USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1003 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 Single : A 6 SER OG : rot -28:sc= 0.0269 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.7!) USER MOD Single : A 12 GLN : amide:sc= -0.865 K(o=-0.87,f=-5.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -100:sc= 0.0905 USER MOD Single : A 45 GLN : amide:sc= -1.22 K(o=-1.2,f=-8.9!) USER MOD Single : A 46 ASN : amide:sc= -0.0519 X(o=-0.052,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -4.69! K(o=-4.7!,f=-3.5) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0173 (180deg=-0.61) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.44) USER MOD Single : A 63 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.2) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00913 USER MOD Single : A 71 CYS SG : rot 150:sc= -2.86! USER MOD Single : A 75 THR OG1 : rot -75:sc= 0.301 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 165:sc= 0.706 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 91 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.8!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.426 K(o=-0.43,f=-3.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0444 USER MOD Single : A 104 THR OG1 : rot 88:sc= 0.047 USER MOD Single : A 107 ASN : amide:sc=-0.00946 X(o=-0.0095,f=-0.11) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 113 ASN : amide:sc= -0.371 K(o=-0.37,f=-3!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -13.486 -7.593 -6.132 1.00 0.00 N ATOM 68 CA SER A 6 -12.986 -6.320 -5.644 1.00 0.00 C ATOM 69 C SER A 6 -13.544 -6.040 -4.247 1.00 0.00 C ATOM 70 O SER A 6 -14.510 -6.672 -3.822 1.00 0.00 O ATOM 71 CB SER A 6 -13.351 -5.181 -6.599 1.00 0.00 C ATOM 72 OG SER A 6 -14.760 -5.030 -6.736 1.00 0.00 O ATOM 0 HA SER A 6 -11.899 -6.378 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.921 -4.249 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.910 -5.373 -7.577 1.00 0.00 H new ATOM 0 HG SER A 6 -15.198 -5.893 -6.584 1.00 0.00 H new ATOM 78 N GLY A 7 -12.912 -5.091 -3.571 1.00 0.00 N ATOM 79 CA GLY A 7 -13.334 -4.719 -2.231 1.00 0.00 C ATOM 80 C GLY A 7 -12.941 -3.275 -1.913 1.00 0.00 C ATOM 81 O GLY A 7 -12.124 -2.682 -2.616 1.00 0.00 O ATOM 0 H GLY A 7 -12.111 -4.569 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.414 -4.834 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.880 -5.392 -1.503 1.00 0.00 H new ATOM 85 N LYS A 8 -13.542 -2.751 -0.856 1.00 0.00 N ATOM 86 CA LYS A 8 -13.265 -1.387 -0.436 1.00 0.00 C ATOM 87 C LYS A 8 -12.847 -1.385 1.035 1.00 0.00 C ATOM 88 O LYS A 8 -13.508 -1.999 1.872 1.00 0.00 O ATOM 89 CB LYS A 8 -14.460 -0.482 -0.738 1.00 0.00 C ATOM 90 CG LYS A 8 -14.548 -0.169 -2.233 1.00 0.00 C ATOM 91 CD LYS A 8 -15.594 0.914 -2.506 1.00 0.00 C ATOM 92 CE LYS A 8 -14.928 2.275 -2.725 1.00 0.00 C ATOM 93 NZ LYS A 8 -15.180 3.167 -1.571 1.00 0.00 N ATOM 0 H LYS A 8 -14.220 -3.246 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.431 -0.975 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.380 -0.967 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.370 0.446 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.575 0.160 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.805 -1.074 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.180 0.646 -3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.288 0.975 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.855 2.143 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.313 2.732 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.721 4.086 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.204 3.307 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.792 2.736 -0.708 1.00 0.00 H new ATOM 106 N TYR A 9 -11.754 -0.689 1.306 1.00 0.00 N ATOM 107 CA TYR A 9 -11.241 -0.598 2.662 1.00 0.00 C ATOM 108 C TYR A 9 -10.872 0.845 3.014 1.00 0.00 C ATOM 109 O TYR A 9 -10.386 1.590 2.166 1.00 0.00 O ATOM 110 CB TYR A 9 -9.974 -1.456 2.691 1.00 0.00 C ATOM 111 CG TYR A 9 -10.234 -2.955 2.525 1.00 0.00 C ATOM 112 CD1 TYR A 9 -10.587 -3.460 1.290 1.00 0.00 C ATOM 113 CD2 TYR A 9 -10.116 -3.801 3.608 1.00 0.00 C ATOM 114 CE1 TYR A 9 -10.831 -4.871 1.132 1.00 0.00 C ATOM 115 CE2 TYR A 9 -10.361 -5.212 3.451 1.00 0.00 C ATOM 116 CZ TYR A 9 -10.707 -5.677 2.220 1.00 0.00 C ATOM 117 OH TYR A 9 -10.937 -7.009 2.071 1.00 0.00 O ATOM 0 H TYR A 9 -11.209 -0.182 0.609 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.991 -0.933 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.304 -1.124 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.456 -1.290 3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.680 -2.797 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.840 -3.405 4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.106 -5.279 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.272 -5.885 4.291 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.810 -7.461 2.931 1.00 0.00 H new ATOM 127 N GLN A 10 -11.118 1.195 4.269 1.00 0.00 N ATOM 128 CA GLN A 10 -10.819 2.535 4.744 1.00 0.00 C ATOM 129 C GLN A 10 -9.854 2.474 5.930 1.00 0.00 C ATOM 130 O GLN A 10 -10.020 1.651 6.828 1.00 0.00 O ATOM 131 CB GLN A 10 -12.100 3.283 5.117 1.00 0.00 C ATOM 132 CG GLN A 10 -12.066 4.721 4.597 1.00 0.00 C ATOM 133 CD GLN A 10 -12.784 5.670 5.560 1.00 0.00 C ATOM 134 OE1 GLN A 10 -12.836 5.455 6.760 1.00 0.00 O ATOM 135 NE2 GLN A 10 -13.332 6.727 4.969 1.00 0.00 N ATOM 0 H GLN A 10 -11.521 0.574 4.970 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.338 3.087 3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.963 2.763 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.221 3.287 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.032 5.041 4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.538 4.768 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.251 6.846 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.834 7.419 5.525 1.00 0.00 H new ATOM 144 N LEU A 11 -8.867 3.357 5.894 1.00 0.00 N ATOM 145 CA LEU A 11 -7.875 3.415 6.954 1.00 0.00 C ATOM 146 C LEU A 11 -8.569 3.244 8.306 1.00 0.00 C ATOM 147 O LEU A 11 -9.600 3.866 8.561 1.00 0.00 O ATOM 148 CB LEU A 11 -7.048 4.696 6.845 1.00 0.00 C ATOM 149 CG LEU A 11 -7.469 5.847 7.762 1.00 0.00 C ATOM 150 CD1 LEU A 11 -8.937 6.216 7.538 1.00 0.00 C ATOM 151 CD2 LEU A 11 -7.180 5.515 9.227 1.00 0.00 C ATOM 0 H LEU A 11 -8.733 4.038 5.147 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.164 2.595 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.007 4.452 7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.090 5.046 5.813 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.873 6.723 7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.211 7.036 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.081 6.523 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.566 5.352 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.489 6.349 9.857 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.733 4.620 9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.112 5.338 9.356 1.00 0.00 H new ATOM 163 N GLN A 12 -7.979 2.398 9.137 1.00 0.00 N ATOM 164 CA GLN A 12 -8.528 2.138 10.457 1.00 0.00 C ATOM 165 C GLN A 12 -7.550 2.598 11.539 1.00 0.00 C ATOM 166 O GLN A 12 -7.656 3.716 12.042 1.00 0.00 O ATOM 167 CB GLN A 12 -8.874 0.657 10.624 1.00 0.00 C ATOM 168 CG GLN A 12 -9.370 0.367 12.042 1.00 0.00 C ATOM 169 CD GLN A 12 -10.794 0.891 12.243 1.00 0.00 C ATOM 170 OE1 GLN A 12 -11.251 1.796 11.565 1.00 0.00 O ATOM 171 NE2 GLN A 12 -11.467 0.271 13.208 1.00 0.00 N ATOM 0 H GLN A 12 -7.125 1.883 8.922 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.451 2.708 10.564 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.640 0.375 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.995 0.048 10.410 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.344 -0.707 12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.702 0.832 12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.024 -0.480 13.738 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.426 0.546 13.418 1.00 0.00 H new ATOM 180 N SER A 13 -6.619 1.713 11.866 1.00 0.00 N ATOM 181 CA SER A 13 -5.623 2.015 12.879 1.00 0.00 C ATOM 182 C SER A 13 -4.287 2.351 12.216 1.00 0.00 C ATOM 183 O SER A 13 -4.021 1.923 11.093 1.00 0.00 O ATOM 184 CB SER A 13 -5.454 0.846 13.851 1.00 0.00 C ATOM 185 OG SER A 13 -6.324 0.955 14.975 1.00 0.00 O ATOM 0 H SER A 13 -6.534 0.787 11.447 1.00 0.00 H new ATOM 0 HA SER A 13 -5.966 2.879 13.448 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.652 -0.090 13.329 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.420 0.807 14.195 1.00 0.00 H new ATOM 0 HG SER A 13 -6.187 0.189 15.571 1.00 0.00 H new ATOM 191 N GLN A 14 -3.479 3.115 12.937 1.00 0.00 N ATOM 192 CA GLN A 14 -2.176 3.514 12.432 1.00 0.00 C ATOM 193 C GLN A 14 -1.163 3.584 13.576 1.00 0.00 C ATOM 194 O GLN A 14 -1.529 3.857 14.718 1.00 0.00 O ATOM 195 CB GLN A 14 -2.261 4.849 11.690 1.00 0.00 C ATOM 196 CG GLN A 14 -2.360 4.632 10.179 1.00 0.00 C ATOM 197 CD GLN A 14 -2.628 5.951 9.451 1.00 0.00 C ATOM 198 OE1 GLN A 14 -2.558 7.027 10.020 1.00 0.00 O ATOM 199 NE2 GLN A 14 -2.938 5.806 8.166 1.00 0.00 N ATOM 0 H GLN A 14 -3.702 3.468 13.868 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.837 2.762 11.719 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.130 5.408 12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.382 5.452 11.917 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.434 4.191 9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.159 3.924 9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.979 4.874 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.135 6.627 7.593 1.00 0.00 H new ATOM 208 N GLU A 15 0.092 3.335 13.229 1.00 0.00 N ATOM 209 CA GLU A 15 1.160 3.367 14.213 1.00 0.00 C ATOM 210 C GLU A 15 2.340 4.188 13.688 1.00 0.00 C ATOM 211 O GLU A 15 2.938 3.841 12.669 1.00 0.00 O ATOM 212 CB GLU A 15 1.602 1.952 14.590 1.00 0.00 C ATOM 213 CG GLU A 15 1.870 1.843 16.093 1.00 0.00 C ATOM 214 CD GLU A 15 0.940 0.816 16.743 1.00 0.00 C ATOM 215 OE1 GLU A 15 0.080 1.185 17.557 1.00 0.00 O ATOM 216 OE2 GLU A 15 1.135 -0.405 16.375 1.00 0.00 O ATOM 0 H GLU A 15 0.392 3.110 12.280 1.00 0.00 H new ATOM 0 HA GLU A 15 0.781 3.846 15.116 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.831 1.237 14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.503 1.689 14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.908 1.556 16.261 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.728 2.816 16.563 1.00 0.00 H new ATOM 224 N ASN A 16 2.641 5.260 14.406 1.00 0.00 N ATOM 225 CA ASN A 16 3.739 6.132 14.024 1.00 0.00 C ATOM 226 C ASN A 16 3.695 6.369 12.514 1.00 0.00 C ATOM 227 O ASN A 16 4.687 6.152 11.819 1.00 0.00 O ATOM 228 CB ASN A 16 5.090 5.499 14.364 1.00 0.00 C ATOM 229 CG ASN A 16 5.513 5.846 15.794 1.00 0.00 C ATOM 230 OD1 ASN A 16 6.097 6.882 16.060 1.00 0.00 O ATOM 231 ND2 ASN A 16 5.186 4.923 16.694 1.00 0.00 N ATOM 0 H ASN A 16 2.144 5.545 15.250 1.00 0.00 H new ATOM 0 HA ASN A 16 3.632 7.068 14.572 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.027 4.417 14.252 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.847 5.849 13.662 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.425 5.061 17.676 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.696 4.077 16.402 1.00 0.00 H new ATOM 238 N PHE A 17 2.536 6.811 12.049 1.00 0.00 N ATOM 239 CA PHE A 17 2.351 7.079 10.633 1.00 0.00 C ATOM 240 C PHE A 17 3.062 8.370 10.222 1.00 0.00 C ATOM 241 O PHE A 17 3.665 8.436 9.152 1.00 0.00 O ATOM 242 CB PHE A 17 0.847 7.245 10.402 1.00 0.00 C ATOM 243 CG PHE A 17 0.484 7.758 9.008 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.574 6.929 7.934 1.00 0.00 C ATOM 245 CD2 PHE A 17 0.071 9.043 8.841 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.237 7.405 6.639 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.266 9.519 7.547 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.176 8.690 6.473 1.00 0.00 C ATOM 0 H PHE A 17 1.715 6.990 12.628 1.00 0.00 H new ATOM 0 HA PHE A 17 2.766 6.262 10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.357 6.285 10.563 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.450 7.935 11.147 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.902 5.908 8.066 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.001 9.702 9.694 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.309 6.746 5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.594 10.540 7.415 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.432 9.052 5.488 1.00 0.00 H new ATOM 258 N GLU A 18 2.969 9.364 11.094 1.00 0.00 N ATOM 259 CA GLU A 18 3.596 10.648 10.835 1.00 0.00 C ATOM 260 C GLU A 18 5.118 10.527 10.943 1.00 0.00 C ATOM 261 O GLU A 18 5.851 11.302 10.332 1.00 0.00 O ATOM 262 CB GLU A 18 3.062 11.721 11.786 1.00 0.00 C ATOM 263 CG GLU A 18 3.819 11.699 13.117 1.00 0.00 C ATOM 264 CD GLU A 18 3.100 12.545 14.169 1.00 0.00 C ATOM 265 OE1 GLU A 18 2.384 11.998 15.021 1.00 0.00 O ATOM 266 OE2 GLU A 18 3.307 13.815 14.082 1.00 0.00 O ATOM 0 H GLU A 18 2.468 9.305 11.981 1.00 0.00 H new ATOM 0 HA GLU A 18 3.347 10.954 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.160 12.703 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.999 11.557 11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.910 10.672 13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.831 12.077 12.971 1.00 0.00 H new ATOM 274 N ALA A 19 5.547 9.547 11.725 1.00 0.00 N ATOM 275 CA ALA A 19 6.967 9.314 11.920 1.00 0.00 C ATOM 276 C ALA A 19 7.596 8.873 10.596 1.00 0.00 C ATOM 277 O ALA A 19 8.746 9.202 10.311 1.00 0.00 O ATOM 278 CB ALA A 19 7.168 8.282 13.032 1.00 0.00 C ATOM 0 H ALA A 19 4.936 8.906 12.231 1.00 0.00 H new ATOM 0 HA ALA A 19 7.465 10.232 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.234 8.107 13.178 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.731 8.655 13.958 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.682 7.347 12.753 1.00 0.00 H new ATOM 284 N PHE A 20 6.812 8.136 9.822 1.00 0.00 N ATOM 285 CA PHE A 20 7.276 7.647 8.536 1.00 0.00 C ATOM 286 C PHE A 20 7.539 8.806 7.571 1.00 0.00 C ATOM 287 O PHE A 20 8.350 8.684 6.654 1.00 0.00 O ATOM 288 CB PHE A 20 6.165 6.765 7.965 1.00 0.00 C ATOM 289 CG PHE A 20 6.664 5.659 7.035 1.00 0.00 C ATOM 290 CD1 PHE A 20 7.406 4.633 7.534 1.00 0.00 C ATOM 291 CD2 PHE A 20 6.369 5.700 5.707 1.00 0.00 C ATOM 292 CE1 PHE A 20 7.870 3.606 6.671 1.00 0.00 C ATOM 293 CE2 PHE A 20 6.833 4.672 4.844 1.00 0.00 C ATOM 294 CZ PHE A 20 7.574 3.647 5.343 1.00 0.00 C ATOM 0 H PHE A 20 5.858 7.866 10.062 1.00 0.00 H new ATOM 0 HA PHE A 20 8.208 7.096 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.615 6.311 8.790 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.461 7.393 7.420 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.642 4.600 8.587 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.782 6.515 5.309 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.458 2.792 7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.597 4.704 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.927 2.866 4.686 1.00 0.00 H new ATOM 304 N MET A 21 6.836 9.904 7.811 1.00 0.00 N ATOM 305 CA MET A 21 6.981 11.083 6.975 1.00 0.00 C ATOM 306 C MET A 21 8.194 11.911 7.402 1.00 0.00 C ATOM 307 O MET A 21 8.839 12.550 6.571 1.00 0.00 O ATOM 308 CB MET A 21 5.717 11.939 7.075 1.00 0.00 C ATOM 309 CG MET A 21 4.883 11.837 5.796 1.00 0.00 C ATOM 310 SD MET A 21 3.257 11.210 6.176 1.00 0.00 S ATOM 311 CE MET A 21 2.393 11.657 4.680 1.00 0.00 C ATOM 0 H MET A 21 6.165 10.001 8.573 1.00 0.00 H new ATOM 0 HA MET A 21 7.130 10.759 5.945 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.121 11.616 7.929 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.991 12.979 7.253 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.803 12.817 5.325 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.377 11.179 5.081 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.354 11.336 4.750 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.430 12.738 4.548 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.866 11.170 3.827 1.00 0.00 H new ATOM 321 N LYS A 22 8.471 11.874 8.698 1.00 0.00 N ATOM 322 CA LYS A 22 9.595 12.613 9.245 1.00 0.00 C ATOM 323 C LYS A 22 10.900 11.965 8.781 1.00 0.00 C ATOM 324 O LYS A 22 11.927 12.634 8.678 1.00 0.00 O ATOM 325 CB LYS A 22 9.472 12.727 10.767 1.00 0.00 C ATOM 326 CG LYS A 22 10.416 13.798 11.314 1.00 0.00 C ATOM 327 CD LYS A 22 9.736 15.169 11.339 1.00 0.00 C ATOM 328 CE LYS A 22 9.278 15.527 12.755 1.00 0.00 C ATOM 329 NZ LYS A 22 9.449 16.976 13.004 1.00 0.00 N ATOM 0 H LYS A 22 7.935 11.343 9.385 1.00 0.00 H new ATOM 0 HA LYS A 22 9.596 13.637 8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.444 12.972 11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.701 11.766 11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.734 13.528 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.314 13.845 10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.427 15.929 10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.879 15.167 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.232 15.250 12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.852 14.956 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.134 17.202 13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.452 17.230 12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.882 17.515 12.319 1.00 0.00 H new ATOM 342 N ALA A 23 10.818 10.670 8.515 1.00 0.00 N ATOM 343 CA ALA A 23 11.981 9.924 8.064 1.00 0.00 C ATOM 344 C ALA A 23 12.394 10.421 6.677 1.00 0.00 C ATOM 345 O ALA A 23 13.579 10.442 6.349 1.00 0.00 O ATOM 346 CB ALA A 23 11.664 8.427 8.076 1.00 0.00 C ATOM 0 H ALA A 23 9.965 10.118 8.603 1.00 0.00 H new ATOM 0 HA ALA A 23 12.824 10.084 8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.536 7.868 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.405 8.118 9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.824 8.228 7.410 1.00 0.00 H new ATOM 352 N ILE A 24 11.394 10.808 5.900 1.00 0.00 N ATOM 353 CA ILE A 24 11.638 11.303 4.556 1.00 0.00 C ATOM 354 C ILE A 24 11.820 12.821 4.602 1.00 0.00 C ATOM 355 O ILE A 24 12.432 13.404 3.708 1.00 0.00 O ATOM 356 CB ILE A 24 10.529 10.845 3.606 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.156 11.293 4.111 1.00 0.00 C ATOM 358 CG2 ILE A 24 10.592 9.333 3.378 1.00 0.00 C ATOM 359 CD1 ILE A 24 8.089 11.113 3.028 1.00 0.00 C ATOM 0 H ILE A 24 10.412 10.789 6.175 1.00 0.00 H new ATOM 0 HA ILE A 24 12.561 10.882 4.157 1.00 0.00 H new ATOM 0 HB ILE A 24 10.688 11.322 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.883 10.716 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.199 12.339 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.793 9.034 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.556 9.071 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.472 8.816 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.122 11.439 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.352 11.710 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.032 10.062 2.745 1.00 0.00 H new ATOM 371 N GLY A 25 11.277 13.420 5.652 1.00 0.00 N ATOM 372 CA GLY A 25 11.372 14.859 5.827 1.00 0.00 C ATOM 373 C GLY A 25 10.091 15.554 5.359 1.00 0.00 C ATOM 374 O GLY A 25 10.143 16.487 4.560 1.00 0.00 O ATOM 0 H GLY A 25 10.769 12.934 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.553 15.090 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.224 15.242 5.265 1.00 0.00 H new ATOM 378 N LEU A 26 8.972 15.070 5.876 1.00 0.00 N ATOM 379 CA LEU A 26 7.679 15.632 5.522 1.00 0.00 C ATOM 380 C LEU A 26 7.243 16.619 6.607 1.00 0.00 C ATOM 381 O LEU A 26 7.439 16.367 7.795 1.00 0.00 O ATOM 382 CB LEU A 26 6.664 14.518 5.259 1.00 0.00 C ATOM 383 CG LEU A 26 6.303 14.274 3.792 1.00 0.00 C ATOM 384 CD1 LEU A 26 5.097 15.118 3.376 1.00 0.00 C ATOM 385 CD2 LEU A 26 7.510 14.511 2.883 1.00 0.00 C ATOM 0 H LEU A 26 8.933 14.295 6.538 1.00 0.00 H new ATOM 0 HA LEU A 26 7.749 16.193 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.056 13.590 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.749 14.751 5.804 1.00 0.00 H new ATOM 0 HG LEU A 26 6.017 13.228 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.862 14.925 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.239 14.856 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.330 16.175 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.226 14.331 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.851 15.541 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.315 13.831 3.162 1.00 0.00 H new ATOM 397 N PRO A 27 6.642 17.750 6.148 1.00 0.00 N ATOM 398 CA PRO A 27 6.176 18.775 7.067 1.00 0.00 C ATOM 399 C PRO A 27 4.890 18.336 7.771 1.00 0.00 C ATOM 400 O PRO A 27 4.308 17.308 7.426 1.00 0.00 O ATOM 401 CB PRO A 27 5.989 20.015 6.209 1.00 0.00 C ATOM 402 CG PRO A 27 5.911 19.522 4.774 1.00 0.00 C ATOM 403 CD PRO A 27 6.392 18.081 4.749 1.00 0.00 C ATOM 0 HA PRO A 27 6.881 18.968 7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.081 20.549 6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.820 20.709 6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.889 19.590 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.528 20.142 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.642 17.421 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.296 17.976 4.149 1.00 0.00 H new ATOM 411 N GLU A 28 4.484 19.137 8.744 1.00 0.00 N ATOM 412 CA GLU A 28 3.278 18.846 9.500 1.00 0.00 C ATOM 413 C GLU A 28 2.037 19.212 8.683 1.00 0.00 C ATOM 414 O GLU A 28 0.996 18.568 8.806 1.00 0.00 O ATOM 415 CB GLU A 28 3.283 19.575 10.845 1.00 0.00 C ATOM 416 CG GLU A 28 2.827 21.026 10.684 1.00 0.00 C ATOM 417 CD GLU A 28 3.386 21.904 11.805 1.00 0.00 C ATOM 418 OE1 GLU A 28 4.499 21.655 12.291 1.00 0.00 O ATOM 419 OE2 GLU A 28 2.620 22.876 12.169 1.00 0.00 O ATOM 0 H GLU A 28 4.969 19.988 9.027 1.00 0.00 H new ATOM 0 HA GLU A 28 3.252 17.776 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.626 19.059 11.545 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.285 19.550 11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.156 21.409 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.738 21.072 10.690 1.00 0.00 H new ATOM 427 N GLU A 29 2.190 20.244 7.866 1.00 0.00 N ATOM 428 CA GLU A 29 1.094 20.703 7.029 1.00 0.00 C ATOM 429 C GLU A 29 0.659 19.594 6.069 1.00 0.00 C ATOM 430 O GLU A 29 -0.532 19.317 5.935 1.00 0.00 O ATOM 431 CB GLU A 29 1.484 21.969 6.262 1.00 0.00 C ATOM 432 CG GLU A 29 1.681 23.149 7.217 1.00 0.00 C ATOM 433 CD GLU A 29 0.376 23.496 7.935 1.00 0.00 C ATOM 434 OE1 GLU A 29 -0.597 23.912 7.288 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.392 23.320 9.213 1.00 0.00 O ATOM 0 H GLU A 29 3.055 20.775 7.766 1.00 0.00 H new ATOM 0 HA GLU A 29 0.250 20.952 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.403 21.791 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.710 22.211 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.450 22.904 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.036 24.016 6.661 1.00 0.00 H new ATOM 443 N LEU A 30 1.647 18.989 5.426 1.00 0.00 N ATOM 444 CA LEU A 30 1.381 17.917 4.483 1.00 0.00 C ATOM 445 C LEU A 30 0.945 16.666 5.249 1.00 0.00 C ATOM 446 O LEU A 30 0.091 15.914 4.783 1.00 0.00 O ATOM 447 CB LEU A 30 2.590 17.690 3.573 1.00 0.00 C ATOM 448 CG LEU A 30 2.805 18.732 2.473 1.00 0.00 C ATOM 449 CD1 LEU A 30 3.879 18.271 1.485 1.00 0.00 C ATOM 450 CD2 LEU A 30 1.488 19.070 1.772 1.00 0.00 C ATOM 0 H LEU A 30 2.634 19.221 5.540 1.00 0.00 H new ATOM 0 HA LEU A 30 0.559 18.189 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.486 17.655 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.489 16.711 3.104 1.00 0.00 H new ATOM 0 HG LEU A 30 3.166 19.650 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.013 19.029 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.820 18.122 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.570 17.333 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.670 19.813 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.073 18.168 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.781 19.471 2.499 1.00 0.00 H new ATOM 462 N ILE A 31 1.552 16.482 6.412 1.00 0.00 N ATOM 463 CA ILE A 31 1.238 15.336 7.248 1.00 0.00 C ATOM 464 C ILE A 31 -0.193 15.470 7.773 1.00 0.00 C ATOM 465 O ILE A 31 -0.952 14.501 7.771 1.00 0.00 O ATOM 466 CB ILE A 31 2.285 15.174 8.352 1.00 0.00 C ATOM 467 CG1 ILE A 31 3.511 14.418 7.837 1.00 0.00 C ATOM 468 CG2 ILE A 31 1.679 14.509 9.589 1.00 0.00 C ATOM 469 CD1 ILE A 31 4.763 14.799 8.630 1.00 0.00 C ATOM 0 H ILE A 31 2.260 17.108 6.795 1.00 0.00 H new ATOM 0 HA ILE A 31 1.280 14.416 6.664 1.00 0.00 H new ATOM 0 HB ILE A 31 2.621 16.166 8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.340 13.344 7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.663 14.641 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.444 14.406 10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.863 15.123 9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.298 13.523 9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.620 14.247 8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.945 15.869 8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.617 14.552 9.682 1.00 0.00 H new ATOM 481 N GLN A 32 -0.520 16.678 8.208 1.00 0.00 N ATOM 482 CA GLN A 32 -1.846 16.951 8.735 1.00 0.00 C ATOM 483 C GLN A 32 -2.866 17.015 7.596 1.00 0.00 C ATOM 484 O GLN A 32 -4.024 16.640 7.774 1.00 0.00 O ATOM 485 CB GLN A 32 -1.856 18.244 9.553 1.00 0.00 C ATOM 486 CG GLN A 32 -3.283 18.761 9.743 1.00 0.00 C ATOM 487 CD GLN A 32 -3.500 19.255 11.175 1.00 0.00 C ATOM 488 OE1 GLN A 32 -3.692 18.485 12.103 1.00 0.00 O ATOM 489 NE2 GLN A 32 -3.460 20.578 11.304 1.00 0.00 N ATOM 0 H GLN A 32 0.111 17.479 8.206 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.125 16.136 9.403 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.397 18.067 10.526 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.255 19.001 9.050 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.476 19.572 9.041 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.995 17.967 9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.295 21.165 10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.594 21.005 12.220 1.00 0.00 H new ATOM 498 N LYS A 33 -2.398 17.491 6.452 1.00 0.00 N ATOM 499 CA LYS A 33 -3.256 17.609 5.285 1.00 0.00 C ATOM 500 C LYS A 33 -3.665 16.211 4.815 1.00 0.00 C ATOM 501 O LYS A 33 -4.817 15.992 4.441 1.00 0.00 O ATOM 502 CB LYS A 33 -2.574 18.446 4.201 1.00 0.00 C ATOM 503 CG LYS A 33 -3.093 18.072 2.811 1.00 0.00 C ATOM 504 CD LYS A 33 -2.691 19.123 1.774 1.00 0.00 C ATOM 505 CE LYS A 33 -3.907 19.606 0.983 1.00 0.00 C ATOM 506 NZ LYS A 33 -3.534 20.727 0.092 1.00 0.00 N ATOM 0 H LYS A 33 -1.436 17.799 6.308 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.172 18.142 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.754 19.505 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.496 18.293 4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.696 17.099 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.179 17.979 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.218 19.969 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.953 18.702 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.314 18.785 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.691 19.925 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.371 21.043 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.167 21.516 0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.801 20.411 -0.575 1.00 0.00 H new ATOM 519 N GLY A 34 -2.702 15.303 4.851 1.00 0.00 N ATOM 520 CA GLY A 34 -2.947 13.934 4.434 1.00 0.00 C ATOM 521 C GLY A 34 -3.750 13.175 5.493 1.00 0.00 C ATOM 522 O GLY A 34 -4.714 12.483 5.168 1.00 0.00 O ATOM 0 H GLY A 34 -1.749 15.489 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.489 13.929 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.998 13.427 4.260 1.00 0.00 H new ATOM 526 N LYS A 35 -3.324 13.330 6.737 1.00 0.00 N ATOM 527 CA LYS A 35 -3.990 12.667 7.844 1.00 0.00 C ATOM 528 C LYS A 35 -5.472 13.049 7.843 1.00 0.00 C ATOM 529 O LYS A 35 -6.313 12.288 8.321 1.00 0.00 O ATOM 530 CB LYS A 35 -3.277 12.976 9.163 1.00 0.00 C ATOM 531 CG LYS A 35 -3.446 11.829 10.160 1.00 0.00 C ATOM 532 CD LYS A 35 -2.694 12.118 11.461 1.00 0.00 C ATOM 533 CE LYS A 35 -3.669 12.384 12.610 1.00 0.00 C ATOM 534 NZ LYS A 35 -3.537 11.340 13.652 1.00 0.00 N ATOM 0 H LYS A 35 -2.525 13.906 7.003 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.938 11.585 7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.217 13.147 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.677 13.896 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.505 11.681 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.076 10.903 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.054 11.272 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.043 12.981 11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.472 13.365 13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.691 12.402 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.205 11.534 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.747 10.409 13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.566 11.342 14.025 1.00 0.00 H new ATOM 547 N ASP A 36 -5.747 14.225 7.301 1.00 0.00 N ATOM 548 CA ASP A 36 -7.113 14.717 7.232 1.00 0.00 C ATOM 549 C ASP A 36 -7.858 13.982 6.116 1.00 0.00 C ATOM 550 O ASP A 36 -9.069 14.139 5.966 1.00 0.00 O ATOM 551 CB ASP A 36 -7.145 16.213 6.916 1.00 0.00 C ATOM 552 CG ASP A 36 -8.523 16.769 6.556 1.00 0.00 C ATOM 553 OD1 ASP A 36 -8.899 16.833 5.376 1.00 0.00 O ATOM 554 OD2 ASP A 36 -9.235 17.154 7.561 1.00 0.00 O ATOM 0 H ASP A 36 -5.047 14.853 6.905 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.583 14.543 8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.764 16.759 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.463 16.409 6.088 1.00 0.00 H new ATOM 560 N ILE A 37 -7.103 13.197 5.361 1.00 0.00 N ATOM 561 CA ILE A 37 -7.678 12.439 4.263 1.00 0.00 C ATOM 562 C ILE A 37 -7.519 10.943 4.544 1.00 0.00 C ATOM 563 O ILE A 37 -6.402 10.428 4.572 1.00 0.00 O ATOM 564 CB ILE A 37 -7.069 12.881 2.931 1.00 0.00 C ATOM 565 CG1 ILE A 37 -7.083 14.406 2.801 1.00 0.00 C ATOM 566 CG2 ILE A 37 -7.773 12.200 1.754 1.00 0.00 C ATOM 567 CD1 ILE A 37 -6.408 14.852 1.502 1.00 0.00 C ATOM 0 H ILE A 37 -6.099 13.070 5.488 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.747 12.638 4.181 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.026 12.565 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.111 14.767 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.570 14.852 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.321 12.531 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.669 11.119 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.830 12.465 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.432 15.940 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.373 14.510 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.938 14.424 0.651 1.00 0.00 H new ATOM 579 N LYS A 38 -8.653 10.288 4.746 1.00 0.00 N ATOM 580 CA LYS A 38 -8.654 8.862 5.025 1.00 0.00 C ATOM 581 C LYS A 38 -8.040 8.115 3.840 1.00 0.00 C ATOM 582 O LYS A 38 -8.318 8.437 2.686 1.00 0.00 O ATOM 583 CB LYS A 38 -10.063 8.388 5.387 1.00 0.00 C ATOM 584 CG LYS A 38 -10.545 9.042 6.683 1.00 0.00 C ATOM 585 CD LYS A 38 -11.449 8.094 7.473 1.00 0.00 C ATOM 586 CE LYS A 38 -11.183 8.206 8.975 1.00 0.00 C ATOM 587 NZ LYS A 38 -11.840 9.411 9.530 1.00 0.00 N ATOM 0 H LYS A 38 -9.577 10.719 4.722 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.036 8.644 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.751 8.628 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.068 7.304 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.687 9.324 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.087 9.959 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.494 8.326 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.280 7.068 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.554 7.316 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.109 8.253 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.649 9.472 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.467 10.259 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.866 9.350 9.373 1.00 0.00 H new ATOM 600 N GLY A 39 -7.213 7.131 4.164 1.00 0.00 N ATOM 601 CA GLY A 39 -6.558 6.336 3.141 1.00 0.00 C ATOM 602 C GLY A 39 -7.425 5.144 2.732 1.00 0.00 C ATOM 603 O GLY A 39 -7.753 4.296 3.560 1.00 0.00 O ATOM 0 H GLY A 39 -6.982 6.867 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.353 6.957 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.597 5.980 3.512 1.00 0.00 H new ATOM 607 N VAL A 40 -7.774 5.119 1.453 1.00 0.00 N ATOM 608 CA VAL A 40 -8.598 4.045 0.924 1.00 0.00 C ATOM 609 C VAL A 40 -7.815 3.291 -0.152 1.00 0.00 C ATOM 610 O VAL A 40 -6.977 3.873 -0.838 1.00 0.00 O ATOM 611 CB VAL A 40 -9.926 4.609 0.413 1.00 0.00 C ATOM 612 CG1 VAL A 40 -10.680 3.567 -0.417 1.00 0.00 C ATOM 613 CG2 VAL A 40 -10.789 5.116 1.571 1.00 0.00 C ATOM 0 H VAL A 40 -7.501 5.825 0.769 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.844 3.329 1.708 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.703 5.457 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.620 3.993 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.072 3.274 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.886 2.691 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.727 5.511 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.999 4.294 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.257 5.904 2.103 1.00 0.00 H new ATOM 623 N SER A 41 -8.118 2.006 -0.267 1.00 0.00 N ATOM 624 CA SER A 41 -7.453 1.165 -1.247 1.00 0.00 C ATOM 625 C SER A 41 -8.478 0.279 -1.959 1.00 0.00 C ATOM 626 O SER A 41 -9.362 -0.289 -1.320 1.00 0.00 O ATOM 627 CB SER A 41 -6.372 0.304 -0.592 1.00 0.00 C ATOM 628 OG SER A 41 -5.073 0.600 -1.099 1.00 0.00 O ATOM 0 H SER A 41 -8.815 1.527 0.303 1.00 0.00 H new ATOM 0 HA SER A 41 -6.970 1.812 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.385 0.464 0.486 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.596 -0.749 -0.761 1.00 0.00 H new ATOM 0 HG SER A 41 -4.818 -0.076 -1.761 1.00 0.00 H new ATOM 634 N GLU A 42 -8.326 0.191 -3.272 1.00 0.00 N ATOM 635 CA GLU A 42 -9.228 -0.614 -4.077 1.00 0.00 C ATOM 636 C GLU A 42 -8.499 -1.846 -4.619 1.00 0.00 C ATOM 637 O GLU A 42 -7.278 -1.834 -4.767 1.00 0.00 O ATOM 638 CB GLU A 42 -9.832 0.210 -5.216 1.00 0.00 C ATOM 639 CG GLU A 42 -11.305 -0.144 -5.427 1.00 0.00 C ATOM 640 CD GLU A 42 -11.617 -0.330 -6.913 1.00 0.00 C ATOM 641 OE1 GLU A 42 -10.703 -0.587 -7.712 1.00 0.00 O ATOM 642 OE2 GLU A 42 -12.861 -0.199 -7.230 1.00 0.00 O ATOM 0 H GLU A 42 -7.591 0.664 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.048 -0.950 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.738 1.272 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.275 0.029 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.544 -1.059 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.935 0.645 -5.016 1.00 0.00 H new ATOM 650 N ILE A 43 -9.279 -2.880 -4.899 1.00 0.00 N ATOM 651 CA ILE A 43 -8.722 -4.117 -5.421 1.00 0.00 C ATOM 652 C ILE A 43 -9.288 -4.377 -6.818 1.00 0.00 C ATOM 653 O ILE A 43 -10.503 -4.478 -6.990 1.00 0.00 O ATOM 654 CB ILE A 43 -8.957 -5.266 -4.439 1.00 0.00 C ATOM 655 CG1 ILE A 43 -8.415 -4.920 -3.051 1.00 0.00 C ATOM 656 CG2 ILE A 43 -8.369 -6.574 -4.974 1.00 0.00 C ATOM 657 CD1 ILE A 43 -9.184 -5.669 -1.960 1.00 0.00 C ATOM 0 H ILE A 43 -10.291 -2.887 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.640 -4.033 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.032 -5.414 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.357 -5.175 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.493 -3.846 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.550 -7.374 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.842 -6.824 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.296 -6.456 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.779 -5.405 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.238 -5.393 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.084 -6.743 -2.116 1.00 0.00 H new ATOM 669 N VAL A 44 -8.383 -4.477 -7.780 1.00 0.00 N ATOM 670 CA VAL A 44 -8.778 -4.722 -9.157 1.00 0.00 C ATOM 671 C VAL A 44 -8.100 -6.000 -9.657 1.00 0.00 C ATOM 672 O VAL A 44 -6.911 -6.209 -9.422 1.00 0.00 O ATOM 673 CB VAL A 44 -8.459 -3.499 -10.019 1.00 0.00 C ATOM 674 CG1 VAL A 44 -8.880 -3.729 -11.472 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.117 -2.241 -9.450 1.00 0.00 C ATOM 0 H VAL A 44 -7.377 -4.393 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.855 -4.877 -9.224 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.380 -3.349 -10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.643 -2.845 -12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.345 -4.589 -11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.953 -3.917 -11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.874 -1.386 -10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.198 -2.377 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.748 -2.062 -8.440 1.00 0.00 H new ATOM 685 N GLN A 45 -8.885 -6.822 -10.337 1.00 0.00 N ATOM 686 CA GLN A 45 -8.376 -8.072 -10.872 1.00 0.00 C ATOM 687 C GLN A 45 -8.748 -8.208 -12.350 1.00 0.00 C ATOM 688 O GLN A 45 -9.818 -7.768 -12.768 1.00 0.00 O ATOM 689 CB GLN A 45 -8.893 -9.265 -10.065 1.00 0.00 C ATOM 690 CG GLN A 45 -8.672 -10.576 -10.822 1.00 0.00 C ATOM 691 CD GLN A 45 -9.914 -10.957 -11.632 1.00 0.00 C ATOM 692 OE1 GLN A 45 -10.025 -10.674 -12.814 1.00 0.00 O ATOM 693 NE2 GLN A 45 -10.836 -11.612 -10.933 1.00 0.00 N ATOM 0 H GLN A 45 -9.871 -6.646 -10.530 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.289 -8.063 -10.790 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.383 -9.306 -9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.955 -9.135 -9.857 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.815 -10.475 -11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.435 -11.372 -10.116 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.678 -11.816 -9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.701 -11.910 -11.384 1.00 0.00 H new ATOM 702 N ASN A 46 -7.843 -8.819 -13.101 1.00 0.00 N ATOM 703 CA ASN A 46 -8.063 -9.018 -14.524 1.00 0.00 C ATOM 704 C ASN A 46 -7.205 -10.189 -15.009 1.00 0.00 C ATOM 705 O ASN A 46 -6.320 -10.010 -15.844 1.00 0.00 O ATOM 706 CB ASN A 46 -7.662 -7.776 -15.322 1.00 0.00 C ATOM 707 CG ASN A 46 -8.850 -6.827 -15.493 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.886 -7.179 -16.033 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.643 -5.607 -15.004 1.00 0.00 N ATOM 0 H ASN A 46 -6.956 -9.183 -12.751 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.124 -9.218 -14.677 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.849 -7.259 -14.812 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.286 -8.074 -16.301 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.376 -4.900 -15.069 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.752 -5.378 -14.564 1.00 0.00 H new ATOM 716 N GLY A 47 -7.498 -11.360 -14.464 1.00 0.00 N ATOM 717 CA GLY A 47 -6.765 -12.560 -14.831 1.00 0.00 C ATOM 718 C GLY A 47 -5.264 -12.378 -14.599 1.00 0.00 C ATOM 719 O GLY A 47 -4.524 -12.055 -15.528 1.00 0.00 O ATOM 0 H GLY A 47 -8.233 -11.504 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.127 -13.405 -14.246 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.949 -12.796 -15.879 1.00 0.00 H new ATOM 723 N LYS A 48 -4.858 -12.591 -13.356 1.00 0.00 N ATOM 724 CA LYS A 48 -3.459 -12.454 -12.991 1.00 0.00 C ATOM 725 C LYS A 48 -3.137 -10.975 -12.767 1.00 0.00 C ATOM 726 O LYS A 48 -2.617 -10.602 -11.717 1.00 0.00 O ATOM 727 CB LYS A 48 -2.565 -13.126 -14.035 1.00 0.00 C ATOM 728 CG LYS A 48 -3.159 -14.461 -14.490 1.00 0.00 C ATOM 729 CD LYS A 48 -2.135 -15.590 -14.359 1.00 0.00 C ATOM 730 CE LYS A 48 -2.606 -16.644 -13.355 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.855 -17.907 -13.538 1.00 0.00 N ATOM 0 H LYS A 48 -5.474 -12.858 -12.588 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.258 -12.970 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.444 -12.466 -14.894 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.572 -13.290 -13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.040 -14.693 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.488 -14.382 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.975 -16.055 -15.332 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.176 -15.181 -14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.466 -16.275 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.673 -16.826 -13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.187 -18.611 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.009 -18.266 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.840 -17.732 -13.392 1.00 0.00 H new ATOM 744 N HIS A 49 -3.460 -10.174 -13.771 1.00 0.00 N ATOM 745 CA HIS A 49 -3.212 -8.743 -13.697 1.00 0.00 C ATOM 746 C HIS A 49 -4.203 -8.101 -12.724 1.00 0.00 C ATOM 747 O HIS A 49 -5.409 -8.322 -12.824 1.00 0.00 O ATOM 748 CB HIS A 49 -3.253 -8.112 -15.089 1.00 0.00 C ATOM 749 CG HIS A 49 -3.975 -6.786 -15.141 1.00 0.00 C ATOM 750 ND1 HIS A 49 -4.859 -6.454 -16.152 1.00 0.00 N ATOM 751 CD2 HIS A 49 -3.935 -5.716 -14.298 1.00 0.00 C ATOM 752 CE1 HIS A 49 -5.325 -5.235 -15.918 1.00 0.00 C ATOM 753 NE2 HIS A 49 -4.750 -4.779 -14.768 1.00 0.00 N ATOM 0 H HIS A 49 -3.891 -10.488 -14.640 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.209 -8.563 -13.311 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.232 -7.972 -15.444 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.737 -8.805 -15.777 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.341 -5.643 -13.399 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.035 -4.698 -16.530 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.918 -3.869 -14.340 1.00 0.00 H new ATOM 761 N PHE A 50 -3.658 -7.317 -11.805 1.00 0.00 N ATOM 762 CA PHE A 50 -4.479 -6.641 -10.816 1.00 0.00 C ATOM 763 C PHE A 50 -4.172 -5.143 -10.780 1.00 0.00 C ATOM 764 O PHE A 50 -3.008 -4.743 -10.776 1.00 0.00 O ATOM 765 CB PHE A 50 -4.136 -7.253 -9.456 1.00 0.00 C ATOM 766 CG PHE A 50 -4.983 -8.473 -9.091 1.00 0.00 C ATOM 767 CD1 PHE A 50 -5.002 -9.557 -9.912 1.00 0.00 C ATOM 768 CD2 PHE A 50 -5.715 -8.474 -7.945 1.00 0.00 C ATOM 769 CE1 PHE A 50 -5.789 -10.690 -9.572 1.00 0.00 C ATOM 770 CE2 PHE A 50 -6.502 -9.607 -7.606 1.00 0.00 C ATOM 771 CZ PHE A 50 -6.521 -10.691 -8.427 1.00 0.00 C ATOM 0 H PHE A 50 -2.658 -7.135 -11.725 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.534 -6.762 -11.062 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.084 -7.540 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.261 -6.493 -8.685 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.419 -9.557 -10.821 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.698 -7.613 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.806 -11.551 -10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.085 -9.608 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.118 -11.553 -8.169 1.00 0.00 H new ATOM 781 N LYS A 51 -5.236 -4.354 -10.756 1.00 0.00 N ATOM 782 CA LYS A 51 -5.095 -2.907 -10.722 1.00 0.00 C ATOM 783 C LYS A 51 -5.208 -2.424 -9.274 1.00 0.00 C ATOM 784 O LYS A 51 -5.860 -3.063 -8.451 1.00 0.00 O ATOM 785 CB LYS A 51 -6.098 -2.249 -11.670 1.00 0.00 C ATOM 786 CG LYS A 51 -5.399 -1.259 -12.606 1.00 0.00 C ATOM 787 CD LYS A 51 -6.393 -0.242 -13.169 1.00 0.00 C ATOM 788 CE LYS A 51 -6.455 1.009 -12.291 1.00 0.00 C ATOM 789 NZ LYS A 51 -6.971 2.160 -13.064 1.00 0.00 N ATOM 0 H LYS A 51 -6.200 -4.689 -10.759 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.110 -2.610 -11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.605 -3.015 -12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.864 -1.731 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.608 -0.739 -12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.924 -1.800 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.101 0.035 -14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.383 -0.694 -13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.097 0.825 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.462 1.239 -11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.713 3.045 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.557 2.151 -14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.006 2.094 -13.136 1.00 0.00 H new ATOM 802 N PHE A 52 -4.562 -1.297 -9.009 1.00 0.00 N ATOM 803 CA PHE A 52 -4.581 -0.720 -7.676 1.00 0.00 C ATOM 804 C PHE A 52 -4.599 0.808 -7.740 1.00 0.00 C ATOM 805 O PHE A 52 -4.066 1.400 -8.677 1.00 0.00 O ATOM 806 CB PHE A 52 -3.300 -1.174 -6.973 1.00 0.00 C ATOM 807 CG PHE A 52 -3.538 -1.841 -5.616 1.00 0.00 C ATOM 808 CD1 PHE A 52 -3.998 -3.120 -5.558 1.00 0.00 C ATOM 809 CD2 PHE A 52 -3.287 -1.156 -4.468 1.00 0.00 C ATOM 810 CE1 PHE A 52 -4.218 -3.739 -4.300 1.00 0.00 C ATOM 811 CE2 PHE A 52 -3.507 -1.775 -3.210 1.00 0.00 C ATOM 812 CZ PHE A 52 -3.968 -3.053 -3.152 1.00 0.00 C ATOM 0 H PHE A 52 -4.023 -0.769 -9.695 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.475 -1.045 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.770 -1.872 -7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.649 -0.311 -6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.196 -3.664 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.920 -0.141 -4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.584 -4.754 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.308 -1.231 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.136 -3.524 -2.194 1.00 0.00 H new ATOM 822 N THR A 53 -5.218 1.404 -6.731 1.00 0.00 N ATOM 823 CA THR A 53 -5.312 2.852 -6.661 1.00 0.00 C ATOM 824 C THR A 53 -4.599 3.374 -5.412 1.00 0.00 C ATOM 825 O THR A 53 -4.653 2.747 -4.355 1.00 0.00 O ATOM 826 CB THR A 53 -6.792 3.233 -6.720 1.00 0.00 C ATOM 827 OG1 THR A 53 -7.168 2.964 -8.068 1.00 0.00 O ATOM 828 CG2 THR A 53 -7.017 4.738 -6.566 1.00 0.00 C ATOM 0 H THR A 53 -5.659 0.910 -5.955 1.00 0.00 H new ATOM 0 HA THR A 53 -4.807 3.322 -7.505 1.00 0.00 H new ATOM 0 HB THR A 53 -7.333 2.702 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.115 3.182 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.084 4.953 -6.615 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.624 5.068 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.503 5.267 -7.369 1.00 0.00 H new ATOM 836 N ILE A 54 -3.948 4.516 -5.575 1.00 0.00 N ATOM 837 CA ILE A 54 -3.226 5.129 -4.472 1.00 0.00 C ATOM 838 C ILE A 54 -3.868 6.476 -4.133 1.00 0.00 C ATOM 839 O ILE A 54 -4.136 7.282 -5.024 1.00 0.00 O ATOM 840 CB ILE A 54 -1.734 5.223 -4.797 1.00 0.00 C ATOM 841 CG1 ILE A 54 -1.217 3.911 -5.392 1.00 0.00 C ATOM 842 CG2 ILE A 54 -0.931 5.650 -3.566 1.00 0.00 C ATOM 843 CD1 ILE A 54 0.194 4.084 -5.957 1.00 0.00 C ATOM 0 H ILE A 54 -3.905 5.033 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.296 4.509 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.598 5.995 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.213 3.136 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.890 3.575 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.126 5.709 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.277 6.626 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.070 4.919 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.538 3.137 -6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.182 4.842 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.869 4.396 -5.160 1.00 0.00 H new ATOM 855 N THR A 55 -4.096 6.679 -2.844 1.00 0.00 N ATOM 856 CA THR A 55 -4.701 7.914 -2.377 1.00 0.00 C ATOM 857 C THR A 55 -3.810 8.583 -1.329 1.00 0.00 C ATOM 858 O THR A 55 -4.018 8.409 -0.130 1.00 0.00 O ATOM 859 CB THR A 55 -6.105 7.587 -1.861 1.00 0.00 C ATOM 860 OG1 THR A 55 -6.832 7.235 -3.034 1.00 0.00 O ATOM 861 CG2 THR A 55 -6.833 8.820 -1.325 1.00 0.00 C ATOM 0 H THR A 55 -3.873 6.009 -2.108 1.00 0.00 H new ATOM 0 HA THR A 55 -4.796 8.638 -3.186 1.00 0.00 H new ATOM 0 HB THR A 55 -6.037 6.836 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.754 7.006 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.823 8.533 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.264 9.249 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.932 9.559 -2.120 1.00 0.00 H new ATOM 869 N ALA A 56 -2.834 9.332 -1.821 1.00 0.00 N ATOM 870 CA ALA A 56 -1.909 10.028 -0.943 1.00 0.00 C ATOM 871 C ALA A 56 -1.898 11.516 -1.296 1.00 0.00 C ATOM 872 O ALA A 56 -1.103 11.954 -2.125 1.00 0.00 O ATOM 873 CB ALA A 56 -0.522 9.391 -1.054 1.00 0.00 C ATOM 0 H ALA A 56 -2.664 9.472 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.226 9.939 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.172 9.913 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.579 8.342 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.170 9.463 -2.083 1.00 0.00 H new ATOM 879 N GLY A 57 -2.790 12.252 -0.649 1.00 0.00 N ATOM 880 CA GLY A 57 -2.892 13.682 -0.884 1.00 0.00 C ATOM 881 C GLY A 57 -3.995 13.993 -1.899 1.00 0.00 C ATOM 882 O GLY A 57 -3.784 14.763 -2.834 1.00 0.00 O ATOM 0 H GLY A 57 -3.449 11.885 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.102 14.195 0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.938 14.063 -1.249 1.00 0.00 H new ATOM 886 N SER A 58 -5.147 13.378 -1.678 1.00 0.00 N ATOM 887 CA SER A 58 -6.284 13.579 -2.561 1.00 0.00 C ATOM 888 C SER A 58 -5.834 13.490 -4.021 1.00 0.00 C ATOM 889 O SER A 58 -6.027 14.429 -4.792 1.00 0.00 O ATOM 890 CB SER A 58 -6.957 14.927 -2.294 1.00 0.00 C ATOM 891 OG SER A 58 -8.275 14.981 -2.833 1.00 0.00 O ATOM 0 H SER A 58 -5.318 12.740 -0.901 1.00 0.00 H new ATOM 0 HA SER A 58 -7.014 12.794 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.997 15.106 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.355 15.725 -2.728 1.00 0.00 H new ATOM 0 HG SER A 58 -8.672 15.856 -2.641 1.00 0.00 H new ATOM 897 N LYS A 59 -5.243 12.352 -4.356 1.00 0.00 N ATOM 898 CA LYS A 59 -4.764 12.129 -5.710 1.00 0.00 C ATOM 899 C LYS A 59 -4.770 10.628 -6.007 1.00 0.00 C ATOM 900 O LYS A 59 -4.248 9.835 -5.225 1.00 0.00 O ATOM 901 CB LYS A 59 -3.400 12.790 -5.912 1.00 0.00 C ATOM 902 CG LYS A 59 -2.406 12.338 -4.839 1.00 0.00 C ATOM 903 CD LYS A 59 -0.968 12.656 -5.254 1.00 0.00 C ATOM 904 CE LYS A 59 -0.237 11.391 -5.708 1.00 0.00 C ATOM 905 NZ LYS A 59 1.199 11.468 -5.356 1.00 0.00 N ATOM 0 H LYS A 59 -5.085 11.575 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.430 12.601 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.013 12.539 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.509 13.874 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.634 12.834 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.511 11.266 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.972 13.388 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.435 13.108 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.686 10.516 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.347 11.267 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.681 10.602 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.627 12.292 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.299 11.564 -4.325 1.00 0.00 H new ATOM 918 N VAL A 60 -5.366 10.283 -7.138 1.00 0.00 N ATOM 919 CA VAL A 60 -5.446 8.891 -7.549 1.00 0.00 C ATOM 920 C VAL A 60 -4.479 8.649 -8.709 1.00 0.00 C ATOM 921 O VAL A 60 -4.143 9.576 -9.446 1.00 0.00 O ATOM 922 CB VAL A 60 -6.893 8.530 -7.891 1.00 0.00 C ATOM 923 CG1 VAL A 60 -7.749 9.787 -8.054 1.00 0.00 C ATOM 924 CG2 VAL A 60 -6.958 7.654 -9.144 1.00 0.00 C ATOM 0 H VAL A 60 -5.799 10.944 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.145 8.234 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.300 7.955 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.772 9.501 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.742 10.355 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.344 10.402 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.997 7.412 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.524 8.192 -9.987 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.399 6.734 -8.974 1.00 0.00 H new ATOM 934 N ILE A 61 -4.058 7.399 -8.836 1.00 0.00 N ATOM 935 CA ILE A 61 -3.137 7.024 -9.895 1.00 0.00 C ATOM 936 C ILE A 61 -3.562 5.676 -10.481 1.00 0.00 C ATOM 937 O ILE A 61 -3.951 4.770 -9.745 1.00 0.00 O ATOM 938 CB ILE A 61 -1.695 7.044 -9.382 1.00 0.00 C ATOM 939 CG1 ILE A 61 -1.348 8.406 -8.777 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.716 6.639 -10.485 1.00 0.00 C ATOM 941 CD1 ILE A 61 -0.005 8.354 -8.046 1.00 0.00 C ATOM 0 H ILE A 61 -4.338 6.633 -8.223 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.173 7.751 -10.707 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.604 6.306 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.309 9.159 -9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.132 8.711 -8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.301 6.661 -10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.951 5.631 -10.828 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.800 7.335 -11.319 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.218 9.334 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.056 7.618 -7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.780 8.073 -8.747 1.00 0.00 H new ATOM 953 N GLN A 62 -3.474 5.586 -11.799 1.00 0.00 N ATOM 954 CA GLN A 62 -3.844 4.364 -12.493 1.00 0.00 C ATOM 955 C GLN A 62 -2.593 3.569 -12.873 1.00 0.00 C ATOM 956 O GLN A 62 -1.755 4.049 -13.634 1.00 0.00 O ATOM 957 CB GLN A 62 -4.695 4.670 -13.727 1.00 0.00 C ATOM 958 CG GLN A 62 -3.870 5.389 -14.796 1.00 0.00 C ATOM 959 CD GLN A 62 -4.665 6.538 -15.421 1.00 0.00 C ATOM 960 OE1 GLN A 62 -5.877 6.489 -15.552 1.00 0.00 O ATOM 961 NE2 GLN A 62 -3.918 7.571 -15.798 1.00 0.00 N ATOM 0 H GLN A 62 -3.152 6.340 -12.406 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.446 3.755 -11.819 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.097 3.743 -14.135 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.546 5.288 -13.442 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.952 5.776 -14.353 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.576 4.681 -15.571 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.908 7.547 -15.659 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.355 8.387 -16.226 1.00 0.00 H new ATOM 970 N ASN A 63 -2.507 2.365 -12.324 1.00 0.00 N ATOM 971 CA ASN A 63 -1.373 1.499 -12.596 1.00 0.00 C ATOM 972 C ASN A 63 -1.778 0.043 -12.357 1.00 0.00 C ATOM 973 O ASN A 63 -2.554 -0.246 -11.447 1.00 0.00 O ATOM 974 CB ASN A 63 -0.199 1.821 -11.669 1.00 0.00 C ATOM 975 CG ASN A 63 1.091 2.021 -12.467 1.00 0.00 C ATOM 976 OD1 ASN A 63 1.256 1.518 -13.566 1.00 0.00 O ATOM 977 ND2 ASN A 63 1.993 2.782 -11.855 1.00 0.00 N ATOM 0 H ASN A 63 -3.204 1.970 -11.693 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.070 1.657 -13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.420 2.722 -11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.065 1.012 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.887 2.976 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.791 3.172 -10.935 1.00 0.00 H new ATOM 984 N GLU A 64 -1.237 -0.833 -13.189 1.00 0.00 N ATOM 985 CA GLU A 64 -1.533 -2.251 -13.079 1.00 0.00 C ATOM 986 C GLU A 64 -0.250 -3.043 -12.822 1.00 0.00 C ATOM 987 O GLU A 64 0.831 -2.636 -13.244 1.00 0.00 O ATOM 988 CB GLU A 64 -2.250 -2.760 -14.331 1.00 0.00 C ATOM 989 CG GLU A 64 -1.475 -2.389 -15.596 1.00 0.00 C ATOM 990 CD GLU A 64 -2.229 -1.338 -16.413 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.823 -0.415 -15.837 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.183 -1.504 -17.691 1.00 0.00 O ATOM 0 H GLU A 64 -0.595 -0.589 -13.943 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.203 -2.398 -12.232 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.364 -3.843 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.253 -2.336 -14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.491 -2.007 -15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.315 -3.280 -16.203 1.00 0.00 H new ATOM 1000 N PHE A 65 -0.411 -4.162 -12.131 1.00 0.00 N ATOM 1001 CA PHE A 65 0.722 -5.016 -11.813 1.00 0.00 C ATOM 1002 C PHE A 65 0.337 -6.493 -11.905 1.00 0.00 C ATOM 1003 O PHE A 65 -0.744 -6.886 -11.471 1.00 0.00 O ATOM 1004 CB PHE A 65 1.131 -4.696 -10.374 1.00 0.00 C ATOM 1005 CG PHE A 65 0.104 -5.124 -9.324 1.00 0.00 C ATOM 1006 CD1 PHE A 65 0.143 -6.381 -8.807 1.00 0.00 C ATOM 1007 CD2 PHE A 65 -0.849 -4.247 -8.908 1.00 0.00 C ATOM 1008 CE1 PHE A 65 -0.810 -6.779 -7.833 1.00 0.00 C ATOM 1009 CE2 PHE A 65 -1.802 -4.645 -7.934 1.00 0.00 C ATOM 1010 CZ PHE A 65 -1.762 -5.902 -7.417 1.00 0.00 C ATOM 0 H PHE A 65 -1.309 -4.497 -11.782 1.00 0.00 H new ATOM 0 HA PHE A 65 1.534 -4.836 -12.517 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.080 -5.187 -10.160 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.300 -3.623 -10.286 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.900 -7.077 -9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.881 -3.249 -9.318 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.779 -7.778 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.559 -3.949 -7.604 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.487 -6.204 -6.675 1.00 0.00 H new ATOM 1020 N THR A 66 1.245 -7.274 -12.474 1.00 0.00 N ATOM 1021 CA THR A 66 1.015 -8.700 -12.628 1.00 0.00 C ATOM 1022 C THR A 66 1.888 -9.490 -11.651 1.00 0.00 C ATOM 1023 O THR A 66 2.928 -9.005 -11.211 1.00 0.00 O ATOM 1024 CB THR A 66 1.263 -9.063 -14.094 1.00 0.00 C ATOM 1025 OG1 THR A 66 0.176 -8.459 -14.789 1.00 0.00 O ATOM 1026 CG2 THR A 66 1.093 -10.560 -14.364 1.00 0.00 C ATOM 0 H THR A 66 2.141 -6.945 -12.834 1.00 0.00 H new ATOM 0 HA THR A 66 -0.014 -8.963 -12.382 1.00 0.00 H new ATOM 0 HB THR A 66 2.269 -8.755 -14.379 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.258 -8.643 -15.748 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.280 -10.763 -15.418 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.801 -11.122 -13.755 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.077 -10.862 -14.111 1.00 0.00 H new ATOM 1034 N VAL A 67 1.430 -10.694 -11.339 1.00 0.00 N ATOM 1035 CA VAL A 67 2.156 -11.556 -10.422 1.00 0.00 C ATOM 1036 C VAL A 67 3.106 -12.454 -11.217 1.00 0.00 C ATOM 1037 O VAL A 67 2.841 -12.774 -12.375 1.00 0.00 O ATOM 1038 CB VAL A 67 1.172 -12.345 -9.556 1.00 0.00 C ATOM 1039 CG1 VAL A 67 1.771 -12.645 -8.180 1.00 0.00 C ATOM 1040 CG2 VAL A 67 -0.159 -11.602 -9.422 1.00 0.00 C ATOM 0 H VAL A 67 0.565 -11.093 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 67 2.765 -10.962 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 67 0.978 -13.296 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.051 -13.207 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.681 -13.233 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.008 -11.709 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.840 -12.185 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.012 -10.630 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.598 -11.461 -10.410 1.00 0.00 H new ATOM 1050 N GLY A 68 4.193 -12.837 -10.563 1.00 0.00 N ATOM 1051 CA GLY A 68 5.184 -13.692 -11.193 1.00 0.00 C ATOM 1052 C GLY A 68 6.237 -12.861 -11.929 1.00 0.00 C ATOM 1053 O GLY A 68 7.386 -13.281 -12.056 1.00 0.00 O ATOM 0 H GLY A 68 4.409 -12.570 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.667 -14.312 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.694 -14.368 -11.894 1.00 0.00 H new ATOM 1057 N GLU A 69 5.808 -11.697 -12.392 1.00 0.00 N ATOM 1058 CA GLU A 69 6.700 -10.802 -13.110 1.00 0.00 C ATOM 1059 C GLU A 69 6.767 -9.444 -12.411 1.00 0.00 C ATOM 1060 O GLU A 69 5.772 -8.975 -11.859 1.00 0.00 O ATOM 1061 CB GLU A 69 6.264 -10.647 -14.569 1.00 0.00 C ATOM 1062 CG GLU A 69 6.876 -9.392 -15.194 1.00 0.00 C ATOM 1063 CD GLU A 69 7.062 -9.566 -16.702 1.00 0.00 C ATOM 1064 OE1 GLU A 69 6.438 -10.451 -17.307 1.00 0.00 O ATOM 1065 OE2 GLU A 69 7.890 -8.742 -17.248 1.00 0.00 O ATOM 0 H GLU A 69 4.854 -11.352 -12.284 1.00 0.00 H new ATOM 0 HA GLU A 69 7.699 -11.239 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.567 -11.526 -15.138 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.177 -10.591 -14.623 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.233 -8.534 -15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.838 -9.181 -14.727 1.00 0.00 H new ATOM 1073 N GLU A 70 7.949 -8.848 -12.456 1.00 0.00 N ATOM 1074 CA GLU A 70 8.159 -7.552 -11.833 1.00 0.00 C ATOM 1075 C GLU A 70 7.449 -6.457 -12.634 1.00 0.00 C ATOM 1076 O GLU A 70 7.660 -6.329 -13.839 1.00 0.00 O ATOM 1077 CB GLU A 70 9.651 -7.247 -11.691 1.00 0.00 C ATOM 1078 CG GLU A 70 10.043 -7.103 -10.219 1.00 0.00 C ATOM 1079 CD GLU A 70 11.509 -7.487 -10.002 1.00 0.00 C ATOM 1080 OE1 GLU A 70 12.362 -7.178 -10.847 1.00 0.00 O ATOM 1081 OE2 GLU A 70 11.748 -8.128 -8.908 1.00 0.00 O ATOM 0 H GLU A 70 8.772 -9.239 -12.915 1.00 0.00 H new ATOM 0 HA GLU A 70 7.731 -7.578 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.234 -8.045 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.891 -6.328 -12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.881 -6.075 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.403 -7.736 -9.605 1.00 0.00 H new ATOM 1089 N CYS A 71 6.624 -5.696 -11.931 1.00 0.00 N ATOM 1090 CA CYS A 71 5.882 -4.616 -12.562 1.00 0.00 C ATOM 1091 C CYS A 71 6.687 -3.325 -12.402 1.00 0.00 C ATOM 1092 O CYS A 71 7.611 -3.260 -11.594 1.00 0.00 O ATOM 1093 CB CYS A 71 4.473 -4.486 -11.982 1.00 0.00 C ATOM 1094 SG CYS A 71 4.557 -4.312 -10.163 1.00 0.00 S ATOM 0 H CYS A 71 6.452 -5.805 -10.931 1.00 0.00 H new ATOM 0 HA CYS A 71 5.749 -4.831 -13.622 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.971 -3.621 -12.415 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.881 -5.363 -12.245 1.00 0.00 H new ATOM 0 HG CYS A 71 3.551 -3.601 -9.748 1.00 0.00 H new ATOM 1100 N GLU A 72 6.306 -2.328 -13.188 1.00 0.00 N ATOM 1101 CA GLU A 72 6.980 -1.042 -13.144 1.00 0.00 C ATOM 1102 C GLU A 72 6.005 0.055 -12.708 1.00 0.00 C ATOM 1103 O GLU A 72 4.985 0.277 -13.358 1.00 0.00 O ATOM 1104 CB GLU A 72 7.610 -0.707 -14.498 1.00 0.00 C ATOM 1105 CG GLU A 72 6.572 -0.778 -15.619 1.00 0.00 C ATOM 1106 CD GLU A 72 7.186 -0.378 -16.962 1.00 0.00 C ATOM 1107 OE1 GLU A 72 8.386 -0.596 -17.183 1.00 0.00 O ATOM 1108 OE2 GLU A 72 6.370 0.177 -17.792 1.00 0.00 O ATOM 0 H GLU A 72 5.539 -2.385 -13.858 1.00 0.00 H new ATOM 0 HA GLU A 72 7.783 -1.100 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.045 0.292 -14.463 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.423 -1.402 -14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.172 -1.790 -15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.735 -0.119 -15.387 1.00 0.00 H new ATOM 1116 N LEU A 73 6.354 0.709 -11.610 1.00 0.00 N ATOM 1117 CA LEU A 73 5.522 1.776 -11.080 1.00 0.00 C ATOM 1118 C LEU A 73 6.417 2.888 -10.527 1.00 0.00 C ATOM 1119 O LEU A 73 7.475 2.614 -9.961 1.00 0.00 O ATOM 1120 CB LEU A 73 4.529 1.223 -10.056 1.00 0.00 C ATOM 1121 CG LEU A 73 5.132 0.428 -8.897 1.00 0.00 C ATOM 1122 CD1 LEU A 73 5.366 1.326 -7.681 1.00 0.00 C ATOM 1123 CD2 LEU A 73 4.266 -0.786 -8.555 1.00 0.00 C ATOM 0 H LEU A 73 7.201 0.521 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 73 4.917 2.216 -11.873 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.962 2.057 -9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.818 0.583 -10.578 1.00 0.00 H new ATOM 0 HG LEU A 73 6.105 0.050 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.795 0.737 -6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.052 2.129 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.417 1.753 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.718 -1.334 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.269 -0.452 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.194 -1.438 -9.425 1.00 0.00 H new ATOM 1135 N GLU A 74 5.961 4.117 -10.712 1.00 0.00 N ATOM 1136 CA GLU A 74 6.708 5.271 -10.239 1.00 0.00 C ATOM 1137 C GLU A 74 6.277 5.635 -8.816 1.00 0.00 C ATOM 1138 O GLU A 74 5.136 6.036 -8.593 1.00 0.00 O ATOM 1139 CB GLU A 74 6.535 6.461 -11.185 1.00 0.00 C ATOM 1140 CG GLU A 74 7.236 6.205 -12.521 1.00 0.00 C ATOM 1141 CD GLU A 74 7.418 7.508 -13.303 1.00 0.00 C ATOM 1142 OE1 GLU A 74 7.943 8.490 -12.759 1.00 0.00 O ATOM 1143 OE2 GLU A 74 6.989 7.477 -14.519 1.00 0.00 O ATOM 0 H GLU A 74 5.084 4.340 -11.183 1.00 0.00 H new ATOM 0 HA GLU A 74 7.767 5.013 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.474 6.643 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.942 7.360 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.208 5.744 -12.344 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.652 5.500 -13.113 1.00 0.00 H new ATOM 1151 N THR A 75 7.214 5.482 -7.892 1.00 0.00 N ATOM 1152 CA THR A 75 6.946 5.790 -6.497 1.00 0.00 C ATOM 1153 C THR A 75 6.416 7.218 -6.358 1.00 0.00 C ATOM 1154 O THR A 75 6.214 7.909 -7.356 1.00 0.00 O ATOM 1155 CB THR A 75 8.229 5.538 -5.703 1.00 0.00 C ATOM 1156 OG1 THR A 75 9.139 6.518 -6.194 1.00 0.00 O ATOM 1157 CG2 THR A 75 8.887 4.205 -6.060 1.00 0.00 C ATOM 0 H THR A 75 8.159 5.149 -8.082 1.00 0.00 H new ATOM 0 HA THR A 75 6.164 5.147 -6.093 1.00 0.00 H new ATOM 0 HB THR A 75 8.005 5.557 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.455 6.254 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.793 4.076 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.196 3.390 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.142 4.197 -7.120 1.00 0.00 H new ATOM 1165 N MET A 76 6.204 7.618 -5.113 1.00 0.00 N ATOM 1166 CA MET A 76 5.700 8.951 -4.831 1.00 0.00 C ATOM 1167 C MET A 76 6.846 9.960 -4.729 1.00 0.00 C ATOM 1168 O MET A 76 6.613 11.154 -4.546 1.00 0.00 O ATOM 1169 CB MET A 76 4.916 8.934 -3.518 1.00 0.00 C ATOM 1170 CG MET A 76 5.830 8.595 -2.338 1.00 0.00 C ATOM 1171 SD MET A 76 6.021 10.021 -1.283 1.00 0.00 S ATOM 1172 CE MET A 76 5.278 9.399 0.216 1.00 0.00 C ATOM 0 H MET A 76 6.372 7.042 -4.288 1.00 0.00 H new ATOM 0 HA MET A 76 5.047 9.253 -5.650 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.451 9.906 -3.355 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.110 8.202 -3.581 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.410 7.765 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.804 8.270 -2.704 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.314 10.169 0.986 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.240 9.127 0.022 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.826 8.520 0.556 1.00 0.00 H new ATOM 1182 N THR A 77 8.060 9.443 -4.851 1.00 0.00 N ATOM 1183 CA THR A 77 9.242 10.283 -4.775 1.00 0.00 C ATOM 1184 C THR A 77 9.735 10.640 -6.179 1.00 0.00 C ATOM 1185 O THR A 77 10.781 11.269 -6.333 1.00 0.00 O ATOM 1186 CB THR A 77 10.290 9.551 -3.932 1.00 0.00 C ATOM 1187 OG1 THR A 77 9.556 9.069 -2.809 1.00 0.00 O ATOM 1188 CG2 THR A 77 11.321 10.503 -3.324 1.00 0.00 C ATOM 0 H THR A 77 8.250 8.452 -5.002 1.00 0.00 H new ATOM 0 HA THR A 77 9.020 11.234 -4.291 1.00 0.00 H new ATOM 0 HB THR A 77 10.800 8.811 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.158 8.580 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.041 9.933 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.842 11.032 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.816 11.223 -2.680 1.00 0.00 H new ATOM 1196 N GLY A 78 8.957 10.224 -7.168 1.00 0.00 N ATOM 1197 CA GLY A 78 9.300 10.492 -8.553 1.00 0.00 C ATOM 1198 C GLY A 78 10.421 9.566 -9.030 1.00 0.00 C ATOM 1199 O GLY A 78 11.424 10.028 -9.572 1.00 0.00 O ATOM 0 H GLY A 78 8.090 9.703 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.420 10.357 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.612 11.531 -8.660 1.00 0.00 H new ATOM 1203 N GLU A 79 10.212 8.276 -8.811 1.00 0.00 N ATOM 1204 CA GLU A 79 11.193 7.281 -9.211 1.00 0.00 C ATOM 1205 C GLU A 79 10.492 5.994 -9.653 1.00 0.00 C ATOM 1206 O GLU A 79 9.491 5.593 -9.062 1.00 0.00 O ATOM 1207 CB GLU A 79 12.185 7.004 -8.081 1.00 0.00 C ATOM 1208 CG GLU A 79 13.451 7.849 -8.243 1.00 0.00 C ATOM 1209 CD GLU A 79 14.693 6.961 -8.351 1.00 0.00 C ATOM 1210 OE1 GLU A 79 15.313 6.637 -7.327 1.00 0.00 O ATOM 1211 OE2 GLU A 79 15.006 6.604 -9.550 1.00 0.00 O ATOM 0 H GLU A 79 9.378 7.897 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 79 11.757 7.674 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.718 7.223 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.448 5.946 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.366 8.471 -9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.554 8.523 -7.392 1.00 0.00 H new ATOM 1219 N LYS A 80 11.048 5.382 -10.689 1.00 0.00 N ATOM 1220 CA LYS A 80 10.489 4.150 -11.217 1.00 0.00 C ATOM 1221 C LYS A 80 11.255 2.958 -10.638 1.00 0.00 C ATOM 1222 O LYS A 80 12.449 2.802 -10.889 1.00 0.00 O ATOM 1223 CB LYS A 80 10.469 4.182 -12.747 1.00 0.00 C ATOM 1224 CG LYS A 80 11.889 4.127 -13.315 1.00 0.00 C ATOM 1225 CD LYS A 80 12.037 5.067 -14.513 1.00 0.00 C ATOM 1226 CE LYS A 80 13.467 5.599 -14.618 1.00 0.00 C ATOM 1227 NZ LYS A 80 14.045 5.276 -15.941 1.00 0.00 N ATOM 0 H LYS A 80 11.879 5.717 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 80 9.449 4.042 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.890 3.339 -13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.972 5.090 -13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.605 4.403 -12.541 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.124 3.107 -13.618 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.773 4.539 -15.429 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.341 5.900 -14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.472 6.678 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.082 5.164 -13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.016 5.645 -15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.058 4.244 -16.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.467 5.712 -16.688 1.00 0.00 H new ATOM 1240 N VAL A 81 10.537 2.149 -9.873 1.00 0.00 N ATOM 1241 CA VAL A 81 11.134 0.977 -9.256 1.00 0.00 C ATOM 1242 C VAL A 81 10.390 -0.275 -9.725 1.00 0.00 C ATOM 1243 O VAL A 81 9.182 -0.234 -9.956 1.00 0.00 O ATOM 1244 CB VAL A 81 11.141 1.133 -7.734 1.00 0.00 C ATOM 1245 CG1 VAL A 81 12.116 2.229 -7.300 1.00 0.00 C ATOM 1246 CG2 VAL A 81 9.733 1.412 -7.205 1.00 0.00 C ATOM 0 H VAL A 81 9.547 2.282 -9.666 1.00 0.00 H new ATOM 0 HA VAL A 81 12.174 0.872 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 81 11.481 0.192 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.102 2.319 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.123 1.972 -7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.819 3.178 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.766 1.519 -6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.353 2.332 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.075 0.584 -7.468 1.00 0.00 H new ATOM 1256 N LYS A 82 11.142 -1.359 -9.850 1.00 0.00 N ATOM 1257 CA LYS A 82 10.569 -2.621 -10.287 1.00 0.00 C ATOM 1258 C LYS A 82 10.337 -3.519 -9.070 1.00 0.00 C ATOM 1259 O LYS A 82 11.290 -3.993 -8.453 1.00 0.00 O ATOM 1260 CB LYS A 82 11.445 -3.262 -11.366 1.00 0.00 C ATOM 1261 CG LYS A 82 10.766 -3.192 -12.735 1.00 0.00 C ATOM 1262 CD LYS A 82 11.278 -1.996 -13.541 1.00 0.00 C ATOM 1263 CE LYS A 82 12.264 -2.446 -14.622 1.00 0.00 C ATOM 1264 NZ LYS A 82 13.602 -2.683 -14.036 1.00 0.00 N ATOM 0 H LYS A 82 12.143 -1.389 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 82 9.597 -2.457 -10.753 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.408 -2.753 -11.407 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.644 -4.302 -11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.954 -4.114 -13.286 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.687 -3.113 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.438 -1.477 -14.003 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.764 -1.284 -12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.901 -3.358 -15.096 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.331 -1.686 -15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.259 -2.988 -14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.952 -1.804 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.536 -3.424 -13.309 1.00 0.00 H new ATOM 1277 N THR A 83 9.065 -3.726 -8.761 1.00 0.00 N ATOM 1278 CA THR A 83 8.695 -4.559 -7.630 1.00 0.00 C ATOM 1279 C THR A 83 8.160 -5.908 -8.113 1.00 0.00 C ATOM 1280 O THR A 83 7.661 -6.018 -9.232 1.00 0.00 O ATOM 1281 CB THR A 83 7.693 -3.778 -6.776 1.00 0.00 C ATOM 1282 OG1 THR A 83 6.987 -4.787 -6.060 1.00 0.00 O ATOM 1283 CG2 THR A 83 6.613 -3.095 -7.618 1.00 0.00 C ATOM 0 H THR A 83 8.278 -3.331 -9.275 1.00 0.00 H new ATOM 0 HA THR A 83 9.561 -4.792 -7.010 1.00 0.00 H new ATOM 0 HB THR A 83 8.224 -3.029 -6.188 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.493 -4.378 -5.319 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.929 -2.555 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.080 -2.395 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.060 -3.847 -8.180 1.00 0.00 H new ATOM 1291 N VAL A 84 8.282 -6.901 -7.245 1.00 0.00 N ATOM 1292 CA VAL A 84 7.817 -8.240 -7.569 1.00 0.00 C ATOM 1293 C VAL A 84 6.718 -8.645 -6.586 1.00 0.00 C ATOM 1294 O VAL A 84 6.796 -8.332 -5.398 1.00 0.00 O ATOM 1295 CB VAL A 84 8.997 -9.214 -7.582 1.00 0.00 C ATOM 1296 CG1 VAL A 84 9.234 -9.808 -6.192 1.00 0.00 C ATOM 1297 CG2 VAL A 84 8.784 -10.318 -8.620 1.00 0.00 C ATOM 0 H VAL A 84 8.696 -6.806 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 84 7.383 -8.263 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 84 9.889 -8.655 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.078 -10.497 -6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.451 -9.006 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.342 -10.345 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.637 -10.997 -8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.876 -10.872 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.687 -9.873 -9.610 1.00 0.00 H new ATOM 1307 N VAL A 85 5.719 -9.335 -7.115 1.00 0.00 N ATOM 1308 CA VAL A 85 4.605 -9.788 -6.299 1.00 0.00 C ATOM 1309 C VAL A 85 4.515 -11.313 -6.367 1.00 0.00 C ATOM 1310 O VAL A 85 4.369 -11.882 -7.446 1.00 0.00 O ATOM 1311 CB VAL A 85 3.316 -9.092 -6.742 1.00 0.00 C ATOM 1312 CG1 VAL A 85 2.150 -9.461 -5.823 1.00 0.00 C ATOM 1313 CG2 VAL A 85 3.506 -7.575 -6.805 1.00 0.00 C ATOM 0 H VAL A 85 5.657 -9.592 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 85 4.762 -9.519 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 85 3.075 -9.441 -7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.246 -8.953 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.992 -10.539 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.380 -9.154 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.575 -7.105 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.783 -7.202 -5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.295 -7.336 -7.518 1.00 0.00 H new ATOM 1323 N GLN A 86 4.605 -11.931 -5.198 1.00 0.00 N ATOM 1324 CA GLN A 86 4.535 -13.380 -5.111 1.00 0.00 C ATOM 1325 C GLN A 86 3.355 -13.803 -4.233 1.00 0.00 C ATOM 1326 O GLN A 86 2.912 -13.042 -3.373 1.00 0.00 O ATOM 1327 CB GLN A 86 5.848 -13.962 -4.582 1.00 0.00 C ATOM 1328 CG GLN A 86 6.196 -15.269 -5.296 1.00 0.00 C ATOM 1329 CD GLN A 86 7.686 -15.587 -5.162 1.00 0.00 C ATOM 1330 OE1 GLN A 86 8.367 -15.127 -4.261 1.00 0.00 O ATOM 1331 NE2 GLN A 86 8.152 -16.398 -6.108 1.00 0.00 N ATOM 0 H GLN A 86 4.726 -11.455 -4.304 1.00 0.00 H new ATOM 0 HA GLN A 86 4.377 -13.777 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.653 -13.241 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.765 -14.140 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.607 -16.085 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.930 -15.194 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.526 -16.747 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.135 -16.671 -6.107 1.00 0.00 H new ATOM 1340 N LEU A 87 2.879 -15.013 -4.480 1.00 0.00 N ATOM 1341 CA LEU A 87 1.759 -15.547 -3.724 1.00 0.00 C ATOM 1342 C LEU A 87 2.282 -16.512 -2.658 1.00 0.00 C ATOM 1343 O LEU A 87 3.341 -17.115 -2.828 1.00 0.00 O ATOM 1344 CB LEU A 87 0.725 -16.170 -4.663 1.00 0.00 C ATOM 1345 CG LEU A 87 1.024 -17.592 -5.141 1.00 0.00 C ATOM 1346 CD1 LEU A 87 2.433 -17.687 -5.730 1.00 0.00 C ATOM 1347 CD2 LEU A 87 0.804 -18.606 -4.018 1.00 0.00 C ATOM 0 H LEU A 87 3.249 -15.640 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 87 1.237 -14.746 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.240 -16.174 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.624 -15.528 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 87 0.323 -17.838 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.620 -18.708 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.519 -17.008 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.164 -17.413 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.024 -19.609 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.464 -18.373 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.233 -18.561 -3.685 1.00 0.00 H new ATOM 1359 N GLU A 88 1.516 -16.627 -1.583 1.00 0.00 N ATOM 1360 CA GLU A 88 1.889 -17.509 -0.489 1.00 0.00 C ATOM 1361 C GLU A 88 0.639 -18.106 0.162 1.00 0.00 C ATOM 1362 O GLU A 88 -0.406 -17.459 0.214 1.00 0.00 O ATOM 1363 CB GLU A 88 2.746 -16.771 0.542 1.00 0.00 C ATOM 1364 CG GLU A 88 3.975 -17.597 0.925 1.00 0.00 C ATOM 1365 CD GLU A 88 5.081 -17.453 -0.122 1.00 0.00 C ATOM 1366 OE1 GLU A 88 5.987 -16.622 0.044 1.00 0.00 O ATOM 1367 OE2 GLU A 88 4.979 -18.244 -1.135 1.00 0.00 O ATOM 0 H GLU A 88 0.639 -16.124 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 88 2.488 -18.325 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.061 -15.810 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.152 -16.562 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.346 -17.274 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.696 -18.646 1.023 1.00 0.00 H new ATOM 1375 N GLY A 89 0.789 -19.332 0.641 1.00 0.00 N ATOM 1376 CA GLY A 89 -0.314 -20.023 1.286 1.00 0.00 C ATOM 1377 C GLY A 89 -1.505 -20.161 0.336 1.00 0.00 C ATOM 1378 O GLY A 89 -1.663 -21.188 -0.322 1.00 0.00 O ATOM 0 H GLY A 89 1.658 -19.865 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.012 -21.011 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.618 -19.477 2.179 1.00 0.00 H new ATOM 1382 N ASP A 90 -2.312 -19.111 0.294 1.00 0.00 N ATOM 1383 CA ASP A 90 -3.485 -19.103 -0.565 1.00 0.00 C ATOM 1384 C ASP A 90 -4.071 -17.690 -0.607 1.00 0.00 C ATOM 1385 O ASP A 90 -4.468 -17.211 -1.668 1.00 0.00 O ATOM 1386 CB ASP A 90 -4.564 -20.047 -0.033 1.00 0.00 C ATOM 1387 CG ASP A 90 -5.249 -20.910 -1.094 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -5.381 -22.133 -0.935 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -5.662 -20.270 -2.135 1.00 0.00 O ATOM 0 H ASP A 90 -2.177 -18.260 0.840 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.178 -19.431 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.116 -20.703 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.323 -19.455 0.478 1.00 0.00 H new ATOM 1395 N ASN A 91 -4.106 -17.064 0.560 1.00 0.00 N ATOM 1396 CA ASN A 91 -4.636 -15.716 0.669 1.00 0.00 C ATOM 1397 C ASN A 91 -3.561 -14.794 1.250 1.00 0.00 C ATOM 1398 O ASN A 91 -3.854 -13.944 2.089 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.847 -15.674 1.603 1.00 0.00 C ATOM 1400 CG ASN A 91 -5.554 -16.405 2.914 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -4.492 -16.279 3.501 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -6.552 -17.175 3.339 1.00 0.00 N ATOM 0 H ASN A 91 -3.776 -17.465 1.438 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.936 -15.391 -0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.114 -14.638 1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.706 -16.131 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.454 -17.705 4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.415 -17.235 2.799 1.00 0.00 H new ATOM 1409 N LYS A 92 -2.338 -14.995 0.781 1.00 0.00 N ATOM 1410 CA LYS A 92 -1.218 -14.194 1.242 1.00 0.00 C ATOM 1411 C LYS A 92 -0.353 -13.795 0.044 1.00 0.00 C ATOM 1412 O LYS A 92 0.017 -14.641 -0.768 1.00 0.00 O ATOM 1413 CB LYS A 92 -0.447 -14.932 2.339 1.00 0.00 C ATOM 1414 CG LYS A 92 0.831 -14.179 2.711 1.00 0.00 C ATOM 1415 CD LYS A 92 1.678 -14.989 3.695 1.00 0.00 C ATOM 1416 CE LYS A 92 3.056 -14.352 3.887 1.00 0.00 C ATOM 1417 NZ LYS A 92 3.911 -15.213 4.736 1.00 0.00 N ATOM 0 H LYS A 92 -2.099 -15.702 0.086 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.573 -13.271 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.078 -15.042 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.196 -15.937 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.411 -13.972 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.575 -13.216 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.166 -15.052 4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.793 -16.009 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.531 -14.200 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.948 -13.370 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.842 -14.766 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.463 -15.337 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.028 -16.141 4.282 1.00 0.00 H new ATOM 1430 N LEU A 93 -0.057 -12.505 -0.028 1.00 0.00 N ATOM 1431 CA LEU A 93 0.757 -11.985 -1.113 1.00 0.00 C ATOM 1432 C LEU A 93 2.078 -11.460 -0.547 1.00 0.00 C ATOM 1433 O LEU A 93 2.088 -10.748 0.456 1.00 0.00 O ATOM 1434 CB LEU A 93 -0.025 -10.943 -1.917 1.00 0.00 C ATOM 1435 CG LEU A 93 -1.088 -11.492 -2.871 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -2.411 -10.741 -2.707 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -0.590 -11.469 -4.317 1.00 0.00 C ATOM 0 H LEU A 93 -0.366 -11.806 0.647 1.00 0.00 H new ATOM 0 HA LEU A 93 1.005 -12.778 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.510 -10.262 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.685 -10.353 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.276 -12.534 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.150 -11.150 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.769 -10.853 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.259 -9.684 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.364 -11.864 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.357 -10.444 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.307 -12.082 -4.403 1.00 0.00 H new ATOM 1449 N VAL A 94 3.160 -11.832 -1.215 1.00 0.00 N ATOM 1450 CA VAL A 94 4.483 -11.407 -0.791 1.00 0.00 C ATOM 1451 C VAL A 94 5.128 -10.576 -1.903 1.00 0.00 C ATOM 1452 O VAL A 94 5.371 -11.081 -2.999 1.00 0.00 O ATOM 1453 CB VAL A 94 5.320 -12.625 -0.393 1.00 0.00 C ATOM 1454 CG1 VAL A 94 6.613 -12.196 0.304 1.00 0.00 C ATOM 1455 CG2 VAL A 94 4.513 -13.580 0.488 1.00 0.00 C ATOM 0 H VAL A 94 3.147 -12.423 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 94 4.416 -10.772 0.092 1.00 0.00 H new ATOM 0 HB VAL A 94 5.591 -13.159 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.190 -13.080 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.201 -11.573 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.371 -11.629 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.131 -14.437 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.198 -13.061 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.634 -13.923 -0.058 1.00 0.00 H new ATOM 1465 N THR A 95 5.387 -9.318 -1.582 1.00 0.00 N ATOM 1466 CA THR A 95 6.000 -8.413 -2.541 1.00 0.00 C ATOM 1467 C THR A 95 7.129 -7.620 -1.879 1.00 0.00 C ATOM 1468 O THR A 95 7.062 -7.312 -0.690 1.00 0.00 O ATOM 1469 CB THR A 95 4.897 -7.526 -3.125 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.485 -6.230 -3.177 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.713 -7.360 -2.171 1.00 0.00 C ATOM 0 H THR A 95 5.184 -8.903 -0.673 1.00 0.00 H new ATOM 0 HA THR A 95 6.466 -8.961 -3.360 1.00 0.00 H new ATOM 0 HB THR A 95 4.548 -7.953 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.839 -5.592 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.960 -6.722 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.279 -8.337 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.055 -6.902 -1.243 1.00 0.00 H new ATOM 1479 N THR A 96 8.141 -7.315 -2.679 1.00 0.00 N ATOM 1480 CA THR A 96 9.284 -6.565 -2.186 1.00 0.00 C ATOM 1481 C THR A 96 9.535 -5.338 -3.064 1.00 0.00 C ATOM 1482 O THR A 96 9.078 -5.282 -4.205 1.00 0.00 O ATOM 1483 CB THR A 96 10.479 -7.517 -2.115 1.00 0.00 C ATOM 1484 OG1 THR A 96 9.918 -8.748 -1.668 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.467 -7.135 -1.011 1.00 0.00 C ATOM 0 H THR A 96 8.193 -7.574 -3.664 1.00 0.00 H new ATOM 0 HA THR A 96 9.100 -6.176 -1.184 1.00 0.00 H new ATOM 0 HB THR A 96 10.993 -7.525 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.625 -9.423 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.296 -7.843 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.849 -6.131 -1.196 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.961 -7.159 -0.046 1.00 0.00 H new ATOM 1493 N PHE A 97 10.260 -4.384 -2.499 1.00 0.00 N ATOM 1494 CA PHE A 97 10.578 -3.162 -3.216 1.00 0.00 C ATOM 1495 C PHE A 97 12.000 -2.694 -2.901 1.00 0.00 C ATOM 1496 O PHE A 97 12.340 -2.465 -1.740 1.00 0.00 O ATOM 1497 CB PHE A 97 9.588 -2.094 -2.744 1.00 0.00 C ATOM 1498 CG PHE A 97 8.393 -1.897 -3.679 1.00 0.00 C ATOM 1499 CD1 PHE A 97 8.499 -1.065 -4.750 1.00 0.00 C ATOM 1500 CD2 PHE A 97 7.226 -2.553 -3.440 1.00 0.00 C ATOM 1501 CE1 PHE A 97 7.391 -0.881 -5.618 1.00 0.00 C ATOM 1502 CE2 PHE A 97 6.117 -2.369 -4.309 1.00 0.00 C ATOM 1503 CZ PHE A 97 6.223 -1.537 -5.379 1.00 0.00 C ATOM 0 H PHE A 97 10.636 -4.433 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 97 10.510 -3.335 -4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.221 -2.365 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 97 10.115 -1.146 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 97 9.426 -0.545 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 97 7.142 -3.214 -2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.475 -0.220 -6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 97 5.190 -2.890 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.380 -1.397 -6.039 1.00 0.00 H new ATOM 1513 N LYS A 98 12.794 -2.566 -3.954 1.00 0.00 N ATOM 1514 CA LYS A 98 14.173 -2.130 -3.803 1.00 0.00 C ATOM 1515 C LYS A 98 14.805 -2.855 -2.614 1.00 0.00 C ATOM 1516 O LYS A 98 14.692 -4.074 -2.493 1.00 0.00 O ATOM 1517 CB LYS A 98 14.244 -0.605 -3.704 1.00 0.00 C ATOM 1518 CG LYS A 98 13.428 -0.095 -2.514 1.00 0.00 C ATOM 1519 CD LYS A 98 13.751 1.371 -2.216 1.00 0.00 C ATOM 1520 CE LYS A 98 12.987 2.303 -3.159 1.00 0.00 C ATOM 1521 NZ LYS A 98 11.616 2.538 -2.655 1.00 0.00 N ATOM 0 H LYS A 98 12.509 -2.756 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 98 14.756 -2.396 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.283 -0.292 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.869 -0.159 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.364 -0.201 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.640 -0.704 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.492 1.601 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.823 1.540 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.516 3.252 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.944 1.866 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.111 3.172 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.109 1.632 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.663 2.975 -1.713 1.00 0.00 H new ATOM 1534 N ASN A 99 15.457 -2.074 -1.765 1.00 0.00 N ATOM 1535 CA ASN A 99 16.108 -2.627 -0.590 1.00 0.00 C ATOM 1536 C ASN A 99 15.124 -2.623 0.582 1.00 0.00 C ATOM 1537 O ASN A 99 15.530 -2.732 1.738 1.00 0.00 O ATOM 1538 CB ASN A 99 17.324 -1.789 -0.189 1.00 0.00 C ATOM 1539 CG ASN A 99 18.624 -2.555 -0.436 1.00 0.00 C ATOM 1540 OD1 ASN A 99 18.629 -3.717 -0.809 1.00 0.00 O ATOM 1541 ND2 ASN A 99 19.724 -1.843 -0.209 1.00 0.00 N ATOM 0 H ASN A 99 15.548 -1.063 -1.868 1.00 0.00 H new ATOM 0 HA ASN A 99 16.431 -3.640 -0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 99 17.332 -0.859 -0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 99 17.252 -1.518 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 99 20.642 -2.265 -0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 99 19.649 -0.874 0.102 1.00 0.00 H new ATOM 1548 N ILE A 100 13.850 -2.495 0.242 1.00 0.00 N ATOM 1549 CA ILE A 100 12.805 -2.476 1.251 1.00 0.00 C ATOM 1550 C ILE A 100 12.109 -3.838 1.285 1.00 0.00 C ATOM 1551 O ILE A 100 11.761 -4.387 0.242 1.00 0.00 O ATOM 1552 CB ILE A 100 11.850 -1.305 1.012 1.00 0.00 C ATOM 1553 CG1 ILE A 100 12.604 0.027 1.023 1.00 0.00 C ATOM 1554 CG2 ILE A 100 10.700 -1.319 2.020 1.00 0.00 C ATOM 1555 CD1 ILE A 100 11.635 1.207 0.916 1.00 0.00 C ATOM 0 H ILE A 100 13.518 -2.403 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 100 13.234 -2.312 2.239 1.00 0.00 H new ATOM 0 HB ILE A 100 11.410 -1.420 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 100 13.186 0.112 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.311 0.056 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.037 -0.476 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.142 -2.250 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.101 -1.241 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 100 12.197 2.141 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.072 1.132 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.945 1.189 1.760 1.00 0.00 H new ATOM 1567 N LYS A 101 11.928 -4.345 2.497 1.00 0.00 N ATOM 1568 CA LYS A 101 11.281 -5.632 2.680 1.00 0.00 C ATOM 1569 C LYS A 101 9.830 -5.412 3.114 1.00 0.00 C ATOM 1570 O LYS A 101 9.575 -4.818 4.161 1.00 0.00 O ATOM 1571 CB LYS A 101 12.086 -6.504 3.647 1.00 0.00 C ATOM 1572 CG LYS A 101 12.277 -5.798 4.991 1.00 0.00 C ATOM 1573 CD LYS A 101 12.096 -6.776 6.154 1.00 0.00 C ATOM 1574 CE LYS A 101 12.030 -6.033 7.490 1.00 0.00 C ATOM 1575 NZ LYS A 101 13.299 -6.190 8.235 1.00 0.00 N ATOM 0 H LYS A 101 12.219 -3.887 3.361 1.00 0.00 H new ATOM 0 HA LYS A 101 11.253 -6.181 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.572 -7.453 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.058 -6.734 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.272 -5.355 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.560 -4.982 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.183 -7.353 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.923 -7.486 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.833 -4.975 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.202 -6.417 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.236 -5.679 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.471 -7.199 8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.082 -5.802 7.672 1.00 0.00 H new ATOM 1588 N SER A 102 8.918 -5.900 2.286 1.00 0.00 N ATOM 1589 CA SER A 102 7.500 -5.764 2.571 1.00 0.00 C ATOM 1590 C SER A 102 6.848 -7.146 2.664 1.00 0.00 C ATOM 1591 O SER A 102 7.340 -8.107 2.075 1.00 0.00 O ATOM 1592 CB SER A 102 6.802 -4.920 1.502 1.00 0.00 C ATOM 1593 OG SER A 102 5.395 -5.141 1.482 1.00 0.00 O ATOM 0 H SER A 102 9.134 -6.390 1.418 1.00 0.00 H new ATOM 0 HA SER A 102 7.392 -5.253 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.001 -3.864 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.220 -5.156 0.523 1.00 0.00 H new ATOM 0 HG SER A 102 4.986 -4.583 0.788 1.00 0.00 H new ATOM 1599 N VAL A 103 5.754 -7.201 3.408 1.00 0.00 N ATOM 1600 CA VAL A 103 5.032 -8.448 3.586 1.00 0.00 C ATOM 1601 C VAL A 103 3.528 -8.166 3.593 1.00 0.00 C ATOM 1602 O VAL A 103 3.040 -7.402 4.424 1.00 0.00 O ATOM 1603 CB VAL A 103 5.513 -9.156 4.855 1.00 0.00 C ATOM 1604 CG1 VAL A 103 4.513 -10.226 5.298 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.906 -9.756 4.653 1.00 0.00 C ATOM 0 H VAL A 103 5.350 -6.401 3.895 1.00 0.00 H new ATOM 0 HA VAL A 103 5.232 -9.126 2.756 1.00 0.00 H new ATOM 0 HB VAL A 103 5.581 -8.412 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.879 -10.714 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.549 -9.761 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.398 -10.967 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.224 -10.253 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.876 -10.480 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.612 -8.963 4.407 1.00 0.00 H new ATOM 1615 N THR A 104 2.835 -8.796 2.656 1.00 0.00 N ATOM 1616 CA THR A 104 1.397 -8.622 2.544 1.00 0.00 C ATOM 1617 C THR A 104 0.669 -9.878 3.027 1.00 0.00 C ATOM 1618 O THR A 104 1.093 -10.996 2.740 1.00 0.00 O ATOM 1619 CB THR A 104 1.077 -8.253 1.094 1.00 0.00 C ATOM 1620 OG1 THR A 104 2.328 -7.827 0.560 1.00 0.00 O ATOM 1621 CG2 THR A 104 0.185 -7.015 0.988 1.00 0.00 C ATOM 0 H THR A 104 3.243 -9.428 1.967 1.00 0.00 H new ATOM 0 HA THR A 104 1.045 -7.814 3.185 1.00 0.00 H new ATOM 0 HB THR A 104 0.588 -9.095 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.810 -8.600 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.011 -6.797 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.758 -7.201 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.688 -6.164 1.447 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.417 -9.652 3.752 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.209 -10.751 4.277 1.00 0.00 C ATOM 1631 C GLU A 105 -2.696 -10.391 4.256 1.00 0.00 C ATOM 1632 O GLU A 105 -3.075 -9.282 4.629 1.00 0.00 O ATOM 1633 CB GLU A 105 -0.755 -11.128 5.689 1.00 0.00 C ATOM 1634 CG GLU A 105 -1.273 -12.514 6.079 1.00 0.00 C ATOM 1635 CD GLU A 105 -1.378 -12.652 7.598 1.00 0.00 C ATOM 1636 OE1 GLU A 105 -1.974 -11.789 8.260 1.00 0.00 O ATOM 1637 OE2 GLU A 105 -0.812 -13.702 8.091 1.00 0.00 O ATOM 0 H GLU A 105 -0.767 -8.723 3.988 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.057 -11.621 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.334 -11.115 5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.117 -10.387 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.250 -12.681 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.604 -13.280 5.686 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.498 -11.350 3.817 1.00 0.00 N ATOM 1646 CA LEU A 106 -4.935 -11.148 3.743 1.00 0.00 C ATOM 1647 C LEU A 106 -5.622 -12.015 4.799 1.00 0.00 C ATOM 1648 O LEU A 106 -5.444 -13.232 4.820 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.438 -11.397 2.320 1.00 0.00 C ATOM 1650 CG LEU A 106 -6.110 -10.209 1.629 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -6.223 -10.444 0.121 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -7.468 -9.901 2.264 1.00 0.00 C ATOM 0 H LEU A 106 -3.180 -12.269 3.509 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.187 -10.112 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.595 -11.718 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.146 -12.225 2.346 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.481 -9.330 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.704 -9.585 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.227 -10.577 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.818 -11.338 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.924 -9.052 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.118 -10.771 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.330 -9.660 3.318 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.394 -11.355 5.651 1.00 0.00 N ATOM 1665 CA ASN A 107 -7.108 -12.051 6.707 1.00 0.00 C ATOM 1666 C ASN A 107 -8.551 -11.543 6.762 1.00 0.00 C ATOM 1667 O ASN A 107 -8.786 -10.358 6.991 1.00 0.00 O ATOM 1668 CB ASN A 107 -6.464 -11.793 8.071 1.00 0.00 C ATOM 1669 CG ASN A 107 -6.817 -12.904 9.063 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -6.631 -14.082 8.806 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -7.334 -12.463 10.206 1.00 0.00 N ATOM 0 H ASN A 107 -6.540 -10.346 5.631 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.075 -13.118 6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.381 -11.730 7.960 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.801 -10.832 8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.602 -13.126 10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.462 -11.462 10.355 1.00 0.00 H new ATOM 1678 N GLY A 108 -9.478 -12.464 6.547 1.00 0.00 N ATOM 1679 CA GLY A 108 -10.891 -12.124 6.568 1.00 0.00 C ATOM 1680 C GLY A 108 -11.161 -10.857 5.755 1.00 0.00 C ATOM 1681 O GLY A 108 -11.219 -10.903 4.528 1.00 0.00 O ATOM 0 H GLY A 108 -9.279 -13.446 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.474 -12.951 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.218 -11.977 7.597 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.320 -9.755 6.473 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.584 -8.477 5.833 1.00 0.00 C ATOM 1687 C ASP A 109 -10.577 -7.441 6.338 1.00 0.00 C ATOM 1688 O ASP A 109 -10.875 -6.249 6.380 1.00 0.00 O ATOM 1689 CB ASP A 109 -12.989 -7.972 6.170 1.00 0.00 C ATOM 1690 CG ASP A 109 -14.132 -8.821 5.611 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -14.963 -8.338 4.828 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -14.150 -10.045 6.017 1.00 0.00 O ATOM 0 H ASP A 109 -11.271 -9.720 7.491 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.499 -8.616 4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.090 -7.922 7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.094 -6.955 5.792 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.404 -7.935 6.707 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.350 -7.067 7.207 1.00 0.00 C ATOM 1700 C ILE A 110 -7.066 -7.325 6.418 1.00 0.00 C ATOM 1701 O ILE A 110 -6.819 -8.447 5.976 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.188 -7.238 8.719 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.527 -7.059 9.438 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -7.114 -6.295 9.264 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -9.437 -7.533 10.890 1.00 0.00 C ATOM 0 H ILE A 110 -9.160 -8.925 6.670 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.613 -6.020 7.054 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.852 -8.256 8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.821 -6.010 9.412 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.302 -7.620 8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -7.018 -6.436 10.341 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.160 -6.513 8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.397 -5.263 9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.402 -7.395 11.378 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.167 -8.589 10.912 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.678 -6.953 11.416 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.281 -6.269 6.265 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.028 -6.368 5.536 1.00 0.00 C ATOM 1719 C ILE A 111 -3.907 -5.747 6.372 1.00 0.00 C ATOM 1720 O ILE A 111 -4.048 -4.635 6.879 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.169 -5.751 4.143 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.088 -6.597 3.260 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -3.797 -5.533 3.499 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -6.749 -5.741 2.178 1.00 0.00 C ATOM 0 H ILE A 111 -6.488 -5.341 6.633 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.764 -7.413 5.372 1.00 0.00 H new ATOM 0 HB ILE A 111 -5.635 -4.771 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.514 -7.398 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.855 -7.069 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.925 -5.094 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.206 -4.861 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.282 -6.489 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.397 -6.367 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.341 -4.955 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.980 -5.290 1.551 1.00 0.00 H new ATOM 1736 N THR A 112 -2.818 -6.493 6.491 1.00 0.00 N ATOM 1737 CA THR A 112 -1.674 -6.030 7.257 1.00 0.00 C ATOM 1738 C THR A 112 -0.412 -6.042 6.392 1.00 0.00 C ATOM 1739 O THR A 112 0.001 -7.093 5.905 1.00 0.00 O ATOM 1740 CB THR A 112 -1.559 -6.901 8.510 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.584 -6.409 9.370 1.00 0.00 O ATOM 1742 CG2 THR A 112 -0.266 -6.645 9.285 1.00 0.00 C ATOM 0 H THR A 112 -2.704 -7.415 6.070 1.00 0.00 H new ATOM 0 HA THR A 112 -1.804 -4.995 7.573 1.00 0.00 H new ATOM 0 HB THR A 112 -1.609 -7.952 8.227 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.582 -6.919 10.207 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.235 -7.289 10.164 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.590 -6.862 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.230 -5.601 9.598 1.00 0.00 H new ATOM 1750 N ASN A 113 0.164 -4.860 6.226 1.00 0.00 N ATOM 1751 CA ASN A 113 1.370 -4.721 5.428 1.00 0.00 C ATOM 1752 C ASN A 113 2.417 -3.940 6.224 1.00 0.00 C ATOM 1753 O ASN A 113 2.099 -2.933 6.855 1.00 0.00 O ATOM 1754 CB ASN A 113 1.089 -3.952 4.135 1.00 0.00 C ATOM 1755 CG ASN A 113 0.847 -2.469 4.421 1.00 0.00 C ATOM 1756 OD1 ASN A 113 -0.033 -2.092 5.177 1.00 0.00 O ATOM 1757 ND2 ASN A 113 1.676 -1.651 3.778 1.00 0.00 N ATOM 0 H ASN A 113 -0.182 -3.990 6.631 1.00 0.00 H new ATOM 0 HA ASN A 113 1.729 -5.721 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.931 -4.062 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.218 -4.377 3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.596 -0.642 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.391 -2.033 3.159 1.00 0.00 H new ATOM 1764 N THR A 114 3.645 -4.435 6.170 1.00 0.00 N ATOM 1765 CA THR A 114 4.741 -3.797 6.879 1.00 0.00 C ATOM 1766 C THR A 114 5.582 -2.958 5.915 1.00 0.00 C ATOM 1767 O THR A 114 5.630 -3.241 4.719 1.00 0.00 O ATOM 1768 CB THR A 114 5.541 -4.888 7.594 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.566 -5.871 7.929 1.00 0.00 O ATOM 1770 CG2 THR A 114 6.084 -4.425 8.947 1.00 0.00 C ATOM 0 H THR A 114 3.905 -5.271 5.646 1.00 0.00 H new ATOM 0 HA THR A 114 4.373 -3.099 7.631 1.00 0.00 H new ATOM 0 HB THR A 114 6.369 -5.204 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.000 -6.616 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.643 -5.237 9.412 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.742 -3.568 8.801 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.254 -4.140 9.594 1.00 0.00 H new ATOM 1778 N MET A 115 6.227 -1.943 6.473 1.00 0.00 N ATOM 1779 CA MET A 115 7.064 -1.061 5.678 1.00 0.00 C ATOM 1780 C MET A 115 8.272 -0.578 6.484 1.00 0.00 C ATOM 1781 O MET A 115 8.115 -0.006 7.561 1.00 0.00 O ATOM 1782 CB MET A 115 6.243 0.144 5.218 1.00 0.00 C ATOM 1783 CG MET A 115 6.326 0.316 3.699 1.00 0.00 C ATOM 1784 SD MET A 115 5.078 1.466 3.146 1.00 0.00 S ATOM 1785 CE MET A 115 6.012 2.375 1.927 1.00 0.00 C ATOM 0 H MET A 115 6.186 -1.712 7.466 1.00 0.00 H new ATOM 0 HA MET A 115 7.426 -1.617 4.813 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.203 0.015 5.517 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.607 1.046 5.710 1.00 0.00 H new ATOM 0 HG2 MET A 115 7.315 0.678 3.419 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.188 -0.647 3.208 1.00 0.00 H new ATOM 0 HE1 MET A 115 5.378 3.140 1.479 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.870 2.848 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 115 6.360 1.692 1.152 1.00 0.00 H new ATOM 1795 N THR A 116 9.451 -0.829 5.931 1.00 0.00 N ATOM 1796 CA THR A 116 10.684 -0.427 6.585 1.00 0.00 C ATOM 1797 C THR A 116 11.461 0.552 5.702 1.00 0.00 C ATOM 1798 O THR A 116 11.914 0.189 4.618 1.00 0.00 O ATOM 1799 CB THR A 116 11.472 -1.693 6.928 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.451 -1.250 7.863 1.00 0.00 O ATOM 1801 CG2 THR A 116 12.292 -2.211 5.746 1.00 0.00 C ATOM 0 H THR A 116 9.577 -1.305 5.038 1.00 0.00 H new ATOM 0 HA THR A 116 10.483 0.109 7.512 1.00 0.00 H new ATOM 0 HB THR A 116 10.783 -2.470 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.006 -2.009 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.831 -3.110 6.044 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.626 -2.446 4.916 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.004 -1.447 5.435 1.00 0.00 H new ATOM 1809 N LEU A 117 11.592 1.773 6.199 1.00 0.00 N ATOM 1810 CA LEU A 117 12.307 2.806 5.469 1.00 0.00 C ATOM 1811 C LEU A 117 13.056 3.698 6.460 1.00 0.00 C ATOM 1812 O LEU A 117 12.440 4.449 7.215 1.00 0.00 O ATOM 1813 CB LEU A 117 11.352 3.572 4.552 1.00 0.00 C ATOM 1814 CG LEU A 117 11.911 4.844 3.913 1.00 0.00 C ATOM 1815 CD1 LEU A 117 13.031 4.516 2.924 1.00 0.00 C ATOM 1816 CD2 LEU A 117 10.797 5.668 3.264 1.00 0.00 C ATOM 0 H LEU A 117 11.215 2.070 7.099 1.00 0.00 H new ATOM 0 HA LEU A 117 13.054 2.361 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.028 2.901 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.464 3.838 5.126 1.00 0.00 H new ATOM 0 HG LEU A 117 12.348 5.457 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.410 5.439 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.839 4.004 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.643 3.871 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.222 6.567 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.309 5.075 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 117 10.065 5.950 4.021 1.00 0.00 H new ATOM 1828 N GLY A 118 14.376 3.588 6.424 1.00 0.00 N ATOM 1829 CA GLY A 118 15.217 4.377 7.310 1.00 0.00 C ATOM 1830 C GLY A 118 15.632 3.564 8.538 1.00 0.00 C ATOM 1831 O GLY A 118 16.822 3.366 8.783 1.00 0.00 O ATOM 0 H GLY A 118 14.884 2.965 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.105 4.711 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.680 5.272 7.626 1.00 0.00 H new ATOM 1835 N ASP A 119 14.629 3.115 9.279 1.00 0.00 N ATOM 1836 CA ASP A 119 14.875 2.330 10.476 1.00 0.00 C ATOM 1837 C ASP A 119 13.549 2.068 11.191 1.00 0.00 C ATOM 1838 O ASP A 119 13.352 1.002 11.772 1.00 0.00 O ATOM 1839 CB ASP A 119 15.796 3.074 11.445 1.00 0.00 C ATOM 1840 CG ASP A 119 16.781 2.190 12.209 1.00 0.00 C ATOM 1841 OD1 ASP A 119 17.182 1.117 11.732 1.00 0.00 O ATOM 1842 OD2 ASP A 119 17.146 2.646 13.360 1.00 0.00 O ATOM 0 H ASP A 119 13.644 3.280 9.073 1.00 0.00 H new ATOM 0 HA ASP A 119 15.349 1.396 10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.360 3.821 10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.181 3.613 12.165 1.00 0.00 H new ATOM 1848 N ILE A 120 12.671 3.059 11.125 1.00 0.00 N ATOM 1849 CA ILE A 120 11.369 2.950 11.759 1.00 0.00 C ATOM 1850 C ILE A 120 10.404 2.235 10.811 1.00 0.00 C ATOM 1851 O ILE A 120 10.168 2.694 9.696 1.00 0.00 O ATOM 1852 CB ILE A 120 10.877 4.325 12.214 1.00 0.00 C ATOM 1853 CG1 ILE A 120 11.812 4.920 13.268 1.00 0.00 C ATOM 1854 CG2 ILE A 120 9.429 4.255 12.704 1.00 0.00 C ATOM 1855 CD1 ILE A 120 11.911 6.439 13.119 1.00 0.00 C ATOM 0 H ILE A 120 12.837 3.942 10.641 1.00 0.00 H new ATOM 0 HA ILE A 120 11.436 2.346 12.664 1.00 0.00 H new ATOM 0 HB ILE A 120 10.893 4.996 11.355 1.00 0.00 H new ATOM 0 HG12 ILE A 120 11.447 4.672 14.265 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.803 4.476 13.172 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.104 5.246 13.022 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.788 3.905 11.895 1.00 0.00 H new ATOM 0 HG23 ILE A 120 9.362 3.565 13.545 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.582 6.836 13.881 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.299 6.683 12.130 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.922 6.882 13.240 1.00 0.00 H new ATOM 1867 N VAL A 121 9.872 1.119 11.291 1.00 0.00 N ATOM 1868 CA VAL A 121 8.938 0.336 10.500 1.00 0.00 C ATOM 1869 C VAL A 121 7.507 0.750 10.851 1.00 0.00 C ATOM 1870 O VAL A 121 7.139 0.791 12.024 1.00 0.00 O ATOM 1871 CB VAL A 121 9.197 -1.157 10.712 1.00 0.00 C ATOM 1872 CG1 VAL A 121 9.140 -1.518 12.197 1.00 0.00 C ATOM 1873 CG2 VAL A 121 8.213 -2.005 9.903 1.00 0.00 C ATOM 0 H VAL A 121 10.070 0.739 12.217 1.00 0.00 H new ATOM 0 HA VAL A 121 9.081 0.530 9.437 1.00 0.00 H new ATOM 0 HB VAL A 121 10.202 -1.377 10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.327 -2.585 12.320 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.898 -0.952 12.738 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.154 -1.275 12.593 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.419 -3.062 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.194 -1.779 10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.324 -1.779 8.843 1.00 0.00 H new ATOM 1883 N PHE A 122 6.739 1.044 9.813 1.00 0.00 N ATOM 1884 CA PHE A 122 5.357 1.454 9.996 1.00 0.00 C ATOM 1885 C PHE A 122 4.396 0.329 9.604 1.00 0.00 C ATOM 1886 O PHE A 122 4.659 -0.416 8.661 1.00 0.00 O ATOM 1887 CB PHE A 122 5.120 2.654 9.078 1.00 0.00 C ATOM 1888 CG PHE A 122 3.650 2.887 8.725 1.00 0.00 C ATOM 1889 CD1 PHE A 122 2.863 3.631 9.548 1.00 0.00 C ATOM 1890 CD2 PHE A 122 3.131 2.351 7.588 1.00 0.00 C ATOM 1891 CE1 PHE A 122 1.498 3.848 9.220 1.00 0.00 C ATOM 1892 CE2 PHE A 122 1.765 2.567 7.261 1.00 0.00 C ATOM 1893 CZ PHE A 122 0.978 3.311 8.084 1.00 0.00 C ATOM 0 H PHE A 122 7.047 1.007 8.841 1.00 0.00 H new ATOM 0 HA PHE A 122 5.178 1.702 11.042 1.00 0.00 H new ATOM 0 HB2 PHE A 122 5.514 3.549 9.559 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.686 2.511 8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 122 3.276 4.057 10.451 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.757 1.762 6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.873 4.439 9.873 1.00 0.00 H new ATOM 0 HE2 PHE A 122 1.352 2.140 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.060 3.475 7.835 1.00 0.00 H new ATOM 1903 N LYS A 123 3.302 0.244 10.347 1.00 0.00 N ATOM 1904 CA LYS A 123 2.300 -0.776 10.088 1.00 0.00 C ATOM 1905 C LYS A 123 0.960 -0.104 9.784 1.00 0.00 C ATOM 1906 O LYS A 123 0.676 0.980 10.291 1.00 0.00 O ATOM 1907 CB LYS A 123 2.239 -1.773 11.248 1.00 0.00 C ATOM 1908 CG LYS A 123 2.368 -3.211 10.741 1.00 0.00 C ATOM 1909 CD LYS A 123 2.532 -4.189 11.906 1.00 0.00 C ATOM 1910 CE LYS A 123 2.299 -5.630 11.449 1.00 0.00 C ATOM 1911 NZ LYS A 123 1.460 -6.356 12.430 1.00 0.00 N ATOM 0 H LYS A 123 3.088 0.864 11.128 1.00 0.00 H new ATOM 0 HA LYS A 123 2.570 -1.361 9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 123 3.039 -1.560 11.958 1.00 0.00 H new ATOM 0 HB3 LYS A 123 1.297 -1.656 11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 123 1.485 -3.476 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 123 3.225 -3.289 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 123 3.533 -4.095 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.828 -3.937 12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.814 -5.634 10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.255 -6.140 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.312 -7.333 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.938 -6.368 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.541 -5.878 12.522 1.00 0.00 H new ATOM 1924 N ARG A 124 0.171 -0.775 8.958 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.132 -0.256 8.580 1.00 0.00 C ATOM 1926 C ARG A 124 -2.180 -1.371 8.621 1.00 0.00 C ATOM 1927 O ARG A 124 -1.968 -2.447 8.064 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.098 0.352 7.176 1.00 0.00 C ATOM 1929 CG ARG A 124 -2.103 1.498 7.050 1.00 0.00 C ATOM 1930 CD ARG A 124 -3.303 1.083 6.197 1.00 0.00 C ATOM 1931 NE ARG A 124 -3.156 1.616 4.824 1.00 0.00 N ATOM 1932 CZ ARG A 124 -3.922 1.236 3.778 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -4.896 0.316 3.942 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -3.704 1.778 2.595 1.00 0.00 N ATOM 0 H ARG A 124 0.409 -1.674 8.540 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.398 0.524 9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -0.095 0.718 6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.324 -0.417 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -2.443 1.799 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -1.617 2.365 6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.380 -0.004 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.224 1.456 6.644 1.00 0.00 H new ATOM 0 HE ARG A 124 -2.431 2.314 4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -5.058 -0.097 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.470 0.034 3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.966 2.473 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.273 1.502 1.795 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.287 -1.075 9.284 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.368 -2.039 9.405 1.00 0.00 C ATOM 1949 C ILE A 125 -5.687 -1.372 9.006 1.00 0.00 C ATOM 1950 O ILE A 125 -5.951 -0.234 9.389 1.00 0.00 O ATOM 1951 CB ILE A 125 -4.386 -2.650 10.806 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -3.043 -3.302 11.139 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -5.553 -3.629 10.962 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -2.833 -3.385 12.653 1.00 0.00 C ATOM 0 H ILE A 125 -3.460 -0.181 9.744 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.213 -2.874 8.721 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.540 -1.847 11.526 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.004 -4.302 10.708 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -2.234 -2.728 10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -5.543 -4.050 11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.494 -3.103 10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.454 -4.432 10.232 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.871 -3.853 12.862 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.849 -2.381 13.078 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.630 -3.980 13.099 1.00 0.00 H new ATOM 1966 N SER A 126 -6.478 -2.110 8.243 1.00 0.00 N ATOM 1967 CA SER A 126 -7.764 -1.604 7.788 1.00 0.00 C ATOM 1968 C SER A 126 -8.801 -2.728 7.801 1.00 0.00 C ATOM 1969 O SER A 126 -8.449 -3.904 7.735 1.00 0.00 O ATOM 1970 CB SER A 126 -7.653 -0.999 6.388 1.00 0.00 C ATOM 1971 OG SER A 126 -7.166 -1.941 5.436 1.00 0.00 O ATOM 0 H SER A 126 -6.255 -3.054 7.928 1.00 0.00 H new ATOM 0 HA SER A 126 -8.083 -0.816 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.631 -0.636 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.987 -0.136 6.418 1.00 0.00 H new ATOM 0 HG SER A 126 -7.111 -1.517 4.554 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.061 -2.326 7.887 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.153 -3.284 7.909 1.00 0.00 C ATOM 1979 C LYS A 127 -12.224 -2.853 6.906 1.00 0.00 C ATOM 1980 O LYS A 127 -12.354 -1.668 6.601 1.00 0.00 O ATOM 1981 CB LYS A 127 -11.682 -3.461 9.334 1.00 0.00 C ATOM 1982 CG LYS A 127 -12.314 -2.168 9.850 1.00 0.00 C ATOM 1983 CD LYS A 127 -13.829 -2.319 9.997 1.00 0.00 C ATOM 1984 CE LYS A 127 -14.562 -1.122 9.386 1.00 0.00 C ATOM 1985 NZ LYS A 127 -15.975 -1.101 9.825 1.00 0.00 N ATOM 0 H LYS A 127 -10.350 -1.349 7.942 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.802 -4.268 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.419 -4.263 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.867 -3.760 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -11.876 -1.904 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.091 -1.351 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.155 -3.237 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -14.088 -2.409 11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.069 -0.196 9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -14.514 -1.175 8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.458 -0.283 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -16.446 -1.977 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -16.015 -1.028 10.862 1.00 0.00 H new ATOM 1998 N ARG A 128 -12.966 -3.837 6.421 1.00 0.00 N ATOM 1999 CA ARG A 128 -14.022 -3.576 5.457 1.00 0.00 C ATOM 2000 C ARG A 128 -15.141 -2.760 6.107 1.00 0.00 C ATOM 2001 O ARG A 128 -15.594 -3.083 7.203 1.00 0.00 O ATOM 2002 CB ARG A 128 -14.603 -4.880 4.908 1.00 0.00 C ATOM 2003 CG ARG A 128 -15.571 -4.606 3.756 1.00 0.00 C ATOM 2004 CD ARG A 128 -16.133 -5.911 3.190 1.00 0.00 C ATOM 2005 NE ARG A 128 -17.460 -5.671 2.580 1.00 0.00 N ATOM 2006 CZ ARG A 128 -17.649 -5.035 1.404 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -16.596 -4.572 0.699 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -18.879 -4.875 0.954 1.00 0.00 N ATOM 0 H ARG A 128 -12.857 -4.818 6.678 1.00 0.00 H new ATOM 0 HA ARG A 128 -13.587 -3.012 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.795 -5.526 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -15.121 -5.415 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.388 -3.975 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -15.058 -4.055 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -15.450 -6.317 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -16.218 -6.654 3.983 1.00 0.00 H new ATOM 0 HE ARG A 128 -18.283 -6.007 3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -15.648 -4.701 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -16.748 -4.093 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -19.669 -5.229 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -19.040 -4.397 0.067 1.00 0.00 H new ATOM 2021 N ILE A 129 -15.555 -1.716 5.402 1.00 0.00 N ATOM 2022 CA ILE A 129 -16.612 -0.851 5.896 1.00 0.00 C ATOM 2023 C ILE A 129 -17.916 -1.647 5.987 1.00 0.00 C ATOM 2024 O ILE A 129 -18.534 -1.715 7.048 1.00 0.00 O ATOM 2025 CB ILE A 129 -16.720 0.409 5.036 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -15.420 1.215 5.079 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -17.930 1.251 5.446 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -15.125 1.704 6.498 1.00 0.00 C ATOM 0 H ILE A 129 -15.177 -1.451 4.493 1.00 0.00 H new ATOM 0 HA ILE A 129 -16.379 -0.503 6.902 1.00 0.00 H new ATOM 0 HB ILE A 129 -16.876 0.104 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -14.594 0.599 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -15.494 2.068 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -17.983 2.141 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -18.840 0.664 5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -17.829 1.548 6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -14.196 2.274 6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -15.941 2.339 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -15.027 0.847 7.165 1.00 0.00 H new