM 0 HA THR A 102 1.533 -2.415 9.408 1.00 0.00 H new ATOM 0 HB THR A 102 0.621 -4.950 10.688 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.707 -3.470 12.007 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.393 -3.885 12.817 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.717 -4.116 11.650 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.001 -2.502 11.876 1.00 0.00 H new ATOM 1593 N GLU A 103 3.348 -3.593 8.022 1.00 0.00 N ATOM 1594 CA GLU A 103 4.576 -4.214 7.463 1.00 0.00 C ATOM 1595 C GLU A 103 5.786 -3.798 8.339 1.00 0.00 C ATOM 1596 O GLU A 103 6.128 -2.615 8.441 1.00 0.00 O ATOM 1597 CB GLU A 103 4.769 -3.810 5.978 1.00 0.00 C ATOM 1598 CG GLU A 103 5.899 -4.588 5.263 1.00 0.00 C ATOM 1599 CD GLU A 103 6.058 -4.197 3.793 1.00 0.00 C ATOM 1600 OE1 GLU A 103 5.337 -4.756 2.937 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.905 -3.330 3.485 1.00 0.00 O ATOM 0 H GLU A 103 3.224 -2.616 7.757 1.00 0.00 H new ATOM 0 HA GLU A 103 4.487 -5.300 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.834 -3.972 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.986 -2.743 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.840 -4.411 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.694 -5.657 5.329 1.00 0.00 H new ATOM 1608 N LEU A 104 6.457 -4.807 8.909 1.00 0.00 N ATOM 1609 CA LEU A 104 7.736 -4.629 9.641 1.00 0.00 C ATOM 1610 C LEU A 104 8.905 -4.531 8.617 1.00 0.00 C ATOM 1611 O LEU A 104 9.053 -5.402 7.751 1.00 0.00 O ATOM 1612 CB LEU A 104 7.933 -5.836 10.608 1.00 0.00 C ATOM 1613 CG LEU A 104 8.575 -5.561 11.992 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.719 -6.898 12.746 1.00 0.00 C ATOM 1615 CD2 LEU A 104 9.933 -4.838 11.962 1.00 0.00 C ATOM 0 H LEU A 104 6.135 -5.774 8.880 1.00 0.00 H new ATOM 0 HA LEU A 104 7.719 -3.710 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.957 -6.292 10.777 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.547 -6.577 10.096 1.00 0.00 H new ATOM 0 HG LEU A 104 7.901 -4.871 12.500 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.170 -6.719 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.736 -7.349 12.878 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.354 -7.573 12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.292 -4.696 12.981 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.652 -5.438 11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.818 -3.868 11.479 1.00 0.00 H new ATOM 1627 N ASN A 105 9.721 -3.469 8.723 1.00 0.00 N ATOM 1628 CA ASN A 105 10.916 -3.275 7.851 1.00 0.00 C ATOM 1629 C ASN A 105 12.181 -3.130 8.749 1.00 0.00 C ATOM 1630 O ASN A 105 12.746 -2.037 8.880 1.00 0.00 O ATOM 1631 CB ASN A 105 10.722 -2.079 6.875 1.00 0.00 C ATOM 1632 CG ASN A 105 9.621 -2.244 5.809 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.847 -2.767 4.718 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.413 -1.798 6.111 1.00 0.00 N ATOM 0 H ASN A 105 9.583 -2.722 9.404 1.00 0.00 H new ATOM 0 HA ASN A 105 11.052 -4.149 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.499 -1.189 7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.668 -1.895 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.654 -1.885 5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.241 -1.367 7.019 1.00 0.00 H new ATOM 1641 N GLY A 106 12.618 -4.247 9.370 1.00 0.00 N ATOM 1642 CA GLY A 106 13.794 -4.264 10.274 1.00 0.00 C ATOM 1643 C GLY A 106 13.489 -3.708 11.681 1.00 0.00 C ATOM 1644 O GLY A 106 13.034 -4.441 12.563 1.00 0.00 O ATOM 0 H GLY A 106 12.171 -5.157 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.158 -5.287 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.597 -3.679 9.826 1.00 0.00 H new ATOM 1648 N ASP A 107 13.724 -2.399 11.846 1.00 0.00 N ATOM 1649 CA ASP A 107 13.202 -1.607 13.001 1.00 0.00 C ATOM 1650 C ASP A 107 11.894 -0.818 12.667 1.00 0.00 C ATOM 1651 O ASP A 107 11.044 -0.688 13.551 1.00 0.00 O ATOM 1652 CB ASP A 107 14.288 -0.633 13.537 1.00 0.00 C ATOM 1653 CG ASP A 107 15.517 -1.298 14.175 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.467 -1.639 15.378 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.536 -1.482 13.474 1.00 0.00 O ATOM 0 H ASP A 107 14.279 -1.847 11.192 1.00 0.00 H new ATOM 0 HA ASP A 107 12.947 -2.332 13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.624 -0.003 12.714 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.829 0.025 14.275 1.00 0.00 H new ATOM 1660 N ILE A 108 11.733 -0.267 11.441 1.00 0.00 N ATOM 1661 CA ILE A 108 10.647 0.689 11.096 1.00 0.00 C ATOM 1662 C ILE A 108 9.359 -0.116 10.739 1.00 0.00 C ATOM 1663 O ILE A 108 9.235 -0.644 9.632 1.00 0.00 O ATOM 1664 CB ILE A 108 11.093 1.695 9.967 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.368 2.548 10.276 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.954 2.688 9.623 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.720 1.872 9.995 1.00 0.00 C ATOM 0 H ILE A 108 12.354 -0.472 10.658 1.00 0.00 H new ATOM 0 HA ILE A 108 10.421 1.318 11.957 1.00 0.00 H new ATOM 0 HB ILE A 108 11.337 1.035 9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.316 3.467 9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.341 2.837 11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.289 3.370 8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.083 2.135 9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.688 3.259 10.513 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.529 2.558 10.247 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.808 0.969 10.600 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.783 1.609 8.939 1.00 0.00 H new ATOM 1679 N ILE A 109 8.390 -0.140 11.672 1.00 0.00 N ATOM 1680 CA ILE A 109 7.039 -0.715 11.434 1.00 0.00 C ATOM 1681 C ILE A 109 6.124 0.392 10.825 1.00 0.00 C ATOM 1682 O ILE A 109 5.949 1.467 11.410 1.00 0.00 O ATOM 1683 CB ILE A 109 6.494 -1.402 12.735 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.404 -2.461 12.415 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.019 -0.426 13.842 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.040 -3.344 13.615 1.00 0.00 C ATOM 0 H ILE A 109 8.514 0.236 12.612 1.00 0.00 H new ATOM 0 HA ILE A 109 7.070 -1.521 10.701 1.00 0.00 H new ATOM 0 HB ILE A 109 7.362 -1.908 13.157 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.507 -1.953 12.062 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.752 -3.095 11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.661 -0.995 14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.851 0.208 14.149 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.211 0.196 13.456 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.273 -4.061 13.320 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.926 -3.880 13.954 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.661 -2.720 14.424 1.00 0.00 H new ATOM 1698 N THR A 110 5.574 0.116 9.636 1.00 0.00 N ATOM 1699 CA THR A 110 4.810 1.114 8.845 1.00 0.00 C ATOM 1700 C THR A 110 3.362 0.569 8.715 1.00 0.00 C ATOM 1701 O THR A 110 3.124 -0.362 7.938 1.00 0.00 O ATOM 1702 CB THR A 110 5.521 1.350 7.477 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.884 1.718 7.677 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.883 2.467 6.637 1.00 0.00 C ATOM 0 H THR A 110 5.640 -0.798 9.189 1.00 0.00 H new ATOM 0 HA THR A 110 4.768 2.092 9.325 1.00 0.00 H new ATOM 0 HB THR A 110 5.425 0.404 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.315 1.860 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.429 2.575 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.844 2.214 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.922 3.406 7.190 1.00 0.00 H new ATOM 1712 N ASN A 111 2.402 1.157 9.466 1.00 0.00 N ATOM 1713 CA ASN A 111 0.965 0.792 9.342 1.00 0.00 C ATOM 1714 C ASN A 111 0.292 1.817 8.393 1.00 0.00 C ATOM 1715 O ASN A 111 -0.034 2.944 8.782 1.00 0.00 O ATOM 1716 CB ASN A 111 0.314 0.609 10.742 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.209 0.355 10.816 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.924 1.031 11.555 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.741 -0.612 10.082 1.00 0.00 N ATOM 0 H ASN A 111 2.591 1.881 10.160 1.00 0.00 H new ATOM 0 HA ASN A 111 0.825 -0.186 8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.814 -0.225 11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.531 1.502 11.328 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.743 -0.796 10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.148 -1.172 9.469 1.00 0.00 H new ATOM 1726 N THR A 112 0.114 1.374 7.136 1.00 0.00 N ATOM 1727 CA THR A 112 -0.414 2.207 6.030 1.00 0.00 C ATOM 1728 C THR A 112 -1.952 1.985 5.978 1.00 0.00 C ATOM 1729 O THR A 112 -2.434 0.940 5.527 1.00 0.00 O ATOM 1730 CB THR A 112 0.322 1.828 4.710 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.734 1.937 4.869 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.058 2.730 3.527 1.00 0.00 C ATOM 0 H THR A 112 0.333 0.419 6.852 1.00 0.00 H new ATOM 0 HA THR A 112 -0.234 3.271 6.181 1.00 0.00 H new ATOM 0 HB THR A 112 0.016 0.804 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.177 1.693 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.488 2.414 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.129 2.654 3.341 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.197 3.764 3.761 1.00 0.00 H new ATOM 1740 N MET A 113 -2.692 2.986 6.478 1.00 0.00 N ATOM 1741 CA MET A 113 -4.157 2.893 6.698 1.00 0.00 C ATOM 1742 C MET A 113 -4.847 3.809 5.658 1.00 0.00 C ATOM 1743 O MET A 113 -4.948 5.025 5.846 1.00 0.00 O ATOM 1744 CB MET A 113 -4.498 3.308 8.153 1.00 0.00 C ATOM 1745 CG MET A 113 -3.961 2.383 9.259 1.00 0.00 C ATOM 1746 SD MET A 113 -4.459 2.987 10.888 1.00 0.00 S ATOM 1747 CE MET A 113 -6.150 2.372 11.013 1.00 0.00 C ATOM 0 H MET A 113 -2.297 3.888 6.744 1.00 0.00 H new ATOM 0 HA MET A 113 -4.513 1.871 6.567 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.109 4.312 8.325 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.582 3.366 8.249 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.337 1.371 9.109 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.874 2.330 9.201 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.803 3.172 11.361 1.00 0.00 H new ATOM 0 HE2 MET A 113 -6.486 2.029 10.034 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.184 1.543 11.720 1.00 0.00 H new ATOM 1757 N THR A 114 -5.303 3.205 4.547 1.00 0.00 N ATOM 1758 CA THR A 114 -5.877 3.954 3.399 1.00 0.00 C ATOM 1759 C THR A 114 -7.424 3.854 3.484 1.00 0.00 C ATOM 1760 O THR A 114 -8.011 2.799 3.223 1.00 0.00 O ATOM 1761 CB THR A 114 -5.294 3.409 2.065 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.873 3.528 2.066 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.810 4.131 0.805 1.00 0.00 C ATOM 0 H THR A 114 -5.288 2.194 4.413 1.00 0.00 H new ATOM 0 HA THR A 114 -5.607 5.009 3.434 1.00 0.00 H new ATOM 0 HB THR A 114 -5.624 2.371 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.515 3.181 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.353 3.689 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.893 4.028 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.549 5.188 0.858 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.058 4.993 3.801 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.540 5.155 3.768 1.00 0.00 C ATOM 1773 C LEU A 115 -10.103 5.160 2.311 1.00 0.00 C ATOM 1774 O LEU A 115 -10.931 4.308 1.972 1.00 0.00 O ATOM 1775 CB LEU A 115 -9.895 6.416 4.616 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.384 6.847 4.738 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.294 5.776 5.371 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.485 8.161 5.539 1.00 0.00 C ATOM 0 H LEU A 115 -7.565 5.838 4.090 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.037 4.295 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.516 6.252 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.341 7.258 4.201 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.745 6.991 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.316 6.151 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.269 4.872 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.941 5.547 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.531 8.458 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.071 8.012 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.925 8.943 5.027 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.629 6.095 1.473 1.00 0.00 N ATOM 1791 CA GLY A 116 -9.936 6.126 0.030 1.00 0.00 C ATOM 1792 C GLY A 116 -8.827 6.919 -0.678 1.00 0.00 C ATOM 1793 O GLY A 116 -7.871 6.330 -1.191 1.00 0.00 O ATOM 0 H GLY A 116 -9.020 6.855 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.993 5.113 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.906 6.592 -0.143 1.00 0.00 H new ATOM 1797 N ASP A 117 -8.945 8.259 -0.645 1.00 0.00 N ATOM 1798 CA ASP A 117 -7.832 9.180 -1.011 1.00 0.00 C ATOM 1799 C ASP A 117 -6.761 9.383 0.117 1.00 0.00 C ATOM 1800 O ASP A 117 -5.581 9.541 -0.211 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.468 10.521 -1.475 1.00 0.00 C ATOM 1802 CG ASP A 117 -7.500 11.500 -2.156 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -7.255 11.361 -3.375 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -6.980 12.411 -1.472 1.00 0.00 O ATOM 0 H ASP A 117 -9.802 8.739 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.258 8.727 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.282 10.299 -2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.910 11.014 -0.609 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.153 9.415 1.410 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.261 9.809 2.539 1.00 0.00 C ATOM 1811 C ILE A 118 -5.456 8.551 2.990 1.00 0.00 C ATOM 1812 O ILE A 118 -6.042 7.534 3.376 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.102 10.450 3.704 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -7.873 11.741 3.278 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.228 10.771 4.947 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.058 12.118 4.182 1.00 0.00 C ATOM 0 H ILE A 118 -8.097 9.169 1.707 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.550 10.573 2.225 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.838 9.688 3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.171 12.575 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.240 11.608 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.851 11.212 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.776 9.852 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.443 11.474 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.528 13.026 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.786 11.307 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.701 12.289 5.198 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.117 8.672 2.968 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.192 7.577 3.375 1.00 0.00 C ATOM 1830 C VAL A 119 -2.572 8.008 4.739 1.00 0.00 C ATOM 1831 O VAL A 119 -1.635 8.815 4.777 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.126 7.277 2.261 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.172 6.126 2.654 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.733 6.923 0.880 1.00 0.00 C ATOM 0 H VAL A 119 -3.639 9.523 2.671 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.718 6.630 3.499 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.581 8.217 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.454 5.958 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.639 6.391 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.749 5.216 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.930 6.730 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.356 6.034 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.340 7.756 0.525 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.083 7.433 5.846 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.502 7.615 7.203 1.00 0.00 C ATOM 1846 C PHE A 120 -1.348 6.596 7.417 1.00 0.00 C ATOM 1847 O PHE A 120 -1.579 5.445 7.795 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.637 7.546 8.262 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.229 7.556 9.752 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.525 8.637 10.293 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.554 6.475 10.582 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.155 8.642 11.632 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.176 6.477 11.922 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.484 7.565 12.448 1.00 0.00 C ATOM 0 H PHE A 120 -3.906 6.831 5.831 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.049 8.600 7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.307 8.389 8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.213 6.639 8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.267 9.476 9.664 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.101 5.635 10.180 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.612 9.482 12.039 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.419 5.635 12.553 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.203 7.572 13.491 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.108 7.057 7.174 1.00 0.00 N ATOM 1865 CA LYS A 121 1.102 6.201 7.224 1.00 0.00 C ATOM 1866 C LYS A 121 1.899 6.567 8.502 1.00 0.00 C ATOM 1867 O LYS A 121 2.574 7.601 8.557 1.00 0.00 O ATOM 1868 CB LYS A 121 1.889 6.402 5.902 1.00 0.00 C ATOM 1869 CG LYS A 121 3.058 5.415 5.705 1.00 0.00 C ATOM 1870 CD LYS A 121 3.823 5.570 4.375 1.00 0.00 C ATOM 1871 CE LYS A 121 3.036 5.103 3.134 1.00 0.00 C ATOM 1872 NZ LYS A 121 3.831 5.246 1.903 1.00 0.00 N ATOM 0 H LYS A 121 0.089 8.030 6.938 1.00 0.00 H new ATOM 0 HA LYS A 121 0.870 5.138 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.200 6.303 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.279 7.419 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.761 5.539 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.670 4.398 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.095 6.617 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.753 5.004 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.743 4.061 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.118 5.684 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.271 4.923 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.090 6.245 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.695 4.672 1.979 1.00 0.00 H new ATOM 1886 N ARG A 122 1.803 5.699 9.527 1.00 0.00 N ATOM 1887 CA ARG A 122 2.501 5.901 10.822 1.00 0.00 C ATOM 1888 C ARG A 122 3.850 5.130 10.813 1.00 0.00 C ATOM 1889 O ARG A 122 3.895 3.898 10.868 1.00 0.00 O ATOM 1890 CB ARG A 122 1.623 5.563 12.053 1.00 0.00 C ATOM 1891 CG ARG A 122 0.727 4.303 12.045 1.00 0.00 C ATOM 1892 CD ARG A 122 0.197 3.878 13.433 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.533 4.961 14.152 1.00 0.00 N ATOM 1894 CZ ARG A 122 -0.086 5.599 15.253 1.00 0.00 C ATOM 1895 NH1 ARG A 122 1.015 5.264 15.917 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -0.789 6.619 15.710 1.00 0.00 N ATOM 0 H ARG A 122 1.247 4.845 9.488 1.00 0.00 H new ATOM 0 HA ARG A 122 2.712 6.965 10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.289 5.481 12.912 1.00 0.00 H new ATOM 0 HB3 ARG A 122 0.974 6.420 12.233 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -0.123 4.482 11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.292 3.475 11.618 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.467 3.022 13.312 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.035 3.547 14.047 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.441 5.241 13.782 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.582 4.478 15.600 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.293 5.793 16.744 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.644 6.904 15.232 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.477 7.122 16.541 1.00 0.00 H new ATOM 1910 N ILE A 123 4.940 5.909 10.737 1.00 0.00 N ATOM 1911 CA ILE A 123 6.327 5.401 10.547 1.00 0.00 C ATOM 1912 C ILE A 123 6.946 5.329 11.976 1.00 0.00 C ATOM 1913 O ILE A 123 7.156 6.366 12.608 1.00 0.00 O ATOM 1914 CB ILE A 123 7.072 6.363 9.547 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.447 6.353 8.113 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.593 6.092 9.441 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.768 7.574 7.238 1.00 0.00 C ATOM 0 H ILE A 123 4.893 6.926 10.806 1.00 0.00 H new ATOM 0 HA ILE A 123 6.394 4.410 10.099 1.00 0.00 H new ATOM 0 HB ILE A 123 6.935 7.352 9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.788 5.457 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.364 6.272 8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.039 6.792 8.735 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.055 6.221 10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.758 5.072 9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.285 7.463 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.400 8.477 7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.847 7.649 7.100 1.00 0.00 H new ATOM 1929 N SER A 124 7.194 4.105 12.477 1.00 0.00 N ATOM 1930 CA SER A 124 7.496 3.860 13.913 1.00 0.00 C ATOM 1931 C SER A 124 8.783 3.001 14.053 1.00 0.00 C ATOM 1932 O SER A 124 8.745 1.777 13.912 1.00 0.00 O ATOM 1933 CB SER A 124 6.261 3.190 14.572 1.00 0.00 C ATOM 1934 OG SER A 124 5.219 4.128 14.791 1.00 0.00 O ATOM 0 H SER A 124 7.193 3.258 11.908 1.00 0.00 H new ATOM 0 HA SER A 124 7.691 4.800 14.429 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.899 2.384 13.934 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.552 2.739 15.521 1.00 0.00 H new ATOM 0 HG SER A 124 4.454 3.677 15.205 1.00 0.00 H new ATOM 1940 N LYS A 125 9.926 3.645 14.360 1.00 0.00 N ATOM 1941 CA LYS A 125 11.230 2.946 14.546 1.00 0.00 C ATOM 1942 C LYS A 125 11.355 2.343 15.976 1.00 0.00 C ATOM 1943 O LYS A 125 11.026 3.000 16.967 1.00 0.00 O ATOM 1944 CB LYS A 125 12.375 3.941 14.215 1.00 0.00 C ATOM 1945 CG LYS A 125 13.773 3.291 14.105 1.00 0.00 C ATOM 1946 CD LYS A 125 14.878 4.276 13.673 1.00 0.00 C ATOM 1947 CE LYS A 125 16.291 3.664 13.601 1.00 0.00 C ATOM 1948 NZ LYS A 125 16.455 2.699 12.497 1.00 0.00 N ATOM 0 H LYS A 125 9.981 4.656 14.487 1.00 0.00 H new ATOM 0 HA LYS A 125 11.297 2.098 13.864 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.145 4.441 13.274 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.405 4.711 14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.040 2.858 15.069 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.728 2.471 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.622 4.682 12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.894 5.113 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 125 17.021 4.465 13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.512 3.166 14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.425 2.325 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.781 1.916 12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.274 3.175 11.590 1.00 0.00 H new ATOM 1962 N ARG A 126 11.874 1.100 16.063 1.00 0.00 N ATOM 1963 CA ARG A 126 12.045 0.369 17.347 1.00 0.00 C ATOM 1964 C ARG A 126 13.228 0.961 18.168 1.00 0.00 C ATOM 1965 O ARG A 126 14.396 0.790 17.804 1.00 0.00 O ATOM 1966 CB ARG A 126 12.229 -1.149 17.063 1.00 0.00 C ATOM 1967 CG ARG A 126 11.833 -2.073 18.241 1.00 0.00 C ATOM 1968 CD ARG A 126 12.316 -3.535 18.136 1.00 0.00 C ATOM 1969 NE ARG A 126 11.822 -4.249 16.930 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.021 -5.558 16.683 1.00 0.00 C ATOM 1971 NH1 ARG A 126 12.605 -6.396 17.539 1.00 0.00 N ATOM 1972 NH2 ARG A 126 11.616 -6.040 15.524 1.00 0.00 N ATOM 0 H ARG A 126 12.187 0.571 15.249 1.00 0.00 H new ATOM 0 HA ARG A 126 11.149 0.491 17.956 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.634 -1.418 16.190 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.272 -1.334 16.807 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.227 -1.645 19.163 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.747 -2.074 18.329 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.406 -3.547 18.132 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.994 -4.078 19.025 1.00 0.00 H new ATOM 0 HE ARG A 126 11.296 -3.711 16.242 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.932 -6.056 18.443 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.725 -7.378 17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.167 -5.426 14.845 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.752 -7.027 15.307 1.00 0.00 H new ATOM 1986 N ILE A 127 12.891 1.701 19.243 1.00 0.00 N ATOM 1987 CA ILE A 127 13.878 2.470 20.044 1.00 0.00 C ATOM 1988 C ILE A 127 13.489 2.108 21.486 1.00 0.00 C ATOM 1989 O ILE A 127 14.321 1.667 22.278 1.00 0.00 O ATOM 1990 CB ILE A 127 13.842 4.014 19.748 1.00 0.00 C ATOM 1991 CG1 ILE A 127 14.164 4.372 18.260 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.805 4.803 20.678 1.00 0.00 C ATOM 1993 CD1 ILE A 127 13.779 5.791 17.811 1.00 0.00 C ATOM 0 H ILE A 127 11.933 1.786 19.583 1.00 0.00 H new ATOM 0 HA ILE A 127 14.913 2.218 19.812 1.00 0.00 H new ATOM 0 HB ILE A 127 12.813 4.312 19.948 1.00 0.00 H new ATOM 0 HG12 ILE A 127 15.234 4.238 18.098 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.652 3.657 17.616 1.00 0.00 H new ATOM 0 HG21 ILE A 127 14.750 5.866 20.441 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.516 4.647 21.717 1.00 0.00 H new ATOM 0 HG23 ILE A 127 15.825 4.450 20.529 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.048 5.927 16.764 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.705 5.932 17.931 1.00 0.00 H new ATOM 0 HD13 ILE A 127 14.311 6.522 18.420 1.00 0.00 H new