USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1110 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 2 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0642) USER MOD Single : A 4 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.6!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0392) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 168:sc=-0.00114 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc=-0.000692 (180deg=-0.0517) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0197) USER MOD Single : A 25 TYR OH : rot 180:sc= 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 46 LYS NZ :NH3+ -146:sc= 1.08 (180deg=0.465) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0.724 (180deg=0.582) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.092 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.028) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= 0.0848 X(o=0.085,f=0.041) USER MOD Single : A 82 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 83 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 175:sc= -0.308 (180deg=-0.344) USER MOD Single : A 93 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.39) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.074) USER MOD Single : A 99 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-1.1) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0 USER MOD Single : B 729 SER OG : rot 180:sc= 0 USER MOD Single : B 732 TYR OH : rot 103:sc= 1.83 USER MOD Single : B 739 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -15.635 7.099 -12.028 1.00 0.00 N ATOM 2 CA GLY A -3 -14.625 7.875 -12.763 1.00 0.00 C ATOM 3 C GLY A -3 -13.216 7.434 -12.411 1.00 0.00 C ATOM 4 O GLY A -3 -12.888 6.259 -12.602 1.00 0.00 O ATOM 0 H1 GLY A -3 -16.586 7.427 -12.293 1.00 0.00 H new ATOM 0 H2 GLY A -3 -15.538 6.091 -12.265 1.00 0.00 H new ATOM 0 H3 GLY A -3 -15.497 7.229 -11.006 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -14.786 7.760 -13.835 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -14.743 8.934 -12.535 1.00 0.00 H new ATOM 8 N SER A -2 -12.374 8.353 -11.936 1.00 0.00 N ATOM 9 CA SER A -2 -10.987 8.082 -11.563 1.00 0.00 C ATOM 10 C SER A -2 -10.811 7.967 -10.038 1.00 0.00 C ATOM 11 O SER A -2 -11.550 8.632 -9.304 1.00 0.00 O ATOM 12 CB SER A -2 -10.113 9.240 -12.067 1.00 0.00 C ATOM 13 OG SER A -2 -10.390 9.574 -13.419 1.00 0.00 O ATOM 0 H SER A -2 -12.644 9.327 -11.797 1.00 0.00 H new ATOM 0 HA SER A -2 -10.695 7.132 -12.011 1.00 0.00 H new ATOM 0 HB2 SER A -2 -10.275 10.115 -11.438 1.00 0.00 H new ATOM 0 HB3 SER A -2 -9.062 8.968 -11.970 1.00 0.00 H new ATOM 0 HG SER A -2 -9.813 10.316 -13.697 1.00 0.00 H new ATOM 19 N PRO A -1 -9.831 7.178 -9.555 1.00 0.00 N ATOM 20 CA PRO A -1 -9.560 7.029 -8.127 1.00 0.00 C ATOM 21 C PRO A -1 -8.916 8.320 -7.587 1.00 0.00 C ATOM 22 O PRO A -1 -8.444 9.148 -8.365 1.00 0.00 O ATOM 23 CB PRO A -1 -8.621 5.821 -8.021 1.00 0.00 C ATOM 24 CG PRO A -1 -7.871 5.837 -9.352 1.00 0.00 C ATOM 25 CD PRO A -1 -8.917 6.354 -10.336 1.00 0.00 C ATOM 0 HA PRO A -1 -10.460 6.867 -7.533 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -7.940 5.915 -7.175 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -9.175 4.892 -7.883 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -6.997 6.488 -9.314 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -7.517 4.843 -9.626 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -8.451 6.935 -11.131 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -9.446 5.529 -10.812 1.00 0.00 H new ATOM 33 N GLU A 0 -8.842 8.495 -6.264 1.00 0.00 N ATOM 34 CA GLU A 0 -8.256 9.698 -5.663 1.00 0.00 C ATOM 35 C GLU A 0 -6.744 9.788 -5.936 1.00 0.00 C ATOM 36 O GLU A 0 -6.047 8.765 -6.041 1.00 0.00 O ATOM 37 CB GLU A 0 -8.552 9.714 -4.152 1.00 0.00 C ATOM 38 CG GLU A 0 -8.454 11.066 -3.426 1.00 0.00 C ATOM 39 CD GLU A 0 -9.498 12.112 -3.830 1.00 0.00 C ATOM 40 OE1 GLU A 0 -10.497 11.810 -4.527 1.00 0.00 O ATOM 41 OE2 GLU A 0 -9.291 13.304 -3.503 1.00 0.00 O ATOM 0 H GLU A 0 -9.183 7.814 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 0 -8.712 10.575 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -9.558 9.323 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 0 -7.865 9.021 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -8.539 10.889 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 0 -7.462 11.482 -3.603 1.00 0.00 H new ATOM 48 N PHE A 1 -6.240 11.025 -6.002 1.00 0.00 N ATOM 49 CA PHE A 1 -4.853 11.418 -6.242 1.00 0.00 C ATOM 50 C PHE A 1 -4.292 12.198 -5.033 1.00 0.00 C ATOM 51 O PHE A 1 -4.992 12.386 -4.033 1.00 0.00 O ATOM 52 CB PHE A 1 -4.800 12.235 -7.542 1.00 0.00 C ATOM 53 CG PHE A 1 -5.311 11.481 -8.756 1.00 0.00 C ATOM 54 CD1 PHE A 1 -4.502 10.508 -9.366 1.00 0.00 C ATOM 55 CD2 PHE A 1 -6.604 11.715 -9.257 1.00 0.00 C ATOM 56 CE1 PHE A 1 -4.972 9.778 -10.472 1.00 0.00 C ATOM 57 CE2 PHE A 1 -7.075 10.988 -10.364 1.00 0.00 C ATOM 58 CZ PHE A 1 -6.265 10.011 -10.964 1.00 0.00 C ATOM 0 H PHE A 1 -6.842 11.839 -5.879 1.00 0.00 H new ATOM 0 HA PHE A 1 -4.221 10.538 -6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -5.389 13.143 -7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.771 12.545 -7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -3.510 10.319 -8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -7.237 12.455 -8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.339 9.040 -10.942 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -8.063 11.182 -10.754 1.00 0.00 H new ATOM 0 HZ PHE A 1 -6.636 9.440 -11.802 1.00 0.00 H new ATOM 68 N LYS A 2 -3.048 12.692 -5.124 1.00 0.00 N ATOM 69 CA LYS A 2 -2.315 13.472 -4.107 1.00 0.00 C ATOM 70 C LYS A 2 -1.957 12.654 -2.862 1.00 0.00 C ATOM 71 O LYS A 2 -2.430 11.529 -2.691 1.00 0.00 O ATOM 72 CB LYS A 2 -3.060 14.771 -3.732 1.00 0.00 C ATOM 73 CG LYS A 2 -3.485 15.646 -4.921 1.00 0.00 C ATOM 74 CD LYS A 2 -2.331 16.452 -5.532 1.00 0.00 C ATOM 75 CE LYS A 2 -2.250 17.858 -4.922 1.00 0.00 C ATOM 76 NZ LYS A 2 -3.326 18.737 -5.431 1.00 0.00 N ATOM 0 H LYS A 2 -2.488 12.550 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.370 13.752 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.949 14.509 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.420 15.362 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.922 15.011 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.265 16.334 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.390 15.927 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.469 16.528 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.320 17.788 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.280 18.299 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.109 19.726 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.396 18.638 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.231 18.466 -4.996 1.00 0.00 H new ATOM 90 N PHE A 3 -1.097 13.214 -2.004 1.00 0.00 N ATOM 91 CA PHE A 3 -0.643 12.566 -0.772 1.00 0.00 C ATOM 92 C PHE A 3 -1.819 12.198 0.139 1.00 0.00 C ATOM 93 O PHE A 3 -2.871 12.843 0.095 1.00 0.00 O ATOM 94 CB PHE A 3 0.366 13.469 -0.025 1.00 0.00 C ATOM 95 CG PHE A 3 1.789 13.370 -0.544 1.00 0.00 C ATOM 96 CD1 PHE A 3 2.618 12.314 -0.125 1.00 0.00 C ATOM 97 CD2 PHE A 3 2.289 14.308 -1.460 1.00 0.00 C ATOM 98 CE1 PHE A 3 3.895 12.140 -0.687 1.00 0.00 C ATOM 99 CE2 PHE A 3 3.579 14.160 -2.001 1.00 0.00 C ATOM 100 CZ PHE A 3 4.375 13.060 -1.636 1.00 0.00 C ATOM 0 H PHE A 3 -0.693 14.140 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.142 11.639 -1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.035 14.505 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 3 0.358 13.207 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.270 11.630 0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.679 15.150 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.507 11.301 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.959 14.893 -2.698 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.349 12.922 -2.082 1.00 0.00 H new ATOM 110 N GLN A 4 -1.545 11.341 1.130 1.00 0.00 N ATOM 111 CA GLN A 4 -2.503 10.832 2.109 1.00 0.00 C ATOM 112 C GLN A 4 -3.240 11.974 2.816 1.00 0.00 C ATOM 113 O GLN A 4 -4.458 11.943 2.977 1.00 0.00 O ATOM 114 CB GLN A 4 -1.726 9.997 3.143 1.00 0.00 C ATOM 115 CG GLN A 4 -2.595 9.399 4.261 1.00 0.00 C ATOM 116 CD GLN A 4 -3.603 8.406 3.707 1.00 0.00 C ATOM 117 OE1 GLN A 4 -3.272 7.244 3.494 1.00 0.00 O ATOM 118 NE2 GLN A 4 -4.818 8.832 3.427 1.00 0.00 N ATOM 0 H GLN A 4 -0.606 10.969 1.275 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.251 10.225 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.213 9.186 2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.957 10.624 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.958 8.903 4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.119 10.199 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.073 9.802 3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.503 8.192 3.026 1.00 0.00 H new ATOM 127 N TYR A 5 -2.500 13.022 3.175 1.00 0.00 N ATOM 128 CA TYR A 5 -3.034 14.188 3.857 1.00 0.00 C ATOM 129 C TYR A 5 -4.169 14.879 3.085 1.00 0.00 C ATOM 130 O TYR A 5 -5.001 15.542 3.692 1.00 0.00 O ATOM 131 CB TYR A 5 -1.877 15.157 4.105 1.00 0.00 C ATOM 132 CG TYR A 5 -2.136 16.136 5.223 1.00 0.00 C ATOM 133 CD1 TYR A 5 -2.165 15.670 6.552 1.00 0.00 C ATOM 134 CD2 TYR A 5 -2.364 17.497 4.943 1.00 0.00 C ATOM 135 CE1 TYR A 5 -2.440 16.559 7.602 1.00 0.00 C ATOM 136 CE2 TYR A 5 -2.633 18.391 5.992 1.00 0.00 C ATOM 137 CZ TYR A 5 -2.676 17.922 7.322 1.00 0.00 C ATOM 138 OH TYR A 5 -2.939 18.790 8.333 1.00 0.00 O ATOM 0 H TYR A 5 -1.498 13.081 2.995 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.481 13.863 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.978 14.585 4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.676 15.711 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.975 14.628 6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.332 17.853 3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.471 16.202 8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.807 19.436 5.781 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.076 19.688 7.966 1.00 0.00 H new ATOM 148 N LYS A 6 -4.198 14.787 1.751 1.00 0.00 N ATOM 149 CA LYS A 6 -5.245 15.406 0.934 1.00 0.00 C ATOM 150 C LYS A 6 -6.399 14.425 0.760 1.00 0.00 C ATOM 151 O LYS A 6 -7.555 14.842 0.681 1.00 0.00 O ATOM 152 CB LYS A 6 -4.690 15.852 -0.430 1.00 0.00 C ATOM 153 CG LYS A 6 -3.357 16.625 -0.373 1.00 0.00 C ATOM 154 CD LYS A 6 -3.347 17.859 0.548 1.00 0.00 C ATOM 155 CE LYS A 6 -4.179 19.042 0.040 1.00 0.00 C ATOM 156 NZ LYS A 6 -3.667 19.607 -1.228 1.00 0.00 N ATOM 0 H LYS A 6 -3.497 14.282 1.209 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.611 16.298 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.554 14.970 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.435 16.479 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.574 15.941 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.098 16.944 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.718 17.566 1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.316 18.188 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.210 18.719 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.192 19.823 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.194 20.473 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.657 19.834 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.789 18.912 -1.992 1.00 0.00 H new ATOM 170 N GLU A 7 -6.109 13.125 0.668 1.00 0.00 N ATOM 171 CA GLU A 7 -7.144 12.105 0.523 1.00 0.00 C ATOM 172 C GLU A 7 -7.779 11.773 1.887 1.00 0.00 C ATOM 173 O GLU A 7 -8.782 11.071 1.919 1.00 0.00 O ATOM 174 CB GLU A 7 -6.643 10.885 -0.263 1.00 0.00 C ATOM 175 CG GLU A 7 -5.467 10.186 0.404 1.00 0.00 C ATOM 176 CD GLU A 7 -5.351 8.715 0.020 1.00 0.00 C ATOM 177 OE1 GLU A 7 -4.991 8.430 -1.141 1.00 0.00 O ATOM 178 OE2 GLU A 7 -5.648 7.847 0.874 1.00 0.00 O ATOM 0 H GLU A 7 -5.159 12.755 0.692 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.951 12.509 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.461 10.175 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.350 11.201 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.545 10.700 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.570 10.266 1.486 1.00 0.00 H new ATOM 185 N ASP A 8 -7.274 12.317 3.002 1.00 0.00 N ATOM 186 CA ASP A 8 -7.809 12.125 4.362 1.00 0.00 C ATOM 187 C ASP A 8 -9.222 12.717 4.530 1.00 0.00 C ATOM 188 O ASP A 8 -10.002 12.231 5.347 1.00 0.00 O ATOM 189 CB ASP A 8 -6.828 12.698 5.418 1.00 0.00 C ATOM 190 CG ASP A 8 -7.254 13.944 6.229 1.00 0.00 C ATOM 191 OD1 ASP A 8 -7.801 14.936 5.693 1.00 0.00 O ATOM 192 OD2 ASP A 8 -6.893 13.994 7.427 1.00 0.00 O ATOM 0 H ASP A 8 -6.454 12.924 2.985 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.904 11.051 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.605 11.902 6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.896 12.939 4.907 1.00 0.00 H new ATOM 197 N HIS A 9 -9.549 13.745 3.742 1.00 0.00 N ATOM 198 CA HIS A 9 -10.807 14.482 3.739 1.00 0.00 C ATOM 199 C HIS A 9 -12.066 13.664 3.369 1.00 0.00 C ATOM 200 O HIS A 9 -12.974 13.589 4.204 1.00 0.00 O ATOM 201 CB HIS A 9 -10.602 15.726 2.857 1.00 0.00 C ATOM 202 CG HIS A 9 -11.868 16.430 2.459 1.00 0.00 C ATOM 203 ND1 HIS A 9 -12.386 16.495 1.183 1.00 0.00 N ATOM 204 CD2 HIS A 9 -12.705 17.113 3.298 1.00 0.00 C ATOM 205 CE1 HIS A 9 -13.515 17.215 1.247 1.00 0.00 C ATOM 206 NE2 HIS A 9 -13.736 17.635 2.509 1.00 0.00 N ATOM 0 H HIS A 9 -8.897 14.105 3.045 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.037 14.768 4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.963 16.430 3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.068 15.430 1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.592 17.228 4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.157 17.429 0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.507 18.221 2.828 1.00 0.00 H new ATOM 214 N PRO A 10 -12.178 13.037 2.180 1.00 0.00 N ATOM 215 CA PRO A 10 -13.349 12.257 1.767 1.00 0.00 C ATOM 216 C PRO A 10 -13.437 10.882 2.471 1.00 0.00 C ATOM 217 O PRO A 10 -13.498 9.838 1.819 1.00 0.00 O ATOM 218 CB PRO A 10 -13.199 12.162 0.242 1.00 0.00 C ATOM 219 CG PRO A 10 -11.687 12.023 0.079 1.00 0.00 C ATOM 220 CD PRO A 10 -11.209 13.054 1.095 1.00 0.00 C ATOM 0 HA PRO A 10 -14.290 12.726 2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.734 11.305 -0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.584 13.049 -0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.335 11.018 0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.355 12.252 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.212 12.807 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.147 14.045 0.644 1.00 0.00 H new ATOM 228 N PHE A 11 -13.520 10.885 3.800 1.00 0.00 N ATOM 229 CA PHE A 11 -13.604 9.724 4.674 1.00 0.00 C ATOM 230 C PHE A 11 -14.704 8.764 4.228 1.00 0.00 C ATOM 231 O PHE A 11 -14.455 7.577 4.061 1.00 0.00 O ATOM 232 CB PHE A 11 -13.815 10.225 6.108 1.00 0.00 C ATOM 233 CG PHE A 11 -13.664 9.169 7.183 1.00 0.00 C ATOM 234 CD1 PHE A 11 -14.774 8.418 7.612 1.00 0.00 C ATOM 235 CD2 PHE A 11 -12.406 8.952 7.774 1.00 0.00 C ATOM 236 CE1 PHE A 11 -14.628 7.461 8.630 1.00 0.00 C ATOM 237 CE2 PHE A 11 -12.257 7.992 8.788 1.00 0.00 C ATOM 238 CZ PHE A 11 -13.367 7.252 9.222 1.00 0.00 C ATOM 0 H PHE A 11 -13.531 11.758 4.327 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.678 9.151 4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.104 11.027 6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.812 10.658 6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -15.741 8.578 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.552 9.526 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.481 6.886 8.958 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.288 7.823 9.234 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.255 6.522 10.010 1.00 0.00 H new ATOM 248 N GLU A 12 -15.924 9.251 3.972 1.00 0.00 N ATOM 249 CA GLU A 12 -17.022 8.383 3.549 1.00 0.00 C ATOM 250 C GLU A 12 -16.733 7.647 2.227 1.00 0.00 C ATOM 251 O GLU A 12 -17.330 6.595 1.970 1.00 0.00 O ATOM 252 CB GLU A 12 -18.346 9.162 3.477 1.00 0.00 C ATOM 253 CG GLU A 12 -18.287 10.397 2.564 1.00 0.00 C ATOM 254 CD GLU A 12 -19.672 10.955 2.231 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.572 10.973 3.099 1.00 0.00 O ATOM 256 OE2 GLU A 12 -19.896 11.391 1.076 1.00 0.00 O ATOM 0 H GLU A 12 -16.172 10.237 4.051 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.118 7.611 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.131 8.495 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.627 9.477 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.694 11.173 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.774 10.135 1.639 1.00 0.00 H new ATOM 263 N TYR A 13 -15.899 8.213 1.349 1.00 0.00 N ATOM 264 CA TYR A 13 -15.541 7.597 0.078 1.00 0.00 C ATOM 265 C TYR A 13 -14.526 6.510 0.379 1.00 0.00 C ATOM 266 O TYR A 13 -14.739 5.372 -0.031 1.00 0.00 O ATOM 267 CB TYR A 13 -14.965 8.637 -0.890 1.00 0.00 C ATOM 268 CG TYR A 13 -14.203 8.113 -2.090 1.00 0.00 C ATOM 269 CD1 TYR A 13 -14.882 7.586 -3.204 1.00 0.00 C ATOM 270 CD2 TYR A 13 -12.802 8.239 -2.120 1.00 0.00 C ATOM 271 CE1 TYR A 13 -14.174 7.267 -4.378 1.00 0.00 C ATOM 272 CE2 TYR A 13 -12.090 7.898 -3.278 1.00 0.00 C ATOM 273 CZ TYR A 13 -12.772 7.444 -4.425 1.00 0.00 C ATOM 274 OH TYR A 13 -12.071 7.277 -5.580 1.00 0.00 O ATOM 0 H TYR A 13 -15.453 9.117 1.506 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.421 7.173 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.787 9.253 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.301 9.292 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.949 7.426 -3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.274 8.599 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.701 6.888 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.013 7.983 -3.292 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.162 7.625 -5.464 1.00 0.00 H new ATOM 284 N ARG A 14 -13.460 6.835 1.122 1.00 0.00 N ATOM 285 CA ARG A 14 -12.417 5.874 1.472 1.00 0.00 C ATOM 286 C ARG A 14 -13.019 4.701 2.229 1.00 0.00 C ATOM 287 O ARG A 14 -12.777 3.550 1.892 1.00 0.00 O ATOM 288 CB ARG A 14 -11.372 6.597 2.332 1.00 0.00 C ATOM 289 CG ARG A 14 -10.045 5.836 2.388 1.00 0.00 C ATOM 290 CD ARG A 14 -8.981 6.626 3.158 1.00 0.00 C ATOM 291 NE ARG A 14 -7.641 6.372 2.626 1.00 0.00 N ATOM 292 CZ ARG A 14 -6.657 5.649 3.154 1.00 0.00 C ATOM 293 NH1 ARG A 14 -6.798 5.057 4.338 1.00 0.00 N ATOM 294 NH2 ARG A 14 -5.534 5.548 2.458 1.00 0.00 N ATOM 0 H ARG A 14 -13.301 7.771 1.495 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.945 5.481 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.200 7.595 1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.760 6.723 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.198 4.868 2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.693 5.640 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.202 7.692 3.098 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.014 6.352 4.213 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.434 6.809 1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.671 5.154 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.033 4.506 4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.450 6.015 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.754 5.003 2.825 1.00 0.00 H new ATOM 308 N LYS A 15 -13.929 4.976 3.152 1.00 0.00 N ATOM 309 CA LYS A 15 -14.602 3.974 3.952 1.00 0.00 C ATOM 310 C LYS A 15 -15.499 3.097 3.079 1.00 0.00 C ATOM 311 O LYS A 15 -15.484 1.872 3.233 1.00 0.00 O ATOM 312 CB LYS A 15 -15.316 4.742 5.065 1.00 0.00 C ATOM 313 CG LYS A 15 -15.857 3.890 6.209 1.00 0.00 C ATOM 314 CD LYS A 15 -17.188 3.190 5.980 1.00 0.00 C ATOM 315 CE LYS A 15 -18.248 4.193 5.528 1.00 0.00 C ATOM 316 NZ LYS A 15 -19.544 3.927 6.169 1.00 0.00 N ATOM 0 H LYS A 15 -14.224 5.928 3.368 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.921 3.257 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.624 5.476 5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.145 5.297 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.112 3.131 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.956 4.527 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.071 2.411 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.511 2.700 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.921 5.204 5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.359 4.144 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.243 4.624 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.866 2.971 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.442 3.998 7.202 1.00 0.00 H new ATOM 330 N LYS A 16 -16.326 3.671 2.190 1.00 0.00 N ATOM 331 CA LYS A 16 -17.189 2.843 1.335 1.00 0.00 C ATOM 332 C LYS A 16 -16.366 2.005 0.367 1.00 0.00 C ATOM 333 O LYS A 16 -16.699 0.837 0.138 1.00 0.00 O ATOM 334 CB LYS A 16 -18.165 3.694 0.515 1.00 0.00 C ATOM 335 CG LYS A 16 -19.400 4.086 1.325 1.00 0.00 C ATOM 336 CD LYS A 16 -20.452 4.764 0.438 1.00 0.00 C ATOM 337 CE LYS A 16 -21.143 3.815 -0.555 1.00 0.00 C ATOM 338 NZ LYS A 16 -21.878 2.707 0.092 1.00 0.00 N ATOM 0 H LYS A 16 -16.414 4.677 2.047 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.750 2.194 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.658 4.594 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.473 3.140 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.830 3.199 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.111 4.760 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.210 5.220 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.976 5.571 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.837 4.389 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.393 3.398 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.414 2.179 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.203 2.068 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.535 3.093 0.800 1.00 0.00 H new ATOM 352 N GLU A 17 -15.349 2.615 -0.235 1.00 0.00 N ATOM 353 CA GLU A 17 -14.469 1.983 -1.193 1.00 0.00 C ATOM 354 C GLU A 17 -13.714 0.846 -0.522 1.00 0.00 C ATOM 355 O GLU A 17 -13.746 -0.265 -1.041 1.00 0.00 O ATOM 356 CB GLU A 17 -13.523 3.030 -1.787 1.00 0.00 C ATOM 357 CG GLU A 17 -12.635 2.418 -2.873 1.00 0.00 C ATOM 358 CD GLU A 17 -11.791 3.506 -3.535 1.00 0.00 C ATOM 359 OE1 GLU A 17 -12.302 4.172 -4.458 1.00 0.00 O ATOM 360 OE2 GLU A 17 -10.623 3.710 -3.139 1.00 0.00 O ATOM 0 H GLU A 17 -15.114 3.592 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.048 1.556 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.103 3.852 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.900 3.451 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.986 1.658 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.252 1.920 -3.621 1.00 0.00 H new ATOM 367 N GLY A 18 -13.124 1.094 0.649 1.00 0.00 N ATOM 368 CA GLY A 18 -12.355 0.143 1.434 1.00 0.00 C ATOM 369 C GLY A 18 -13.226 -1.047 1.790 1.00 0.00 C ATOM 370 O GLY A 18 -12.824 -2.199 1.604 1.00 0.00 O ATOM 0 H GLY A 18 -13.176 2.011 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.483 -0.188 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.985 0.620 2.342 1.00 0.00 H new ATOM 374 N GLU A 19 -14.458 -0.791 2.243 1.00 0.00 N ATOM 375 CA GLU A 19 -15.386 -1.859 2.572 1.00 0.00 C ATOM 376 C GLU A 19 -15.618 -2.699 1.308 1.00 0.00 C ATOM 377 O GLU A 19 -15.670 -3.931 1.395 1.00 0.00 O ATOM 378 CB GLU A 19 -16.706 -1.280 3.110 1.00 0.00 C ATOM 379 CG GLU A 19 -17.785 -2.371 3.232 1.00 0.00 C ATOM 380 CD GLU A 19 -19.072 -1.868 3.880 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.606 -0.825 3.433 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.557 -2.561 4.806 1.00 0.00 O ATOM 0 H GLU A 19 -14.828 0.148 2.387 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.971 -2.492 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.535 -0.824 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.057 -0.490 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.013 -2.761 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.390 -3.201 3.818 1.00 0.00 H new ATOM 389 N LYS A 20 -15.717 -2.065 0.134 1.00 0.00 N ATOM 390 CA LYS A 20 -15.943 -2.772 -1.119 1.00 0.00 C ATOM 391 C LYS A 20 -14.748 -3.643 -1.492 1.00 0.00 C ATOM 392 O LYS A 20 -14.969 -4.823 -1.780 1.00 0.00 O ATOM 393 CB LYS A 20 -16.250 -1.773 -2.257 1.00 0.00 C ATOM 394 CG LYS A 20 -17.013 -2.399 -3.441 1.00 0.00 C ATOM 395 CD LYS A 20 -18.538 -2.267 -3.343 1.00 0.00 C ATOM 396 CE LYS A 20 -19.114 -3.079 -2.180 1.00 0.00 C ATOM 397 NZ LYS A 20 -20.525 -2.746 -1.922 1.00 0.00 N ATOM 0 H LYS A 20 -15.642 -1.053 0.032 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.804 -3.425 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.836 -0.946 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.313 -1.352 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.677 -1.929 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.754 -3.456 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.803 -1.217 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.991 -2.601 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.027 -4.143 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.527 -2.892 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.877 -3.317 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.606 -1.737 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.090 -2.949 -2.771 1.00 0.00 H new ATOM 411 N ILE A 21 -13.506 -3.129 -1.428 1.00 0.00 N ATOM 412 CA ILE A 21 -12.376 -3.972 -1.810 1.00 0.00 C ATOM 413 C ILE A 21 -12.206 -5.111 -0.805 1.00 0.00 C ATOM 414 O ILE A 21 -12.012 -6.259 -1.217 1.00 0.00 O ATOM 415 CB ILE A 21 -11.088 -3.130 -2.036 1.00 0.00 C ATOM 416 CG1 ILE A 21 -9.751 -3.898 -2.080 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.853 -1.997 -1.028 1.00 0.00 C ATOM 418 CD1 ILE A 21 -9.663 -5.084 -3.035 1.00 0.00 C ATOM 0 H ILE A 21 -13.272 -2.182 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.582 -4.437 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.333 -2.745 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.964 -3.192 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.533 -4.257 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.929 -1.474 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.688 -1.297 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.775 -2.414 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.672 -5.533 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.416 -5.824 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.838 -4.743 -4.056 1.00 0.00 H new ATOM 430 N ARG A 22 -12.545 -4.882 0.464 1.00 0.00 N ATOM 431 CA ARG A 22 -12.431 -5.922 1.475 1.00 0.00 C ATOM 432 C ARG A 22 -13.525 -6.959 1.256 1.00 0.00 C ATOM 433 O ARG A 22 -13.315 -8.133 1.526 1.00 0.00 O ATOM 434 CB ARG A 22 -12.469 -5.259 2.860 1.00 0.00 C ATOM 435 CG ARG A 22 -12.108 -6.185 4.038 1.00 0.00 C ATOM 436 CD ARG A 22 -13.268 -6.998 4.635 1.00 0.00 C ATOM 437 NE ARG A 22 -14.399 -6.134 5.020 1.00 0.00 N ATOM 438 CZ ARG A 22 -15.189 -6.269 6.090 1.00 0.00 C ATOM 439 NH1 ARG A 22 -15.025 -7.259 6.957 1.00 0.00 N ATOM 440 NH2 ARG A 22 -16.180 -5.405 6.280 1.00 0.00 N ATOM 0 H ARG A 22 -12.898 -3.990 0.810 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.485 -6.458 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.782 -4.413 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.469 -4.858 3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.337 -6.880 3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.670 -5.578 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.606 -7.737 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.916 -7.547 5.508 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.601 -5.348 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.281 -7.942 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.643 -7.337 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.332 -4.648 5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.789 -5.498 7.093 1.00 0.00 H new ATOM 454 N LYS A 23 -14.694 -6.573 0.741 1.00 0.00 N ATOM 455 CA LYS A 23 -15.785 -7.510 0.522 1.00 0.00 C ATOM 456 C LYS A 23 -15.638 -8.369 -0.727 1.00 0.00 C ATOM 457 O LYS A 23 -16.062 -9.520 -0.654 1.00 0.00 O ATOM 458 CB LYS A 23 -17.136 -6.774 0.565 1.00 0.00 C ATOM 459 CG LYS A 23 -17.571 -6.487 2.015 1.00 0.00 C ATOM 460 CD LYS A 23 -18.106 -7.756 2.693 1.00 0.00 C ATOM 461 CE LYS A 23 -18.472 -7.524 4.161 1.00 0.00 C ATOM 462 NZ LYS A 23 -18.786 -8.804 4.834 1.00 0.00 N ATOM 0 H LYS A 23 -14.905 -5.613 0.469 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.745 -8.225 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.060 -5.837 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.896 -7.376 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.725 -6.097 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.341 -5.716 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.985 -8.110 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.355 -8.543 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.645 -7.032 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.330 -6.855 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.031 -8.622 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.590 -9.259 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.958 -9.431 4.791 1.00 0.00 H new ATOM 476 N LYS A 24 -15.092 -7.903 -1.863 1.00 0.00 N ATOM 477 CA LYS A 24 -15.008 -8.816 -3.020 1.00 0.00 C ATOM 478 C LYS A 24 -13.891 -9.852 -2.861 1.00 0.00 C ATOM 479 O LYS A 24 -14.139 -11.038 -3.083 1.00 0.00 O ATOM 480 CB LYS A 24 -14.905 -8.073 -4.357 1.00 0.00 C ATOM 481 CG LYS A 24 -15.331 -8.993 -5.511 1.00 0.00 C ATOM 482 CD LYS A 24 -15.734 -8.216 -6.766 1.00 0.00 C ATOM 483 CE LYS A 24 -16.367 -9.154 -7.806 1.00 0.00 C ATOM 484 NZ LYS A 24 -17.741 -9.584 -7.454 1.00 0.00 N ATOM 0 H LYS A 24 -14.723 -6.963 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.952 -9.361 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.538 -7.186 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.882 -7.732 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.511 -9.668 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.168 -9.612 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.440 -7.429 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.859 -7.728 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.389 -8.651 -8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.737 -10.036 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.146 -10.130 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.711 -10.178 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.331 -8.747 -7.273 1.00 0.00 H new ATOM 498 N TYR A 25 -12.692 -9.438 -2.437 1.00 0.00 N ATOM 499 CA TYR A 25 -11.547 -10.337 -2.251 1.00 0.00 C ATOM 500 C TYR A 25 -11.023 -10.196 -0.812 1.00 0.00 C ATOM 501 O TYR A 25 -9.904 -9.730 -0.633 1.00 0.00 O ATOM 502 CB TYR A 25 -10.448 -10.051 -3.298 1.00 0.00 C ATOM 503 CG TYR A 25 -10.861 -10.174 -4.755 1.00 0.00 C ATOM 504 CD1 TYR A 25 -10.850 -11.415 -5.414 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.204 -9.021 -5.476 1.00 0.00 C ATOM 506 CE1 TYR A 25 -11.232 -11.504 -6.764 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.585 -9.092 -6.825 1.00 0.00 C ATOM 508 CZ TYR A 25 -11.637 -10.347 -7.464 1.00 0.00 C ATOM 509 OH TYR A 25 -12.046 -10.446 -8.755 1.00 0.00 O ATOM 0 H TYR A 25 -12.487 -8.464 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.863 -11.369 -2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.072 -9.041 -3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.618 -10.734 -3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.547 -12.304 -4.881 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.174 -8.060 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.216 -12.460 -7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.836 -8.193 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.291 -9.558 -9.089 1.00 0.00 H new ATOM 519 N PRO A 26 -11.764 -10.630 0.224 1.00 0.00 N ATOM 520 CA PRO A 26 -11.359 -10.521 1.628 1.00 0.00 C ATOM 521 C PRO A 26 -10.021 -11.170 1.991 1.00 0.00 C ATOM 522 O PRO A 26 -9.438 -10.798 3.011 1.00 0.00 O ATOM 523 CB PRO A 26 -12.518 -11.090 2.456 1.00 0.00 C ATOM 524 CG PRO A 26 -13.343 -11.893 1.455 1.00 0.00 C ATOM 525 CD PRO A 26 -13.095 -11.192 0.132 1.00 0.00 C ATOM 0 HA PRO A 26 -11.168 -9.470 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.154 -11.721 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.109 -10.295 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.026 -12.935 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.401 -11.891 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.167 -11.892 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.837 -10.413 -0.042 1.00 0.00 H new ATOM 533 N ASP A 27 -9.519 -12.132 1.212 1.00 0.00 N ATOM 534 CA ASP A 27 -8.223 -12.768 1.500 1.00 0.00 C ATOM 535 C ASP A 27 -7.073 -11.879 0.994 1.00 0.00 C ATOM 536 O ASP A 27 -5.891 -12.218 1.149 1.00 0.00 O ATOM 537 CB ASP A 27 -8.082 -14.135 0.812 1.00 0.00 C ATOM 538 CG ASP A 27 -9.257 -15.085 0.980 1.00 0.00 C ATOM 539 OD1 ASP A 27 -9.864 -15.170 2.071 1.00 0.00 O ATOM 540 OD2 ASP A 27 -9.659 -15.687 -0.042 1.00 0.00 O ATOM 0 H ASP A 27 -9.986 -12.489 0.378 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.177 -12.902 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.922 -13.970 -0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.187 -14.623 1.196 1.00 0.00 H new ATOM 545 N ARG A 28 -7.388 -10.764 0.329 1.00 0.00 N ATOM 546 CA ARG A 28 -6.464 -9.798 -0.250 1.00 0.00 C ATOM 547 C ARG A 28 -6.708 -8.454 0.435 1.00 0.00 C ATOM 548 O ARG A 28 -7.850 -8.129 0.758 1.00 0.00 O ATOM 549 CB ARG A 28 -6.722 -9.789 -1.775 1.00 0.00 C ATOM 550 CG ARG A 28 -5.460 -9.691 -2.649 1.00 0.00 C ATOM 551 CD ARG A 28 -5.624 -10.455 -3.974 1.00 0.00 C ATOM 552 NE ARG A 28 -5.365 -11.895 -3.786 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.599 -12.902 -4.634 1.00 0.00 C ATOM 554 NH1 ARG A 28 -6.258 -12.704 -5.773 1.00 0.00 N ATOM 555 NH2 ARG A 28 -5.157 -14.115 -4.326 1.00 0.00 N ATOM 0 H ARG A 28 -8.361 -10.499 0.173 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.413 -10.041 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.261 -10.698 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.376 -8.950 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.242 -8.644 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.606 -10.091 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.633 -10.310 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.937 -10.052 -4.718 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.953 -12.157 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.594 -11.771 -6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.427 -13.485 -6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.648 -14.267 -3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.326 -14.896 -4.960 1.00 0.00 H new ATOM 569 N VAL A 29 -5.660 -7.656 0.632 1.00 0.00 N ATOM 570 CA VAL A 29 -5.760 -6.360 1.289 1.00 0.00 C ATOM 571 C VAL A 29 -5.131 -5.259 0.438 1.00 0.00 C ATOM 572 O VAL A 29 -4.068 -5.473 -0.174 1.00 0.00 O ATOM 573 CB VAL A 29 -5.152 -6.392 2.706 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.157 -7.036 3.663 1.00 0.00 C ATOM 575 CG2 VAL A 29 -3.781 -7.089 2.792 1.00 0.00 C ATOM 0 H VAL A 29 -4.713 -7.895 0.337 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.820 -6.130 1.398 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.957 -5.359 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.736 -7.063 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.078 -6.452 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.374 -8.052 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.426 -7.067 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.878 -8.124 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.068 -6.570 2.151 1.00 0.00 H new ATOM 585 N PRO A 30 -5.802 -4.094 0.364 1.00 0.00 N ATOM 586 CA PRO A 30 -5.335 -2.947 -0.376 1.00 0.00 C ATOM 587 C PRO A 30 -4.316 -2.200 0.481 1.00 0.00 C ATOM 588 O PRO A 30 -4.553 -1.892 1.656 1.00 0.00 O ATOM 589 CB PRO A 30 -6.572 -2.097 -0.623 1.00 0.00 C ATOM 590 CG PRO A 30 -7.413 -2.336 0.633 1.00 0.00 C ATOM 591 CD PRO A 30 -7.058 -3.764 1.033 1.00 0.00 C ATOM 0 HA PRO A 30 -4.851 -3.208 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.320 -1.044 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.099 -2.405 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.167 -1.625 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.478 -2.229 0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.952 -3.847 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.847 -4.455 0.736 1.00 0.00 H new ATOM 599 N VAL A 31 -3.182 -1.880 -0.123 1.00 0.00 N ATOM 600 CA VAL A 31 -2.110 -1.181 0.548 1.00 0.00 C ATOM 601 C VAL A 31 -1.741 -0.014 -0.353 1.00 0.00 C ATOM 602 O VAL A 31 -1.523 -0.193 -1.557 1.00 0.00 O ATOM 603 CB VAL A 31 -0.944 -2.149 0.808 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.048 -1.565 1.807 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.374 -3.540 1.306 1.00 0.00 C ATOM 0 H VAL A 31 -2.984 -2.102 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.396 -0.800 1.528 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.478 -2.280 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.860 -2.273 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.453 -0.632 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.459 -1.371 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.491 -4.159 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.918 -3.438 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.018 -4.010 0.562 1.00 0.00 H new ATOM 615 N ILE A 32 -1.664 1.179 0.219 1.00 0.00 N ATOM 616 CA ILE A 32 -1.332 2.390 -0.509 1.00 0.00 C ATOM 617 C ILE A 32 0.108 2.720 -0.168 1.00 0.00 C ATOM 618 O ILE A 32 0.439 2.868 1.013 1.00 0.00 O ATOM 619 CB ILE A 32 -2.314 3.524 -0.149 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.804 3.105 -0.157 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.089 4.710 -1.096 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.311 2.541 -1.487 1.00 0.00 C ATOM 0 H ILE A 32 -1.833 1.332 1.213 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.427 2.257 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.098 3.804 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.960 2.357 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.411 3.971 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.782 5.513 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.065 5.068 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.261 4.392 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.364 2.277 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.194 3.292 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.736 1.653 -1.748 1.00 0.00 H new ATOM 634 N VAL A 33 0.959 2.776 -1.192 1.00 0.00 N ATOM 635 CA VAL A 33 2.364 3.090 -1.017 1.00 0.00 C ATOM 636 C VAL A 33 2.552 4.593 -1.221 1.00 0.00 C ATOM 637 O VAL A 33 2.115 5.163 -2.226 1.00 0.00 O ATOM 638 CB VAL A 33 3.257 2.182 -1.889 1.00 0.00 C ATOM 639 CG1 VAL A 33 2.957 2.193 -3.392 1.00 0.00 C ATOM 640 CG2 VAL A 33 4.726 2.542 -1.680 1.00 0.00 C ATOM 0 H VAL A 33 0.688 2.605 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 33 2.695 2.869 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 33 3.029 1.171 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.644 1.520 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.932 1.863 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.081 3.204 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.350 1.897 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.889 3.583 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.989 2.404 -0.631 1.00 0.00 H new ATOM 650 N GLU A 34 3.214 5.234 -0.261 1.00 0.00 N ATOM 651 CA GLU A 34 3.513 6.656 -0.252 1.00 0.00 C ATOM 652 C GLU A 34 5.031 6.833 -0.172 1.00 0.00 C ATOM 653 O GLU A 34 5.724 6.012 0.435 1.00 0.00 O ATOM 654 CB GLU A 34 2.777 7.293 0.935 1.00 0.00 C ATOM 655 CG GLU A 34 2.652 8.816 0.844 1.00 0.00 C ATOM 656 CD GLU A 34 1.644 9.250 -0.225 1.00 0.00 C ATOM 657 OE1 GLU A 34 1.998 9.250 -1.427 1.00 0.00 O ATOM 658 OE2 GLU A 34 0.517 9.655 0.135 1.00 0.00 O ATOM 0 H GLU A 34 3.570 4.753 0.565 1.00 0.00 H new ATOM 0 HA GLU A 34 3.173 7.153 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.779 6.860 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.302 7.036 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.346 9.212 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.628 9.246 0.617 1.00 0.00 H new ATOM 665 N LYS A 35 5.581 7.882 -0.788 1.00 0.00 N ATOM 666 CA LYS A 35 7.030 8.085 -0.742 1.00 0.00 C ATOM 667 C LYS A 35 7.352 8.853 0.534 1.00 0.00 C ATOM 668 O LYS A 35 6.670 9.826 0.873 1.00 0.00 O ATOM 669 CB LYS A 35 7.562 8.749 -2.026 1.00 0.00 C ATOM 670 CG LYS A 35 7.236 10.240 -2.204 1.00 0.00 C ATOM 671 CD LYS A 35 8.319 11.184 -1.653 1.00 0.00 C ATOM 672 CE LYS A 35 9.566 11.156 -2.543 1.00 0.00 C ATOM 673 NZ LYS A 35 10.444 12.323 -2.332 1.00 0.00 N ATOM 0 H LYS A 35 5.061 8.587 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 35 7.551 7.128 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.645 8.630 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.163 8.206 -2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.093 10.447 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.291 10.457 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.929 12.200 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.584 10.888 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.128 10.243 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.260 11.121 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.271 12.253 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.920 13.195 -2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.761 12.345 -1.342 1.00 0.00 H new ATOM 687 N ALA A 36 8.401 8.425 1.222 1.00 0.00 N ATOM 688 CA ALA A 36 8.879 9.011 2.464 1.00 0.00 C ATOM 689 C ALA A 36 9.929 10.088 2.170 1.00 0.00 C ATOM 690 O ALA A 36 10.454 10.167 1.053 1.00 0.00 O ATOM 691 CB ALA A 36 9.444 7.859 3.302 1.00 0.00 C ATOM 0 H ALA A 36 8.963 7.630 0.918 1.00 0.00 H new ATOM 0 HA ALA A 36 8.080 9.509 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.818 8.247 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.658 7.129 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.259 7.380 2.759 1.00 0.00 H new ATOM 697 N PRO A 37 10.221 10.942 3.162 1.00 0.00 N ATOM 698 CA PRO A 37 11.190 12.019 3.039 1.00 0.00 C ATOM 699 C PRO A 37 12.612 11.492 2.864 1.00 0.00 C ATOM 700 O PRO A 37 12.911 10.343 3.194 1.00 0.00 O ATOM 701 CB PRO A 37 11.036 12.837 4.321 1.00 0.00 C ATOM 702 CG PRO A 37 10.484 11.847 5.342 1.00 0.00 C ATOM 703 CD PRO A 37 9.635 10.925 4.496 1.00 0.00 C ATOM 0 HA PRO A 37 11.010 12.624 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.991 13.250 4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.357 13.678 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.281 11.307 5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.895 12.346 6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.630 9.915 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.599 11.264 4.470 1.00 0.00 H new ATOM 711 N LYS A 38 13.491 12.363 2.355 1.00 0.00 N ATOM 712 CA LYS A 38 14.914 12.130 2.091 1.00 0.00 C ATOM 713 C LYS A 38 15.243 10.933 1.196 1.00 0.00 C ATOM 714 O LYS A 38 16.420 10.686 0.938 1.00 0.00 O ATOM 715 CB LYS A 38 15.687 12.096 3.417 1.00 0.00 C ATOM 716 CG LYS A 38 15.679 13.472 4.095 1.00 0.00 C ATOM 717 CD LYS A 38 16.499 13.406 5.379 1.00 0.00 C ATOM 718 CE LYS A 38 16.902 14.800 5.858 1.00 0.00 C ATOM 719 NZ LYS A 38 17.894 14.694 6.942 1.00 0.00 N ATOM 0 H LYS A 38 13.208 13.309 2.101 1.00 0.00 H new ATOM 0 HA LYS A 38 15.245 12.976 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.242 11.356 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.715 11.783 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.094 14.224 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.656 13.774 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.921 12.906 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.393 12.805 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.317 15.372 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.023 15.341 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.162 15.647 7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.484 14.165 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.738 14.196 6.593 1.00 0.00 H new ATOM 733 N ALA A 39 14.255 10.197 0.690 1.00 0.00 N ATOM 734 CA ALA A 39 14.474 9.058 -0.175 1.00 0.00 C ATOM 735 C ALA A 39 15.117 9.505 -1.496 1.00 0.00 C ATOM 736 O ALA A 39 15.040 10.673 -1.884 1.00 0.00 O ATOM 737 CB ALA A 39 13.119 8.382 -0.422 1.00 0.00 C ATOM 0 H ALA A 39 13.270 10.384 0.877 1.00 0.00 H new ATOM 0 HA ALA A 39 15.157 8.350 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.256 7.518 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.696 8.057 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.440 9.090 -0.897 1.00 0.00 H new ATOM 743 N ARG A 40 15.701 8.548 -2.211 1.00 0.00 N ATOM 744 CA ARG A 40 16.367 8.670 -3.494 1.00 0.00 C ATOM 745 C ARG A 40 15.974 7.437 -4.283 1.00 0.00 C ATOM 746 O ARG A 40 16.719 6.469 -4.405 1.00 0.00 O ATOM 747 CB ARG A 40 17.881 8.752 -3.299 1.00 0.00 C ATOM 748 CG ARG A 40 18.696 8.860 -4.597 1.00 0.00 C ATOM 749 CD ARG A 40 18.183 9.914 -5.591 1.00 0.00 C ATOM 750 NE ARG A 40 19.226 10.254 -6.574 1.00 0.00 N ATOM 751 CZ ARG A 40 20.394 10.824 -6.246 1.00 0.00 C ATOM 752 NH1 ARG A 40 20.464 11.631 -5.196 1.00 0.00 N ATOM 753 NH2 ARG A 40 21.486 10.571 -6.954 1.00 0.00 N ATOM 0 H ARG A 40 15.719 7.586 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 40 16.075 9.577 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.106 9.616 -2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.211 7.868 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.730 9.093 -4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 40 18.700 7.888 -5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.300 9.536 -6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.878 10.811 -5.052 1.00 0.00 H new ATOM 0 HE ARG A 40 19.050 10.045 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 40 19.630 11.817 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.352 12.066 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.440 9.939 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 40 22.372 11.008 -6.699 1.00 0.00 H new ATOM 767 N VAL A 41 14.744 7.458 -4.750 1.00 0.00 N ATOM 768 CA VAL A 41 14.154 6.398 -5.537 1.00 0.00 C ATOM 769 C VAL A 41 13.437 7.045 -6.723 1.00 0.00 C ATOM 770 O VAL A 41 12.946 8.171 -6.581 1.00 0.00 O ATOM 771 CB VAL A 41 13.239 5.528 -4.643 1.00 0.00 C ATOM 772 CG1 VAL A 41 14.052 4.692 -3.639 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.229 6.347 -3.820 1.00 0.00 C ATOM 0 H VAL A 41 14.108 8.238 -4.587 1.00 0.00 H new ATOM 0 HA VAL A 41 14.904 5.715 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 41 12.704 4.891 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.374 4.095 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.730 4.032 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.629 5.356 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.620 5.674 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.765 7.035 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.585 6.913 -4.493 1.00 0.00 H new ATOM 783 N PRO A 42 13.402 6.402 -7.902 1.00 0.00 N ATOM 784 CA PRO A 42 12.709 6.973 -9.040 1.00 0.00 C ATOM 785 C PRO A 42 11.215 7.054 -8.699 1.00 0.00 C ATOM 786 O PRO A 42 10.685 6.268 -7.907 1.00 0.00 O ATOM 787 CB PRO A 42 13.026 6.077 -10.234 1.00 0.00 C ATOM 788 CG PRO A 42 13.418 4.741 -9.610 1.00 0.00 C ATOM 789 CD PRO A 42 13.948 5.097 -8.219 1.00 0.00 C ATOM 0 HA PRO A 42 13.023 7.987 -9.286 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.163 5.971 -10.892 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.837 6.488 -10.836 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.563 4.068 -9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.178 4.235 -10.205 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.638 4.356 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.038 5.118 -8.211 1.00 0.00 H new ATOM 797 N ASP A 43 10.542 8.006 -9.326 1.00 0.00 N ATOM 798 CA ASP A 43 9.130 8.275 -9.132 1.00 0.00 C ATOM 799 C ASP A 43 8.278 7.380 -10.022 1.00 0.00 C ATOM 800 O ASP A 43 8.605 7.156 -11.191 1.00 0.00 O ATOM 801 CB ASP A 43 8.881 9.741 -9.480 1.00 0.00 C ATOM 802 CG ASP A 43 7.468 10.169 -9.118 1.00 0.00 C ATOM 803 OD1 ASP A 43 7.063 9.950 -7.953 1.00 0.00 O ATOM 804 OD2 ASP A 43 6.809 10.838 -9.940 1.00 0.00 O ATOM 0 H ASP A 43 10.979 8.630 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 43 8.855 8.071 -8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.599 10.368 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.047 9.896 -10.546 1.00 0.00 H new ATOM 809 N LEU A 44 7.174 6.880 -9.474 1.00 0.00 N ATOM 810 CA LEU A 44 6.227 6.015 -10.147 1.00 0.00 C ATOM 811 C LEU A 44 4.833 6.587 -9.967 1.00 0.00 C ATOM 812 O LEU A 44 4.474 7.061 -8.886 1.00 0.00 O ATOM 813 CB LEU A 44 6.316 4.559 -9.663 1.00 0.00 C ATOM 814 CG LEU A 44 6.242 4.312 -8.142 1.00 0.00 C ATOM 815 CD1 LEU A 44 5.733 2.894 -7.871 1.00 0.00 C ATOM 816 CD2 LEU A 44 7.624 4.439 -7.494 1.00 0.00 C ATOM 0 H LEU A 44 6.910 7.078 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 44 6.472 5.983 -11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.510 3.997 -10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.254 4.139 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 44 5.568 5.058 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.683 2.725 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.740 2.775 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.414 2.171 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.541 4.260 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.301 3.706 -7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.015 5.442 -7.665 1.00 0.00 H new ATOM 828 N ASP A 45 4.059 6.539 -11.046 1.00 0.00 N ATOM 829 CA ASP A 45 2.689 7.022 -11.151 1.00 0.00 C ATOM 830 C ASP A 45 1.716 6.246 -10.266 1.00 0.00 C ATOM 831 O ASP A 45 0.890 6.858 -9.587 1.00 0.00 O ATOM 832 CB ASP A 45 2.217 6.955 -12.618 1.00 0.00 C ATOM 833 CG ASP A 45 2.135 5.538 -13.195 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.147 4.801 -13.114 1.00 0.00 O ATOM 835 OD2 ASP A 45 1.125 5.178 -13.839 1.00 0.00 O ATOM 0 H ASP A 45 4.392 6.138 -11.922 1.00 0.00 H new ATOM 0 HA ASP A 45 2.692 8.054 -10.801 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.234 7.421 -12.692 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.897 7.545 -13.232 1.00 0.00 H new ATOM 840 N LYS A 46 1.835 4.920 -10.209 1.00 0.00 N ATOM 841 CA LYS A 46 0.946 4.065 -9.425 1.00 0.00 C ATOM 842 C LYS A 46 1.225 4.101 -7.926 1.00 0.00 C ATOM 843 O LYS A 46 2.378 4.157 -7.488 1.00 0.00 O ATOM 844 CB LYS A 46 1.033 2.645 -9.981 1.00 0.00 C ATOM 845 CG LYS A 46 0.325 2.575 -11.343 1.00 0.00 C ATOM 846 CD LYS A 46 0.961 1.528 -12.258 1.00 0.00 C ATOM 847 CE LYS A 46 0.178 1.447 -13.559 1.00 0.00 C ATOM 848 NZ LYS A 46 0.429 2.595 -14.444 1.00 0.00 N ATOM 0 H LYS A 46 2.558 4.405 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.069 4.449 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.077 2.350 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.573 1.943 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.728 2.336 -11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.365 3.552 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.999 1.791 -12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.969 0.556 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.442 0.527 -14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.887 1.392 -13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.439 2.825 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.717 3.416 -13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.187 2.357 -15.115 1.00 0.00 H new ATOM 862 N ARG A 47 0.140 4.144 -7.149 1.00 0.00 N ATOM 863 CA ARG A 47 0.125 4.173 -5.685 1.00 0.00 C ATOM 864 C ARG A 47 -0.772 3.104 -5.061 1.00 0.00 C ATOM 865 O ARG A 47 -0.457 2.592 -3.985 1.00 0.00 O ATOM 866 CB ARG A 47 -0.263 5.576 -5.195 1.00 0.00 C ATOM 867 CG ARG A 47 -1.571 6.125 -5.809 1.00 0.00 C ATOM 868 CD ARG A 47 -1.342 7.322 -6.745 1.00 0.00 C ATOM 869 NE ARG A 47 -0.826 8.470 -5.990 1.00 0.00 N ATOM 870 CZ ARG A 47 -1.517 9.099 -5.040 1.00 0.00 C ATOM 871 NH1 ARG A 47 -2.843 9.032 -5.032 1.00 0.00 N ATOM 872 NH2 ARG A 47 -0.873 9.774 -4.104 1.00 0.00 N ATOM 0 H ARG A 47 -0.800 4.160 -7.545 1.00 0.00 H new ATOM 0 HA ARG A 47 1.136 3.936 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.366 5.554 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.549 6.266 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.068 5.328 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.245 6.423 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.637 7.048 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.277 7.592 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 47 0.113 8.805 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.331 8.500 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.374 9.513 -4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.146 9.811 -4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.395 10.258 -3.374 1.00 0.00 H new ATOM 886 N LYS A 48 -1.924 2.819 -5.675 1.00 0.00 N ATOM 887 CA LYS A 48 -2.882 1.838 -5.183 1.00 0.00 C ATOM 888 C LYS A 48 -2.319 0.448 -5.491 1.00 0.00 C ATOM 889 O LYS A 48 -2.095 0.136 -6.665 1.00 0.00 O ATOM 890 CB LYS A 48 -4.218 2.108 -5.906 1.00 0.00 C ATOM 891 CG LYS A 48 -5.182 3.080 -5.199 1.00 0.00 C ATOM 892 CD LYS A 48 -4.823 4.572 -5.090 1.00 0.00 C ATOM 893 CE LYS A 48 -5.999 5.241 -4.349 1.00 0.00 C ATOM 894 NZ LYS A 48 -5.816 6.668 -3.994 1.00 0.00 N ATOM 0 H LYS A 48 -2.217 3.273 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.052 1.901 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.999 2.502 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.731 1.157 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.143 3.014 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.333 2.708 -4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.890 4.710 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.683 5.012 -6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.891 5.153 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.191 4.681 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.521 6.941 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.861 6.810 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.937 7.255 -4.844 1.00 0.00 H new ATOM 908 N TYR A 49 -2.148 -0.426 -4.496 1.00 0.00 N ATOM 909 CA TYR A 49 -1.591 -1.775 -4.661 1.00 0.00 C ATOM 910 C TYR A 49 -2.445 -2.784 -3.873 1.00 0.00 C ATOM 911 O TYR A 49 -3.162 -2.397 -2.950 1.00 0.00 O ATOM 912 CB TYR A 49 -0.130 -1.732 -4.160 1.00 0.00 C ATOM 913 CG TYR A 49 0.903 -2.672 -4.772 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.827 -4.058 -4.552 1.00 0.00 C ATOM 915 CD2 TYR A 49 2.041 -2.151 -5.424 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.852 -4.916 -4.962 1.00 0.00 C ATOM 917 CE2 TYR A 49 3.082 -3.005 -5.842 1.00 0.00 C ATOM 918 CZ TYR A 49 2.997 -4.394 -5.598 1.00 0.00 C ATOM 919 OH TYR A 49 4.021 -5.227 -5.932 1.00 0.00 O ATOM 0 H TYR A 49 -2.398 -0.212 -3.530 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.604 -2.094 -5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.233 -0.714 -4.299 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.147 -1.921 -3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.040 -4.468 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.115 -1.089 -5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.767 -5.979 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.944 -2.597 -6.349 1.00 0.00 H new ATOM 0 HH TYR A 49 4.734 -4.712 -6.364 1.00 0.00 H new ATOM 929 N LEU A 50 -2.368 -4.077 -4.200 1.00 0.00 N ATOM 930 CA LEU A 50 -3.109 -5.169 -3.563 1.00 0.00 C ATOM 931 C LEU A 50 -2.246 -6.421 -3.424 1.00 0.00 C ATOM 932 O LEU A 50 -1.592 -6.810 -4.402 1.00 0.00 O ATOM 933 CB LEU A 50 -4.337 -5.490 -4.430 1.00 0.00 C ATOM 934 CG LEU A 50 -5.618 -4.955 -3.788 1.00 0.00 C ATOM 935 CD1 LEU A 50 -6.689 -4.755 -4.853 1.00 0.00 C ATOM 936 CD2 LEU A 50 -6.103 -5.920 -2.701 1.00 0.00 C ATOM 0 H LEU A 50 -1.760 -4.406 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.409 -4.857 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.212 -5.052 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.418 -6.568 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.411 -3.991 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.598 -4.374 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.334 -4.040 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.902 -5.707 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.016 -5.531 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.305 -6.895 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.334 -6.021 -1.935 1.00 0.00 H new ATOM 948 N VAL A 51 -2.291 -7.064 -2.245 1.00 0.00 N ATOM 949 CA VAL A 51 -1.530 -8.285 -1.915 1.00 0.00 C ATOM 950 C VAL A 51 -2.335 -9.213 -0.985 1.00 0.00 C ATOM 951 O VAL A 51 -3.227 -8.715 -0.301 1.00 0.00 O ATOM 952 CB VAL A 51 -0.202 -7.915 -1.217 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.810 -7.323 -2.205 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.379 -6.988 -0.003 1.00 0.00 C ATOM 0 H VAL A 51 -2.873 -6.741 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.329 -8.807 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 51 0.193 -8.855 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.731 -7.075 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.024 -8.052 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.395 -6.421 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.595 -6.772 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.848 -6.057 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.010 -7.477 0.739 1.00 0.00 H new ATOM 964 N PRO A 52 -2.060 -10.533 -0.932 1.00 0.00 N ATOM 965 CA PRO A 52 -2.770 -11.463 -0.063 1.00 0.00 C ATOM 966 C PRO A 52 -2.261 -11.348 1.373 1.00 0.00 C ATOM 967 O PRO A 52 -1.143 -10.891 1.602 1.00 0.00 O ATOM 968 CB PRO A 52 -2.465 -12.850 -0.624 1.00 0.00 C ATOM 969 CG PRO A 52 -1.062 -12.702 -1.185 1.00 0.00 C ATOM 970 CD PRO A 52 -1.050 -11.257 -1.690 1.00 0.00 C ATOM 0 HA PRO A 52 -3.840 -11.258 -0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.509 -13.615 0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.178 -13.137 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.302 -12.870 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.871 -13.413 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.067 -10.808 -1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.268 -11.220 -2.757 1.00 0.00 H new ATOM 978 N SER A 53 -3.043 -11.814 2.347 1.00 0.00 N ATOM 979 CA SER A 53 -2.644 -11.768 3.760 1.00 0.00 C ATOM 980 C SER A 53 -1.446 -12.680 4.054 1.00 0.00 C ATOM 981 O SER A 53 -0.651 -12.404 4.948 1.00 0.00 O ATOM 982 CB SER A 53 -3.823 -12.212 4.642 1.00 0.00 C ATOM 983 OG SER A 53 -4.656 -13.141 3.967 1.00 0.00 O ATOM 0 H SER A 53 -3.960 -12.230 2.186 1.00 0.00 H new ATOM 0 HA SER A 53 -2.355 -10.741 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.443 -12.662 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.409 -11.341 4.933 1.00 0.00 H new ATOM 0 HG SER A 53 -5.395 -13.405 4.554 1.00 0.00 H new ATOM 989 N ASP A 54 -1.318 -13.755 3.280 1.00 0.00 N ATOM 990 CA ASP A 54 -0.279 -14.778 3.397 1.00 0.00 C ATOM 991 C ASP A 54 1.088 -14.341 2.875 1.00 0.00 C ATOM 992 O ASP A 54 2.048 -15.113 2.974 1.00 0.00 O ATOM 993 CB ASP A 54 -0.673 -16.032 2.596 1.00 0.00 C ATOM 994 CG ASP A 54 -2.030 -16.630 2.936 1.00 0.00 C ATOM 995 OD1 ASP A 54 -2.449 -16.610 4.116 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.682 -17.143 2.002 1.00 0.00 O ATOM 0 H ASP A 54 -1.967 -13.947 2.517 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.198 -14.972 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.662 -15.782 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.090 -16.795 2.752 1.00 0.00 H new ATOM 1001 N LEU A 55 1.176 -13.164 2.256 1.00 0.00 N ATOM 1002 CA LEU A 55 2.416 -12.654 1.700 1.00 0.00 C ATOM 1003 C LEU A 55 3.363 -12.199 2.806 1.00 0.00 C ATOM 1004 O LEU A 55 2.955 -11.419 3.668 1.00 0.00 O ATOM 1005 CB LEU A 55 2.091 -11.488 0.751 1.00 0.00 C ATOM 1006 CG LEU A 55 3.320 -10.879 0.057 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.003 -11.936 -0.810 1.00 0.00 C ATOM 1008 CD2 LEU A 55 2.903 -9.716 -0.845 1.00 0.00 C ATOM 0 H LEU A 55 0.381 -12.538 2.129 1.00 0.00 H new ATOM 0 HA LEU A 55 2.917 -13.448 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.394 -11.838 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.582 -10.706 1.315 1.00 0.00 H new ATOM 0 HG LEU A 55 4.003 -10.521 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.873 -11.498 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.320 -12.770 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.304 -12.294 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.785 -9.296 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.209 -10.076 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.417 -8.946 -0.245 1.00 0.00 H new ATOM 1020 N THR A 56 4.597 -12.699 2.814 1.00 0.00 N ATOM 1021 CA THR A 56 5.586 -12.281 3.796 1.00 0.00 C ATOM 1022 C THR A 56 6.073 -10.897 3.340 1.00 0.00 C ATOM 1023 O THR A 56 6.153 -10.632 2.132 1.00 0.00 O ATOM 1024 CB THR A 56 6.702 -13.330 3.922 1.00 0.00 C ATOM 1025 OG1 THR A 56 7.461 -13.036 5.072 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.647 -13.424 2.718 1.00 0.00 C ATOM 0 H THR A 56 4.933 -13.395 2.149 1.00 0.00 H new ATOM 0 HA THR A 56 5.175 -12.203 4.802 1.00 0.00 H new ATOM 0 HB THR A 56 6.202 -14.297 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.178 -13.697 5.169 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.398 -14.192 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.076 -13.684 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.140 -12.464 2.566 1.00 0.00 H new ATOM 1034 N VAL A 57 6.442 -10.007 4.267 1.00 0.00 N ATOM 1035 CA VAL A 57 6.892 -8.673 3.886 1.00 0.00 C ATOM 1036 C VAL A 57 8.122 -8.724 2.973 1.00 0.00 C ATOM 1037 O VAL A 57 8.216 -7.914 2.055 1.00 0.00 O ATOM 1038 CB VAL A 57 7.086 -7.768 5.113 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.749 -7.441 5.784 1.00 0.00 C ATOM 1040 CG2 VAL A 57 8.069 -8.320 6.151 1.00 0.00 C ATOM 0 H VAL A 57 6.437 -10.186 5.271 1.00 0.00 H new ATOM 0 HA VAL A 57 6.100 -8.215 3.294 1.00 0.00 H new ATOM 0 HB VAL A 57 7.531 -6.854 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.923 -6.799 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.102 -6.926 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.269 -8.364 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.149 -7.622 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.710 -9.282 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.049 -8.450 5.691 1.00 0.00 H new ATOM 1050 N GLY A 58 9.021 -9.705 3.139 1.00 0.00 N ATOM 1051 CA GLY A 58 10.221 -9.839 2.315 1.00 0.00 C ATOM 1052 C GLY A 58 9.904 -9.845 0.814 1.00 0.00 C ATOM 1053 O GLY A 58 10.588 -9.172 0.038 1.00 0.00 O ATOM 0 H GLY A 58 8.932 -10.428 3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.903 -9.018 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.737 -10.762 2.578 1.00 0.00 H new ATOM 1057 N GLN A 59 8.871 -10.585 0.398 1.00 0.00 N ATOM 1058 CA GLN A 59 8.444 -10.673 -0.997 1.00 0.00 C ATOM 1059 C GLN A 59 7.851 -9.337 -1.431 1.00 0.00 C ATOM 1060 O GLN A 59 8.219 -8.848 -2.497 1.00 0.00 O ATOM 1061 CB GLN A 59 7.414 -11.796 -1.165 1.00 0.00 C ATOM 1062 CG GLN A 59 8.020 -13.205 -1.199 1.00 0.00 C ATOM 1063 CD GLN A 59 8.720 -13.508 -2.525 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.943 -13.421 -2.636 1.00 0.00 O ATOM 1065 NE2 GLN A 59 7.979 -13.871 -3.556 1.00 0.00 N ATOM 0 H GLN A 59 8.302 -11.146 1.032 1.00 0.00 H new ATOM 0 HA GLN A 59 9.305 -10.901 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.696 -11.741 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.858 -11.629 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.734 -13.310 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.233 -13.940 -1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.966 -13.941 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.419 -14.081 -4.452 1.00 0.00 H new ATOM 1074 N PHE A 60 6.976 -8.716 -0.630 1.00 0.00 N ATOM 1075 CA PHE A 60 6.387 -7.432 -1.007 1.00 0.00 C ATOM 1076 C PHE A 60 7.507 -6.408 -1.230 1.00 0.00 C ATOM 1077 O PHE A 60 7.540 -5.727 -2.259 1.00 0.00 O ATOM 1078 CB PHE A 60 5.393 -6.950 0.062 1.00 0.00 C ATOM 1079 CG PHE A 60 4.847 -5.559 -0.205 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.175 -5.271 -1.411 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.078 -4.528 0.724 1.00 0.00 C ATOM 1082 CE1 PHE A 60 3.763 -3.958 -1.696 1.00 0.00 C ATOM 1083 CE2 PHE A 60 4.665 -3.217 0.440 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.019 -2.927 -0.774 1.00 0.00 C ATOM 0 H PHE A 60 6.665 -9.079 0.271 1.00 0.00 H new ATOM 0 HA PHE A 60 5.828 -7.550 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.562 -7.654 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.885 -6.959 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.976 -6.063 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.574 -4.746 1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.251 -3.741 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.844 -2.429 1.156 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.720 -1.914 -0.999 1.00 0.00 H new ATOM 1094 N TYR A 61 8.467 -6.355 -0.307 1.00 0.00 N ATOM 1095 CA TYR A 61 9.599 -5.452 -0.378 1.00 0.00 C ATOM 1096 C TYR A 61 10.420 -5.735 -1.642 1.00 0.00 C ATOM 1097 O TYR A 61 10.863 -4.802 -2.313 1.00 0.00 O ATOM 1098 CB TYR A 61 10.485 -5.651 0.859 1.00 0.00 C ATOM 1099 CG TYR A 61 9.910 -5.383 2.244 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.810 -4.529 2.460 1.00 0.00 C ATOM 1101 CD2 TYR A 61 10.528 -5.995 3.351 1.00 0.00 C ATOM 1102 CE1 TYR A 61 8.372 -4.254 3.769 1.00 0.00 C ATOM 1103 CE2 TYR A 61 10.119 -5.704 4.659 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.047 -4.813 4.879 1.00 0.00 C ATOM 1105 OH TYR A 61 8.650 -4.526 6.151 1.00 0.00 O ATOM 0 H TYR A 61 8.474 -6.950 0.521 1.00 0.00 H new ATOM 0 HA TYR A 61 9.235 -4.425 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.838 -6.682 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.361 -5.013 0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.301 -4.084 1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.330 -6.700 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.517 -3.613 3.926 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.623 -6.161 5.498 1.00 0.00 H new ATOM 0 HH TYR A 61 9.226 -4.998 6.788 1.00 0.00 H new ATOM 1115 N PHE A 62 10.622 -7.016 -1.985 1.00 0.00 N ATOM 1116 CA PHE A 62 11.376 -7.427 -3.165 1.00 0.00 C ATOM 1117 C PHE A 62 10.679 -6.941 -4.440 1.00 0.00 C ATOM 1118 O PHE A 62 11.323 -6.396 -5.339 1.00 0.00 O ATOM 1119 CB PHE A 62 11.573 -8.949 -3.194 1.00 0.00 C ATOM 1120 CG PHE A 62 12.524 -9.402 -4.285 1.00 0.00 C ATOM 1121 CD1 PHE A 62 13.911 -9.433 -4.040 1.00 0.00 C ATOM 1122 CD2 PHE A 62 12.034 -9.768 -5.554 1.00 0.00 C ATOM 1123 CE1 PHE A 62 14.800 -9.832 -5.052 1.00 0.00 C ATOM 1124 CE2 PHE A 62 12.923 -10.164 -6.567 1.00 0.00 C ATOM 1125 CZ PHE A 62 14.306 -10.198 -6.316 1.00 0.00 C ATOM 0 H PHE A 62 10.260 -7.799 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 62 12.363 -6.967 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.954 -9.279 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.607 -9.432 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.292 -9.149 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.972 -9.744 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.862 -9.857 -4.859 1.00 0.00 H new ATOM 0 HE2 PHE A 62 12.544 -10.442 -7.539 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.989 -10.505 -7.094 1.00 0.00 H new ATOM 1135 N LEU A 63 9.359 -7.121 -4.517 1.00 0.00 N ATOM 1136 CA LEU A 63 8.555 -6.707 -5.658 1.00 0.00 C ATOM 1137 C LEU A 63 8.707 -5.196 -5.857 1.00 0.00 C ATOM 1138 O LEU A 63 8.993 -4.753 -6.972 1.00 0.00 O ATOM 1139 CB LEU A 63 7.083 -7.135 -5.473 1.00 0.00 C ATOM 1140 CG LEU A 63 6.705 -8.520 -6.049 1.00 0.00 C ATOM 1141 CD1 LEU A 63 6.891 -8.559 -7.561 1.00 0.00 C ATOM 1142 CD2 LEU A 63 7.444 -9.708 -5.425 1.00 0.00 C ATOM 0 H LEU A 63 8.816 -7.565 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 63 8.908 -7.204 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.855 -7.132 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.445 -6.383 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 63 5.654 -8.637 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.617 -9.545 -7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.255 -7.805 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.934 -8.355 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.110 -10.632 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.517 -9.590 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.232 -9.748 -4.357 1.00 0.00 H new ATOM 1154 N ILE A 64 8.573 -4.411 -4.783 1.00 0.00 N ATOM 1155 CA ILE A 64 8.710 -2.957 -4.828 1.00 0.00 C ATOM 1156 C ILE A 64 10.134 -2.575 -5.258 1.00 0.00 C ATOM 1157 O ILE A 64 10.283 -1.831 -6.232 1.00 0.00 O ATOM 1158 CB ILE A 64 8.288 -2.332 -3.474 1.00 0.00 C ATOM 1159 CG1 ILE A 64 6.773 -2.506 -3.202 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.683 -0.845 -3.363 1.00 0.00 C ATOM 1161 CD1 ILE A 64 5.835 -1.661 -4.077 1.00 0.00 C ATOM 0 H ILE A 64 8.365 -4.773 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 64 8.036 -2.545 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 64 8.838 -2.880 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.517 -3.557 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.581 -2.264 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.365 -0.455 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.765 -0.748 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.199 -0.280 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.800 -1.862 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.051 -0.603 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.987 -1.917 -5.126 1.00 0.00 H new ATOM 1173 N ARG A 65 11.186 -3.085 -4.596 1.00 0.00 N ATOM 1174 CA ARG A 65 12.563 -2.731 -4.965 1.00 0.00 C ATOM 1175 C ARG A 65 12.841 -3.036 -6.433 1.00 0.00 C ATOM 1176 O ARG A 65 13.462 -2.214 -7.109 1.00 0.00 O ATOM 1177 CB ARG A 65 13.617 -3.298 -3.996 1.00 0.00 C ATOM 1178 CG ARG A 65 14.060 -4.744 -4.239 1.00 0.00 C ATOM 1179 CD ARG A 65 15.040 -5.222 -3.166 1.00 0.00 C ATOM 1180 NE ARG A 65 16.389 -4.658 -3.359 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.297 -4.408 -2.410 1.00 0.00 C ATOM 1182 NH1 ARG A 65 16.984 -4.486 -1.125 1.00 0.00 N ATOM 1183 NH2 ARG A 65 18.525 -4.075 -2.780 1.00 0.00 N ATOM 0 H ARG A 65 11.110 -3.735 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 65 12.657 -1.651 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.499 -2.659 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.222 -3.228 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.186 -5.396 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.528 -4.821 -5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.666 -4.939 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.096 -6.310 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 65 16.658 -4.435 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.037 -4.740 -0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.690 -4.292 -0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.760 -4.014 -3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.235 -3.880 -2.074 1.00 0.00 H new ATOM 1197 N LYS A 66 12.389 -4.187 -6.955 1.00 0.00 N ATOM 1198 CA LYS A 66 12.631 -4.482 -8.360 1.00 0.00 C ATOM 1199 C LYS A 66 11.851 -3.522 -9.255 1.00 0.00 C ATOM 1200 O LYS A 66 12.398 -3.113 -10.268 1.00 0.00 O ATOM 1201 CB LYS A 66 12.473 -5.967 -8.713 1.00 0.00 C ATOM 1202 CG LYS A 66 11.054 -6.469 -9.029 1.00 0.00 C ATOM 1203 CD LYS A 66 11.090 -7.878 -9.642 1.00 0.00 C ATOM 1204 CE LYS A 66 11.678 -7.886 -11.065 1.00 0.00 C ATOM 1205 NZ LYS A 66 10.667 -7.692 -12.122 1.00 0.00 N ATOM 0 H LYS A 66 11.873 -4.901 -6.440 1.00 0.00 H new ATOM 0 HA LYS A 66 13.686 -4.298 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.105 -6.178 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.862 -6.555 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.457 -6.481 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.567 -5.781 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.682 -8.534 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.079 -8.286 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.429 -7.100 -11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.190 -8.834 -11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.130 -7.708 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.962 -8.455 -12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.194 -6.776 -11.986 1.00 0.00 H new ATOM 1219 N ARG A 67 10.623 -3.112 -8.901 1.00 0.00 N ATOM 1220 CA ARG A 67 9.845 -2.180 -9.729 1.00 0.00 C ATOM 1221 C ARG A 67 10.570 -0.848 -9.860 1.00 0.00 C ATOM 1222 O ARG A 67 10.542 -0.263 -10.938 1.00 0.00 O ATOM 1223 CB ARG A 67 8.439 -1.929 -9.147 1.00 0.00 C ATOM 1224 CG ARG A 67 7.445 -3.062 -9.417 1.00 0.00 C ATOM 1225 CD ARG A 67 6.833 -3.004 -10.826 1.00 0.00 C ATOM 1226 NE ARG A 67 6.051 -4.216 -11.113 1.00 0.00 N ATOM 1227 CZ ARG A 67 5.233 -4.408 -12.155 1.00 0.00 C ATOM 1228 NH1 ARG A 67 4.971 -3.447 -13.031 1.00 0.00 N ATOM 1229 NH2 ARG A 67 4.656 -5.587 -12.337 1.00 0.00 N ATOM 0 H ARG A 67 10.149 -3.411 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 67 9.737 -2.643 -10.710 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.523 -1.781 -8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.043 -1.004 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.950 -4.019 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.645 -3.019 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.193 -2.126 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.626 -2.895 -11.566 1.00 0.00 H new ATOM 0 HE ARG A 67 6.141 -4.988 -10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.398 -2.527 -12.922 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.343 -3.628 -13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.835 -6.349 -11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.033 -5.733 -13.131 1.00 0.00 H new ATOM 1243 N ILE A 68 11.209 -0.356 -8.797 1.00 0.00 N ATOM 1244 CA ILE A 68 11.923 0.919 -8.875 1.00 0.00 C ATOM 1245 C ILE A 68 13.315 0.763 -9.516 1.00 0.00 C ATOM 1246 O ILE A 68 13.909 1.760 -9.918 1.00 0.00 O ATOM 1247 CB ILE A 68 11.929 1.625 -7.500 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.702 0.836 -6.430 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.475 1.883 -7.057 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.827 1.554 -5.084 1.00 0.00 C ATOM 0 H ILE A 68 11.247 -0.813 -7.886 1.00 0.00 H new ATOM 0 HA ILE A 68 11.384 1.582 -9.552 1.00 0.00 H new ATOM 0 HB ILE A 68 12.454 2.574 -7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.206 -0.122 -6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.702 0.619 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.473 2.381 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.978 2.517 -7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.945 0.934 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.386 0.928 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.352 2.499 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.833 1.747 -4.681 1.00 0.00 H new ATOM 1262 N HIS A 69 13.820 -0.464 -9.696 1.00 0.00 N ATOM 1263 CA HIS A 69 15.121 -0.772 -10.297 1.00 0.00 C ATOM 1264 C HIS A 69 16.302 -0.060 -9.615 1.00 0.00 C ATOM 1265 O HIS A 69 17.228 0.421 -10.287 1.00 0.00 O ATOM 1266 CB HIS A 69 15.088 -0.564 -11.820 1.00 0.00 C ATOM 1267 CG HIS A 69 14.051 -1.398 -12.513 1.00 0.00 C ATOM 1268 ND1 HIS A 69 14.180 -2.735 -12.796 1.00 0.00 N ATOM 1269 CD2 HIS A 69 12.818 -0.986 -12.934 1.00 0.00 C ATOM 1270 CE1 HIS A 69 13.030 -3.142 -13.345 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.183 -2.104 -13.494 1.00 0.00 N ATOM 0 H HIS A 69 13.312 -1.302 -9.415 1.00 0.00 H new ATOM 0 HA HIS A 69 15.306 -1.831 -10.117 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.898 0.488 -12.031 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.069 -0.800 -12.233 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.410 0.011 -12.851 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.811 -4.161 -13.629 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.261 -2.127 -13.929 1.00 0.00 H new ATOM 1279 N LEU A 70 16.260 0.040 -8.282 1.00 0.00 N ATOM 1280 CA LEU A 70 17.329 0.666 -7.503 1.00 0.00 C ATOM 1281 C LEU A 70 18.631 -0.125 -7.678 1.00 0.00 C ATOM 1282 O LEU A 70 18.617 -1.298 -8.087 1.00 0.00 O ATOM 1283 CB LEU A 70 16.943 0.895 -6.031 1.00 0.00 C ATOM 1284 CG LEU A 70 16.365 -0.267 -5.204 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.175 -1.561 -5.226 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.239 0.175 -3.746 1.00 0.00 C ATOM 0 H LEU A 70 15.487 -0.310 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 70 17.496 1.669 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.833 1.252 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.214 1.705 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 70 15.407 -0.496 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.678 -2.312 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.253 -1.924 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.173 -1.372 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.830 -0.642 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.222 0.446 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.575 1.037 -3.683 1.00 0.00 H new ATOM 1298 N ARG A 71 19.779 0.525 -7.474 1.00 0.00 N ATOM 1299 CA ARG A 71 21.069 -0.150 -7.630 1.00 0.00 C ATOM 1300 C ARG A 71 21.244 -1.165 -6.502 1.00 0.00 C ATOM 1301 O ARG A 71 20.596 -1.041 -5.466 1.00 0.00 O ATOM 1302 CB ARG A 71 22.201 0.889 -7.691 1.00 0.00 C ATOM 1303 CG ARG A 71 21.906 1.953 -8.760 1.00 0.00 C ATOM 1304 CD ARG A 71 23.184 2.636 -9.237 1.00 0.00 C ATOM 1305 NE ARG A 71 22.868 3.742 -10.146 1.00 0.00 N ATOM 1306 CZ ARG A 71 22.560 3.686 -11.445 1.00 0.00 C ATOM 1307 NH1 ARG A 71 22.532 2.534 -12.103 1.00 0.00 N ATOM 1308 NH2 ARG A 71 22.261 4.802 -12.097 1.00 0.00 N ATOM 0 H ARG A 71 19.842 1.506 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 71 21.104 -0.701 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.316 1.366 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.145 0.393 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 71 21.402 1.489 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 71 21.223 2.699 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 71 23.744 3.011 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.822 1.912 -9.744 1.00 0.00 H new ATOM 0 HE ARG A 71 22.886 4.675 -9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.749 1.664 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 71 22.294 2.519 -13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.267 5.696 -11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.025 4.766 -13.089 1.00 0.00 H new ATOM 1322 N PRO A 72 22.099 -2.186 -6.650 1.00 0.00 N ATOM 1323 CA PRO A 72 22.291 -3.165 -5.594 1.00 0.00 C ATOM 1324 C PRO A 72 22.991 -2.528 -4.385 1.00 0.00 C ATOM 1325 O PRO A 72 22.889 -3.064 -3.283 1.00 0.00 O ATOM 1326 CB PRO A 72 23.079 -4.308 -6.233 1.00 0.00 C ATOM 1327 CG PRO A 72 23.867 -3.625 -7.350 1.00 0.00 C ATOM 1328 CD PRO A 72 22.948 -2.484 -7.789 1.00 0.00 C ATOM 0 HA PRO A 72 21.352 -3.547 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.741 -4.790 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 72 22.417 -5.081 -6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 72 24.827 -3.252 -6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.076 -4.311 -8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 72 23.527 -1.609 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 72 22.351 -2.775 -8.653 1.00 0.00 H new ATOM 1336 N GLU A 73 23.680 -1.404 -4.580 1.00 0.00 N ATOM 1337 CA GLU A 73 24.391 -0.665 -3.547 1.00 0.00 C ATOM 1338 C GLU A 73 23.429 0.212 -2.742 1.00 0.00 C ATOM 1339 O GLU A 73 23.712 0.502 -1.577 1.00 0.00 O ATOM 1340 CB GLU A 73 25.435 0.224 -4.232 1.00 0.00 C ATOM 1341 CG GLU A 73 26.526 -0.624 -4.893 1.00 0.00 C ATOM 1342 CD GLU A 73 27.323 0.194 -5.897 1.00 0.00 C ATOM 1343 OE1 GLU A 73 26.838 0.396 -7.034 1.00 0.00 O ATOM 1344 OE2 GLU A 73 28.448 0.632 -5.573 1.00 0.00 O ATOM 0 H GLU A 73 23.759 -0.969 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 73 24.865 -1.367 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.950 0.849 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.884 0.895 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.195 -1.020 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.072 -1.479 -5.394 1.00 0.00 H new ATOM 1351 N ASP A 74 22.326 0.658 -3.350 1.00 0.00 N ATOM 1352 CA ASP A 74 21.325 1.495 -2.692 1.00 0.00 C ATOM 1353 C ASP A 74 20.613 0.653 -1.643 1.00 0.00 C ATOM 1354 O ASP A 74 20.531 -0.573 -1.774 1.00 0.00 O ATOM 1355 CB ASP A 74 20.264 2.001 -3.687 1.00 0.00 C ATOM 1356 CG ASP A 74 20.736 3.144 -4.578 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.309 4.133 -4.059 1.00 0.00 O ATOM 1358 OD2 ASP A 74 20.496 3.094 -5.808 1.00 0.00 O ATOM 0 H ASP A 74 22.103 0.445 -4.322 1.00 0.00 H new ATOM 0 HA ASP A 74 21.833 2.354 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.949 1.170 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.387 2.329 -3.129 1.00 0.00 H new ATOM 1363 N ALA A 75 20.127 1.283 -0.580 1.00 0.00 N ATOM 1364 CA ALA A 75 19.400 0.590 0.471 1.00 0.00 C ATOM 1365 C ALA A 75 17.919 0.927 0.308 1.00 0.00 C ATOM 1366 O ALA A 75 17.536 1.715 -0.561 1.00 0.00 O ATOM 1367 CB ALA A 75 19.950 0.972 1.841 1.00 0.00 C ATOM 0 H ALA A 75 20.227 2.286 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 75 19.524 -0.490 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.394 0.444 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.003 0.698 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.846 2.047 1.988 1.00 0.00 H new ATOM 1373 N LEU A 76 17.068 0.291 1.111 1.00 0.00 N ATOM 1374 CA LEU A 76 15.633 0.515 1.056 1.00 0.00 C ATOM 1375 C LEU A 76 15.031 0.075 2.383 1.00 0.00 C ATOM 1376 O LEU A 76 15.338 -1.025 2.854 1.00 0.00 O ATOM 1377 CB LEU A 76 15.058 -0.279 -0.132 1.00 0.00 C ATOM 1378 CG LEU A 76 13.599 0.067 -0.447 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.422 1.498 -0.974 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.044 -0.891 -1.502 1.00 0.00 C ATOM 0 H LEU A 76 17.356 -0.390 1.813 1.00 0.00 H new ATOM 0 HA LEU A 76 15.393 1.567 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.667 -0.089 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.132 -1.345 0.083 1.00 0.00 H new ATOM 0 HG LEU A 76 13.059 -0.024 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.367 1.683 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.776 2.208 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.997 1.621 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.007 -0.634 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.635 -0.809 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.095 -1.913 -1.128 1.00 0.00 H new ATOM 1392 N PHE A 77 14.152 0.883 2.966 1.00 0.00 N ATOM 1393 CA PHE A 77 13.496 0.630 4.239 1.00 0.00 C ATOM 1394 C PHE A 77 12.020 0.952 4.101 1.00 0.00 C ATOM 1395 O PHE A 77 11.641 1.883 3.383 1.00 0.00 O ATOM 1396 CB PHE A 77 14.164 1.469 5.335 1.00 0.00 C ATOM 1397 CG PHE A 77 15.668 1.292 5.390 1.00 0.00 C ATOM 1398 CD1 PHE A 77 16.237 0.241 6.133 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.495 2.118 4.605 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.622 0.011 6.079 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.874 1.872 4.540 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.440 0.814 5.268 1.00 0.00 C ATOM 0 H PHE A 77 13.867 1.768 2.545 1.00 0.00 H new ATOM 0 HA PHE A 77 13.593 -0.418 4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.935 2.521 5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.737 1.199 6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.609 -0.389 6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.067 2.941 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.059 -0.786 6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.504 2.500 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.500 0.618 5.205 1.00 0.00 H new ATOM 1412 N PHE A 78 11.186 0.159 4.763 1.00 0.00 N ATOM 1413 CA PHE A 78 9.743 0.293 4.731 1.00 0.00 C ATOM 1414 C PHE A 78 9.218 0.480 6.138 1.00 0.00 C ATOM 1415 O PHE A 78 9.736 -0.139 7.073 1.00 0.00 O ATOM 1416 CB PHE A 78 9.125 -0.996 4.172 1.00 0.00 C ATOM 1417 CG PHE A 78 9.505 -1.355 2.751 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.766 -1.916 2.467 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.581 -1.157 1.710 1.00 0.00 C ATOM 1420 CE1 PHE A 78 11.108 -2.248 1.145 1.00 0.00 C ATOM 1421 CE2 PHE A 78 8.916 -1.513 0.394 1.00 0.00 C ATOM 1422 CZ PHE A 78 10.182 -2.050 0.107 1.00 0.00 C ATOM 0 H PHE A 78 11.506 -0.612 5.349 1.00 0.00 H new ATOM 0 HA PHE A 78 9.483 1.149 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.409 -1.823 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.040 -0.907 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.471 -2.091 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.612 -0.730 1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.084 -2.656 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.198 -1.374 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.443 -2.310 -0.908 1.00 0.00 H new ATOM 1432 N PHE A 79 8.168 1.277 6.271 1.00 0.00 N ATOM 1433 CA PHE A 79 7.496 1.558 7.526 1.00 0.00 C ATOM 1434 C PHE A 79 6.007 1.419 7.225 1.00 0.00 C ATOM 1435 O PHE A 79 5.558 1.701 6.109 1.00 0.00 O ATOM 1436 CB PHE A 79 7.896 2.940 8.065 1.00 0.00 C ATOM 1437 CG PHE A 79 9.389 3.101 8.329 1.00 0.00 C ATOM 1438 CD1 PHE A 79 10.089 2.155 9.101 1.00 0.00 C ATOM 1439 CD2 PHE A 79 10.094 4.191 7.790 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.474 2.288 9.317 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.474 4.334 8.010 1.00 0.00 C ATOM 1442 CZ PHE A 79 12.168 3.384 8.775 1.00 0.00 C ATOM 0 H PHE A 79 7.747 1.762 5.478 1.00 0.00 H new ATOM 0 HA PHE A 79 7.779 0.870 8.322 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.581 3.701 7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.353 3.127 8.991 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.559 1.319 9.532 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.569 4.927 7.200 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.003 1.548 9.899 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.002 5.177 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.229 3.494 8.946 1.00 0.00 H new ATOM 1452 N VAL A 80 5.246 0.940 8.200 1.00 0.00 N ATOM 1453 CA VAL A 80 3.811 0.719 8.102 1.00 0.00 C ATOM 1454 C VAL A 80 3.227 1.170 9.427 1.00 0.00 C ATOM 1455 O VAL A 80 3.790 0.811 10.457 1.00 0.00 O ATOM 1456 CB VAL A 80 3.542 -0.769 7.781 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.268 -1.788 8.674 1.00 0.00 C ATOM 1458 CG2 VAL A 80 2.044 -1.079 7.805 1.00 0.00 C ATOM 0 H VAL A 80 5.625 0.686 9.112 1.00 0.00 H new ATOM 0 HA VAL A 80 3.342 1.283 7.296 1.00 0.00 H new ATOM 0 HB VAL A 80 3.956 -0.890 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.007 -2.798 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.345 -1.648 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.968 -1.642 9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.887 -2.133 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.643 -0.859 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.534 -0.466 7.062 1.00 0.00 H new ATOM 1468 N ASN A 81 2.153 1.971 9.409 1.00 0.00 N ATOM 1469 CA ASN A 81 1.491 2.493 10.614 1.00 0.00 C ATOM 1470 C ASN A 81 2.538 2.981 11.632 1.00 0.00 C ATOM 1471 O ASN A 81 2.508 2.633 12.813 1.00 0.00 O ATOM 1472 CB ASN A 81 0.548 1.415 11.172 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.583 2.000 12.009 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.450 2.239 13.202 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.743 2.196 11.405 1.00 0.00 N ATOM 0 H ASN A 81 1.712 2.280 8.543 1.00 0.00 H new ATOM 0 HA ASN A 81 0.882 3.364 10.373 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.125 0.845 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.121 0.716 11.781 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.540 2.550 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.841 1.993 10.410 1.00 0.00 H new ATOM 1482 N ASN A 82 3.527 3.743 11.137 1.00 0.00 N ATOM 1483 CA ASN A 82 4.654 4.304 11.890 1.00 0.00 C ATOM 1484 C ASN A 82 5.321 3.252 12.794 1.00 0.00 C ATOM 1485 O ASN A 82 5.703 3.552 13.925 1.00 0.00 O ATOM 1486 CB ASN A 82 4.233 5.593 12.629 1.00 0.00 C ATOM 1487 CG ASN A 82 3.975 6.734 11.657 1.00 0.00 C ATOM 1488 OD1 ASN A 82 2.845 7.173 11.452 1.00 0.00 O ATOM 1489 ND2 ASN A 82 5.012 7.225 10.998 1.00 0.00 N ATOM 0 H ASN A 82 3.561 3.996 10.149 1.00 0.00 H new ATOM 0 HA ASN A 82 5.430 4.599 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.333 5.401 13.213 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.014 5.882 13.332 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.876 7.971 10.316 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.947 6.857 11.172 1.00 0.00 H new ATOM 1496 N THR A 83 5.467 2.021 12.296 1.00 0.00 N ATOM 1497 CA THR A 83 6.045 0.871 12.974 1.00 0.00 C ATOM 1498 C THR A 83 7.025 0.127 12.047 1.00 0.00 C ATOM 1499 O THR A 83 6.892 0.157 10.817 1.00 0.00 O ATOM 1500 CB THR A 83 4.881 -0.016 13.471 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.997 0.756 14.270 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.338 -1.197 14.334 1.00 0.00 C ATOM 0 H THR A 83 5.164 1.793 11.349 1.00 0.00 H new ATOM 0 HA THR A 83 6.638 1.178 13.835 1.00 0.00 H new ATOM 0 HB THR A 83 4.402 -0.404 12.572 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.477 1.356 13.696 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.469 -1.776 14.648 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.008 -1.833 13.755 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.862 -0.823 15.214 1.00 0.00 H new ATOM 1510 N ILE A 84 8.001 -0.567 12.655 1.00 0.00 N ATOM 1511 CA ILE A 84 9.052 -1.349 12.001 1.00 0.00 C ATOM 1512 C ILE A 84 8.811 -2.847 12.294 1.00 0.00 C ATOM 1513 O ILE A 84 9.350 -3.374 13.271 1.00 0.00 O ATOM 1514 CB ILE A 84 10.466 -0.880 12.454 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.582 0.658 12.544 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.517 -1.464 11.487 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.976 1.200 12.881 1.00 0.00 C ATOM 0 H ILE A 84 8.078 -0.596 13.672 1.00 0.00 H new ATOM 0 HA ILE A 84 9.012 -1.193 10.923 1.00 0.00 H new ATOM 0 HB ILE A 84 10.644 -1.251 13.463 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.267 1.084 11.592 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.881 1.013 13.300 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.512 -1.142 11.794 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.465 -2.553 11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.317 -1.110 10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.944 2.289 12.919 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.293 0.812 13.849 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.684 0.885 12.115 1.00 0.00 H new ATOM 1529 N PRO A 85 7.991 -3.565 11.508 1.00 0.00 N ATOM 1530 CA PRO A 85 7.719 -4.985 11.734 1.00 0.00 C ATOM 1531 C PRO A 85 8.901 -5.891 11.325 1.00 0.00 C ATOM 1532 O PRO A 85 9.790 -5.457 10.581 1.00 0.00 O ATOM 1533 CB PRO A 85 6.493 -5.276 10.859 1.00 0.00 C ATOM 1534 CG PRO A 85 6.686 -4.333 9.677 1.00 0.00 C ATOM 1535 CD PRO A 85 7.269 -3.087 10.340 1.00 0.00 C ATOM 0 HA PRO A 85 7.557 -5.192 12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.461 -6.319 10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.562 -5.075 11.389 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.363 -4.750 8.931 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.745 -4.120 9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.934 -2.556 9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.481 -2.390 10.625 1.00 0.00 H new ATOM 1543 N PRO A 86 8.922 -7.165 11.761 1.00 0.00 N ATOM 1544 CA PRO A 86 9.968 -8.128 11.414 1.00 0.00 C ATOM 1545 C PRO A 86 9.852 -8.569 9.948 1.00 0.00 C ATOM 1546 O PRO A 86 8.764 -8.564 9.376 1.00 0.00 O ATOM 1547 CB PRO A 86 9.735 -9.326 12.340 1.00 0.00 C ATOM 1548 CG PRO A 86 8.251 -9.252 12.692 1.00 0.00 C ATOM 1549 CD PRO A 86 7.942 -7.762 12.654 1.00 0.00 C ATOM 0 HA PRO A 86 10.961 -7.695 11.533 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.979 -10.265 11.844 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.358 -9.266 13.232 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.642 -9.805 11.977 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.052 -9.677 13.676 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.929 -7.584 12.294 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.007 -7.326 13.651 1.00 0.00 H new ATOM 1557 N THR A 87 10.946 -9.061 9.363 1.00 0.00 N ATOM 1558 CA THR A 87 11.022 -9.529 7.974 1.00 0.00 C ATOM 1559 C THR A 87 10.148 -10.749 7.667 1.00 0.00 C ATOM 1560 O THR A 87 9.861 -11.016 6.497 1.00 0.00 O ATOM 1561 CB THR A 87 12.499 -9.805 7.643 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.185 -10.350 8.762 1.00 0.00 O ATOM 1563 CG2 THR A 87 13.199 -8.500 7.281 1.00 0.00 C ATOM 0 H THR A 87 11.834 -9.148 9.858 1.00 0.00 H new ATOM 0 HA THR A 87 10.617 -8.742 7.338 1.00 0.00 H new ATOM 0 HB THR A 87 12.519 -10.512 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.121 -10.517 8.523 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.245 -8.701 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.712 -8.055 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.141 -7.810 8.123 1.00 0.00 H new ATOM 1571 N SER A 88 9.732 -11.492 8.690 1.00 0.00 N ATOM 1572 CA SER A 88 8.872 -12.657 8.545 1.00 0.00 C ATOM 1573 C SER A 88 7.400 -12.291 8.778 1.00 0.00 C ATOM 1574 O SER A 88 6.553 -13.186 8.781 1.00 0.00 O ATOM 1575 CB SER A 88 9.336 -13.778 9.467 1.00 0.00 C ATOM 1576 OG SER A 88 10.717 -14.041 9.338 1.00 0.00 O ATOM 0 H SER A 88 9.989 -11.296 9.657 1.00 0.00 H new ATOM 0 HA SER A 88 8.948 -13.020 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.114 -13.511 10.500 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.773 -14.685 9.245 1.00 0.00 H new ATOM 0 HG SER A 88 10.971 -14.765 9.948 1.00 0.00 H new ATOM 1582 N ALA A 89 7.090 -11.023 9.109 1.00 0.00 N ATOM 1583 CA ALA A 89 5.710 -10.602 9.319 1.00 0.00 C ATOM 1584 C ALA A 89 4.917 -10.865 8.040 1.00 0.00 C ATOM 1585 O ALA A 89 5.453 -10.734 6.935 1.00 0.00 O ATOM 1586 CB ALA A 89 5.634 -9.106 9.646 1.00 0.00 C ATOM 0 H ALA A 89 7.780 -10.282 9.234 1.00 0.00 H new ATOM 0 HA ALA A 89 5.298 -11.164 10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.593 -8.819 9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.203 -8.903 10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.052 -8.531 8.820 1.00 0.00 H new ATOM 1592 N THR A 90 3.643 -11.203 8.192 1.00 0.00 N ATOM 1593 CA THR A 90 2.761 -11.470 7.075 1.00 0.00 C ATOM 1594 C THR A 90 1.871 -10.246 6.895 1.00 0.00 C ATOM 1595 O THR A 90 1.519 -9.569 7.870 1.00 0.00 O ATOM 1596 CB THR A 90 1.993 -12.775 7.329 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.310 -12.733 8.566 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.968 -13.955 7.363 1.00 0.00 C ATOM 0 H THR A 90 3.194 -11.299 9.103 1.00 0.00 H new ATOM 0 HA THR A 90 3.302 -11.627 6.142 1.00 0.00 H new ATOM 0 HB THR A 90 1.271 -12.895 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.828 -13.575 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.416 -14.878 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.489 -14.024 6.408 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.694 -13.804 8.162 1.00 0.00 H new ATOM 1606 N MET A 91 1.486 -9.964 5.650 1.00 0.00 N ATOM 1607 CA MET A 91 0.642 -8.824 5.328 1.00 0.00 C ATOM 1608 C MET A 91 -0.658 -8.848 6.131 1.00 0.00 C ATOM 1609 O MET A 91 -1.134 -7.785 6.505 1.00 0.00 O ATOM 1610 CB MET A 91 0.357 -8.782 3.820 1.00 0.00 C ATOM 1611 CG MET A 91 1.593 -8.411 2.981 1.00 0.00 C ATOM 1612 SD MET A 91 2.536 -6.930 3.460 1.00 0.00 S ATOM 1613 CE MET A 91 1.267 -5.645 3.332 1.00 0.00 C ATOM 0 H MET A 91 1.753 -10.523 4.839 1.00 0.00 H new ATOM 0 HA MET A 91 1.178 -7.916 5.605 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.013 -9.756 3.499 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.436 -8.060 3.626 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.275 -9.261 2.997 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.269 -8.281 1.948 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.674 -4.696 3.681 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.954 -5.545 2.293 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.408 -5.919 3.945 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.220 -10.027 6.415 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.452 -10.165 7.177 1.00 0.00 C ATOM 1625 C GLY A 92 -2.272 -9.828 8.654 1.00 0.00 C ATOM 1626 O GLY A 92 -3.207 -9.310 9.263 1.00 0.00 O ATOM 0 H GLY A 92 -0.823 -10.918 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.213 -9.512 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.819 -11.187 7.084 1.00 0.00 H new ATOM 1630 N GLN A 93 -1.124 -10.166 9.256 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.869 -9.877 10.662 1.00 0.00 C ATOM 1632 C GLN A 93 -0.697 -8.378 10.875 1.00 0.00 C ATOM 1633 O GLN A 93 -1.367 -7.814 11.740 1.00 0.00 O ATOM 1634 CB GLN A 93 0.367 -10.644 11.163 1.00 0.00 C ATOM 1635 CG GLN A 93 -0.014 -12.024 11.723 1.00 0.00 C ATOM 1636 CD GLN A 93 -0.861 -11.901 12.994 1.00 0.00 C ATOM 1637 OE1 GLN A 93 -0.494 -11.200 13.938 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -2.006 -12.553 13.051 1.00 0.00 N ATOM 0 H GLN A 93 -0.357 -10.643 8.782 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.730 -10.210 11.242 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.077 -10.766 10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.868 -10.062 11.936 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.567 -12.584 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.891 -12.592 11.941 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.303 -13.132 12.265 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -2.594 -12.479 13.881 1.00 0.00 H new ATOM 1647 N LEU A 94 0.167 -7.727 10.093 1.00 0.00 N ATOM 1648 CA LEU A 94 0.371 -6.287 10.237 1.00 0.00 C ATOM 1649 C LEU A 94 -0.921 -5.547 9.873 1.00 0.00 C ATOM 1650 O LEU A 94 -1.292 -4.615 10.578 1.00 0.00 O ATOM 1651 CB LEU A 94 1.642 -5.815 9.513 1.00 0.00 C ATOM 1652 CG LEU A 94 1.679 -6.093 7.998 1.00 0.00 C ATOM 1653 CD1 LEU A 94 1.369 -4.839 7.186 1.00 0.00 C ATOM 1654 CD2 LEU A 94 3.055 -6.611 7.571 1.00 0.00 C ATOM 0 H LEU A 94 0.728 -8.168 9.364 1.00 0.00 H new ATOM 0 HA LEU A 94 0.572 -6.035 11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.753 -4.742 9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.504 -6.297 9.975 1.00 0.00 H new ATOM 0 HG LEU A 94 0.916 -6.847 7.802 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.405 -5.076 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.374 -4.476 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.106 -4.068 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.056 -6.800 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.814 -5.866 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.276 -7.537 8.102 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.649 -5.984 8.835 1.00 0.00 N ATOM 1667 CA TYR A 95 -2.912 -5.367 8.436 1.00 0.00 C ATOM 1668 C TYR A 95 -3.902 -5.425 9.600 1.00 0.00 C ATOM 1669 O TYR A 95 -4.617 -4.451 9.816 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.514 -6.115 7.237 1.00 0.00 C ATOM 1671 CG TYR A 95 -4.998 -5.901 6.994 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.481 -4.687 6.471 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.898 -6.944 7.280 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.852 -4.531 6.195 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.266 -6.799 7.001 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.749 -5.596 6.440 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.063 -5.470 6.103 1.00 0.00 O ATOM 0 H TYR A 95 -1.375 -6.775 8.252 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.721 -4.330 8.158 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.973 -5.817 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.339 -7.182 7.375 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.797 -3.873 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.534 -7.862 7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.219 -3.597 5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.949 -7.607 7.215 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.541 -6.293 6.338 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.962 -6.558 10.308 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.845 -6.803 11.438 1.00 0.00 C ATOM 1689 C GLU A 96 -4.472 -5.978 12.667 1.00 0.00 C ATOM 1690 O GLU A 96 -5.342 -5.347 13.268 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.804 -8.307 11.758 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.493 -8.680 13.074 1.00 0.00 C ATOM 1693 CD GLU A 96 -5.708 -10.187 13.210 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.830 -11.000 12.844 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -6.818 -10.574 13.637 1.00 0.00 O ATOM 0 H GLU A 96 -3.368 -7.360 10.095 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.854 -6.494 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.277 -8.855 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.764 -8.632 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.891 -8.324 13.910 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.455 -8.171 13.135 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.197 -5.949 13.039 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.722 -5.223 14.214 1.00 0.00 C ATOM 1704 C ASP A 97 -2.848 -3.708 14.029 1.00 0.00 C ATOM 1705 O ASP A 97 -3.215 -2.985 14.954 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.266 -5.635 14.453 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.657 -4.942 15.665 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.348 -4.768 16.693 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.563 -4.657 15.629 1.00 0.00 O ATOM 0 H ASP A 97 -2.457 -6.432 12.530 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.334 -5.474 15.080 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.215 -6.715 14.592 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.675 -5.399 13.568 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.641 -3.240 12.802 1.00 0.00 N ATOM 1715 CA ASN A 98 -2.704 -1.850 12.359 1.00 0.00 C ATOM 1716 C ASN A 98 -4.071 -1.498 11.754 1.00 0.00 C ATOM 1717 O ASN A 98 -4.196 -0.435 11.146 1.00 0.00 O ATOM 1718 CB ASN A 98 -1.567 -1.546 11.366 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.152 -1.780 11.901 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.755 -2.079 11.129 1.00 0.00 O ATOM 1721 ND2 ASN A 98 0.094 -1.588 13.189 1.00 0.00 N ATOM 0 H ASN A 98 -2.407 -3.869 12.034 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.574 -1.221 13.240 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.708 -2.162 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.651 -0.506 11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.044 -1.688 13.547 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.666 -1.340 13.822 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.044 -2.419 11.749 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.369 -2.232 11.156 1.00 0.00 C ATOM 1730 C HIS A 99 -7.030 -0.873 11.401 1.00 0.00 C ATOM 1731 O HIS A 99 -7.195 -0.410 12.533 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.319 -3.405 11.446 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.970 -3.442 12.807 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.556 -2.801 13.952 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.138 -4.087 13.100 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.463 -3.039 14.910 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.440 -3.838 14.444 1.00 0.00 N ATOM 0 H HIS A 99 -4.924 -3.340 12.170 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.164 -2.227 10.086 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.108 -3.395 10.694 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.762 -4.332 11.312 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.724 -4.683 12.416 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.416 -2.645 15.914 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.241 -4.192 14.966 1.00 0.00 H new ATOM 1745 N GLU A 100 -7.438 -0.252 10.299 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.108 1.033 10.281 1.00 0.00 C ATOM 1747 C GLU A 100 -9.598 0.776 10.079 1.00 0.00 C ATOM 1748 O GLU A 100 -9.991 -0.302 9.612 1.00 0.00 O ATOM 1749 CB GLU A 100 -7.515 1.917 9.171 1.00 0.00 C ATOM 1750 CG GLU A 100 -6.010 2.199 9.350 1.00 0.00 C ATOM 1751 CD GLU A 100 -5.637 2.921 10.659 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -6.528 3.347 11.434 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -4.429 3.122 10.919 1.00 0.00 O ATOM 0 H GLU A 100 -7.305 -0.646 9.368 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.964 1.568 11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.674 1.433 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.054 2.864 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.470 1.253 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.665 2.801 8.509 1.00 0.00 H new ATOM 1760 N GLU A 101 -10.444 1.776 10.326 1.00 0.00 N ATOM 1761 CA GLU A 101 -11.882 1.588 10.174 1.00 0.00 C ATOM 1762 C GLU A 101 -12.239 1.542 8.682 1.00 0.00 C ATOM 1763 O GLU A 101 -13.183 0.844 8.301 1.00 0.00 O ATOM 1764 CB GLU A 101 -12.658 2.738 10.834 1.00 0.00 C ATOM 1765 CG GLU A 101 -12.637 2.813 12.365 1.00 0.00 C ATOM 1766 CD GLU A 101 -13.829 3.657 12.843 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -14.950 3.107 12.972 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -13.697 4.888 13.045 1.00 0.00 O ATOM 0 H GLU A 101 -10.163 2.709 10.627 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.157 0.651 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.265 3.677 10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.698 2.671 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.690 1.811 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.701 3.256 12.707 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.434 2.195 7.841 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.583 2.287 6.388 1.00 0.00 C ATOM 1777 C ASP A 102 -11.099 1.017 5.677 1.00 0.00 C ATOM 1778 O ASP A 102 -11.163 0.955 4.458 1.00 0.00 O ATOM 1779 CB ASP A 102 -10.776 3.487 5.844 1.00 0.00 C ATOM 1780 CG ASP A 102 -11.338 4.855 6.218 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -12.443 4.891 6.805 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -10.633 5.847 5.930 1.00 0.00 O ATOM 0 H ASP A 102 -10.615 2.702 8.175 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.647 2.416 6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.753 3.416 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.729 3.413 4.758 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.599 -0.004 6.389 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.092 -1.264 5.816 1.00 0.00 C ATOM 1789 C TYR A 103 -8.869 -1.089 4.887 1.00 0.00 C ATOM 1790 O TYR A 103 -8.490 -2.042 4.200 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.219 -2.081 5.139 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.319 -2.553 6.069 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.100 -3.677 6.886 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.546 -1.867 6.133 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.083 -4.102 7.793 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.537 -2.283 7.040 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.294 -3.386 7.892 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.180 -3.701 8.875 1.00 0.00 O ATOM 0 H TYR A 103 -10.534 0.023 7.407 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.725 -1.840 6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.666 -1.472 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.775 -2.951 4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.168 -4.217 6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.727 -1.021 5.486 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.913 -4.971 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.482 -1.762 7.086 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.964 -3.116 8.809 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.239 0.090 4.845 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.067 0.370 4.016 1.00 0.00 C ATOM 1810 C PHE A 104 -5.794 0.317 4.853 1.00 0.00 C ATOM 1811 O PHE A 104 -5.792 0.755 6.004 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.209 1.742 3.348 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.996 1.705 2.056 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.444 1.063 0.934 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.258 2.316 1.960 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -8.172 1.002 -0.265 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -9.938 2.336 0.730 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.403 1.665 -0.378 1.00 0.00 C ATOM 0 H PHE A 104 -8.538 0.892 5.399 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.000 -0.393 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.697 2.427 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.216 2.145 3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.462 0.618 0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -9.705 2.770 2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.783 0.443 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.873 2.869 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.937 1.658 -1.317 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.695 -0.137 4.239 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.389 -0.275 4.880 1.00 0.00 C ATOM 1830 C LEU A 105 -2.438 0.776 4.279 1.00 0.00 C ATOM 1831 O LEU A 105 -2.455 0.998 3.063 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.915 -1.721 4.628 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.118 -2.413 5.745 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.493 -3.686 5.159 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -1.033 -1.545 6.382 1.00 0.00 C ATOM 0 H LEU A 105 -4.693 -0.424 3.260 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.423 -0.101 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.793 -2.330 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.301 -1.721 3.727 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.816 -2.633 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.920 -4.199 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.282 -4.344 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.833 -3.420 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.522 -2.113 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.314 -1.244 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.488 -0.658 6.822 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.681 1.511 5.098 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.732 2.550 4.670 1.00 0.00 C ATOM 1849 C TYR A 106 0.722 2.105 4.837 1.00 0.00 C ATOM 1850 O TYR A 106 1.089 1.668 5.927 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.986 3.819 5.491 1.00 0.00 C ATOM 1852 CG TYR A 106 0.003 4.942 5.237 1.00 0.00 C ATOM 1853 CD1 TYR A 106 -0.215 5.864 4.196 1.00 0.00 C ATOM 1854 CD2 TYR A 106 1.121 5.091 6.079 1.00 0.00 C ATOM 1855 CE1 TYR A 106 0.677 6.937 4.001 1.00 0.00 C ATOM 1856 CE2 TYR A 106 2.014 6.158 5.890 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.795 7.094 4.854 1.00 0.00 C ATOM 1858 OH TYR A 106 2.636 8.158 4.699 1.00 0.00 O ATOM 0 H TYR A 106 -1.711 1.398 6.111 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.890 2.742 3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.991 4.181 5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.961 3.562 6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.069 5.749 3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.293 4.381 6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.507 7.641 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.871 6.264 6.539 1.00 0.00 H new ATOM 0 HH TYR A 106 3.350 8.111 5.369 1.00 0.00 H new ATOM 1868 N VAL A 107 1.558 2.223 3.800 1.00 0.00 N ATOM 1869 CA VAL A 107 2.977 1.856 3.850 1.00 0.00 C ATOM 1870 C VAL A 107 3.802 2.939 3.157 1.00 0.00 C ATOM 1871 O VAL A 107 3.351 3.529 2.171 1.00 0.00 O ATOM 1872 CB VAL A 107 3.248 0.458 3.251 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.442 -0.629 3.971 1.00 0.00 C ATOM 1874 CG2 VAL A 107 2.998 0.389 1.736 1.00 0.00 C ATOM 0 H VAL A 107 1.264 2.581 2.891 1.00 0.00 H new ATOM 0 HA VAL A 107 3.278 1.791 4.896 1.00 0.00 H new ATOM 0 HB VAL A 107 4.310 0.272 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.658 -1.599 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.717 -0.647 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.377 -0.415 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.207 -0.619 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.958 0.640 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.652 1.097 1.227 1.00 0.00 H new ATOM 1884 N ALA A 108 5.018 3.202 3.635 1.00 0.00 N ATOM 1885 CA ALA A 108 5.896 4.202 3.044 1.00 0.00 C ATOM 1886 C ALA A 108 7.241 3.578 2.666 1.00 0.00 C ATOM 1887 O ALA A 108 7.727 2.701 3.388 1.00 0.00 O ATOM 1888 CB ALA A 108 6.040 5.381 4.002 1.00 0.00 C ATOM 0 H ALA A 108 5.419 2.726 4.443 1.00 0.00 H new ATOM 0 HA ALA A 108 5.461 4.580 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.697 6.130 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.060 5.821 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.466 5.035 4.944 1.00 0.00 H new ATOM 1894 N TYR A 109 7.853 4.042 1.568 1.00 0.00 N ATOM 1895 CA TYR A 109 9.142 3.542 1.067 1.00 0.00 C ATOM 1896 C TYR A 109 10.198 4.658 1.025 1.00 0.00 C ATOM 1897 O TYR A 109 9.907 5.758 0.541 1.00 0.00 O ATOM 1898 CB TYR A 109 8.956 2.843 -0.306 1.00 0.00 C ATOM 1899 CG TYR A 109 8.694 3.690 -1.543 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.493 4.406 -1.678 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.628 3.710 -2.601 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.257 5.208 -2.807 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.391 4.491 -3.747 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.230 5.289 -3.823 1.00 0.00 C ATOM 1905 OH TYR A 109 8.017 6.104 -4.884 1.00 0.00 O ATOM 0 H TYR A 109 7.460 4.788 0.993 1.00 0.00 H new ATOM 0 HA TYR A 109 9.519 2.792 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.852 2.252 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.127 2.142 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.742 4.339 -0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.531 3.122 -2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.333 5.760 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.095 4.480 -4.566 1.00 0.00 H new ATOM 0 HH TYR A 109 8.780 6.050 -5.497 1.00 0.00 H new ATOM 1915 N SER A 110 11.411 4.369 1.520 1.00 0.00 N ATOM 1916 CA SER A 110 12.536 5.303 1.571 1.00 0.00 C ATOM 1917 C SER A 110 13.885 4.578 1.425 1.00 0.00 C ATOM 1918 O SER A 110 14.079 3.483 1.946 1.00 0.00 O ATOM 1919 CB SER A 110 12.502 6.136 2.869 1.00 0.00 C ATOM 1920 OG SER A 110 11.749 5.528 3.912 1.00 0.00 O ATOM 0 H SER A 110 11.638 3.452 1.906 1.00 0.00 H new ATOM 0 HA SER A 110 12.434 5.981 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.523 6.298 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.080 7.117 2.651 1.00 0.00 H new ATOM 0 HG SER A 110 11.767 6.102 4.706 1.00 0.00 H new ATOM 1926 N ASP A 111 14.820 5.217 0.721 1.00 0.00 N ATOM 1927 CA ASP A 111 16.194 4.786 0.398 1.00 0.00 C ATOM 1928 C ASP A 111 17.153 4.797 1.598 1.00 0.00 C ATOM 1929 O ASP A 111 18.153 4.080 1.599 1.00 0.00 O ATOM 1930 CB ASP A 111 16.727 5.734 -0.707 1.00 0.00 C ATOM 1931 CG ASP A 111 18.096 6.392 -0.446 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.117 7.366 0.339 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.100 6.079 -1.127 1.00 0.00 O ATOM 0 H ASP A 111 14.623 6.135 0.322 1.00 0.00 H new ATOM 0 HA ASP A 111 16.152 3.747 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.791 5.171 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.993 6.524 -0.862 1.00 0.00 H new ATOM 1938 N GLU A 112 16.859 5.581 2.634 1.00 0.00 N ATOM 1939 CA GLU A 112 17.703 5.694 3.814 1.00 0.00 C ATOM 1940 C GLU A 112 16.824 5.757 5.049 1.00 0.00 C ATOM 1941 O GLU A 112 15.681 6.210 4.969 1.00 0.00 O ATOM 1942 CB GLU A 112 18.601 6.926 3.634 1.00 0.00 C ATOM 1943 CG GLU A 112 19.585 7.158 4.784 1.00 0.00 C ATOM 1944 CD GLU A 112 20.707 8.106 4.363 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.398 9.273 4.019 1.00 0.00 O ATOM 1946 OE2 GLU A 112 21.889 7.685 4.335 1.00 0.00 O ATOM 0 H GLU A 112 16.020 6.159 2.675 1.00 0.00 H new ATOM 0 HA GLU A 112 18.352 4.828 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.163 6.820 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.971 7.809 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 112 19.056 7.573 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 112 20.009 6.206 5.102 1.00 0.00 H new ATOM 1953 N SER A 113 17.329 5.254 6.172 1.00 0.00 N ATOM 1954 CA SER A 113 16.633 5.218 7.447 1.00 0.00 C ATOM 1955 C SER A 113 16.506 6.646 7.999 1.00 0.00 C ATOM 1956 O SER A 113 17.453 7.164 8.597 1.00 0.00 O ATOM 1957 CB SER A 113 17.382 4.243 8.383 1.00 0.00 C ATOM 1958 OG SER A 113 18.805 4.373 8.337 1.00 0.00 O ATOM 0 H SER A 113 18.264 4.848 6.217 1.00 0.00 H new ATOM 0 HA SER A 113 15.614 4.844 7.346 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.045 4.407 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.112 3.221 8.118 1.00 0.00 H new ATOM 0 HG SER A 113 19.212 3.729 8.953 1.00 0.00 H new ATOM 1964 N VAL A 114 15.352 7.304 7.822 1.00 0.00 N ATOM 1965 CA VAL A 114 15.133 8.663 8.319 1.00 0.00 C ATOM 1966 C VAL A 114 13.638 8.947 8.497 1.00 0.00 C ATOM 1967 O VAL A 114 12.803 8.424 7.751 1.00 0.00 O ATOM 1968 CB VAL A 114 15.739 9.756 7.382 1.00 0.00 C ATOM 1969 CG1 VAL A 114 16.455 10.802 8.244 1.00 0.00 C ATOM 1970 CG2 VAL A 114 16.728 9.322 6.289 1.00 0.00 C ATOM 0 H VAL A 114 14.549 6.909 7.332 1.00 0.00 H new ATOM 0 HA VAL A 114 15.645 8.714 9.280 1.00 0.00 H new ATOM 0 HB VAL A 114 14.867 10.118 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.883 11.572 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.742 11.258 8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.250 10.321 8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 114 17.056 10.196 5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.592 8.842 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.239 8.619 5.614 1.00 0.00 H new ATOM 1980 N TYR A 115 13.300 9.679 9.559 1.00 0.00 N ATOM 1981 CA TYR A 115 11.952 10.135 9.895 1.00 0.00 C ATOM 1982 C TYR A 115 11.861 11.587 9.440 1.00 0.00 C ATOM 1983 O TYR A 115 10.781 12.055 9.034 1.00 0.00 O ATOM 1984 CB TYR A 115 11.670 9.958 11.391 1.00 0.00 C ATOM 1985 CG TYR A 115 10.272 10.346 11.853 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.126 9.914 11.154 1.00 0.00 C ATOM 1987 CD2 TYR A 115 10.112 11.144 13.000 1.00 0.00 C ATOM 1988 CE1 TYR A 115 7.840 10.295 11.577 1.00 0.00 C ATOM 1989 CE2 TYR A 115 8.834 11.542 13.419 1.00 0.00 C ATOM 1990 CZ TYR A 115 7.690 11.130 12.705 1.00 0.00 C ATOM 1991 OH TYR A 115 6.448 11.498 13.121 1.00 0.00 O ATOM 0 H TYR A 115 13.994 9.985 10.242 1.00 0.00 H new ATOM 0 HA TYR A 115 11.188 9.543 9.391 1.00 0.00 H new ATOM 0 HB2 TYR A 115 11.842 8.914 11.653 1.00 0.00 H new ATOM 0 HB3 TYR A 115 12.394 10.550 11.950 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.237 9.284 10.284 1.00 0.00 H new ATOM 0 HD2 TYR A 115 10.980 11.453 13.563 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.969 9.949 11.040 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.726 12.167 14.293 1.00 0.00 H new ATOM 0 HH TYR A 115 6.525 12.072 13.911 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -26.112 7.767 -2.652 1.00 0.00 N ATOM 2003 CA GLY B 722 -26.572 7.525 -4.030 1.00 0.00 C ATOM 2004 C GLY B 722 -26.457 6.057 -4.414 1.00 0.00 C ATOM 2005 O GLY B 722 -26.117 5.217 -3.583 1.00 0.00 O ATOM 0 HA2 GLY B 722 -27.609 7.847 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -25.984 8.129 -4.721 1.00 0.00 H new ATOM 2009 N ALA B 723 -26.776 5.731 -5.666 1.00 0.00 N ATOM 2010 CA ALA B 723 -26.744 4.388 -6.236 1.00 0.00 C ATOM 2011 C ALA B 723 -25.367 4.033 -6.818 1.00 0.00 C ATOM 2012 O ALA B 723 -24.462 4.878 -6.877 1.00 0.00 O ATOM 2013 CB ALA B 723 -27.799 4.339 -7.349 1.00 0.00 C ATOM 0 H ALA B 723 -27.078 6.432 -6.342 1.00 0.00 H new ATOM 0 HA ALA B 723 -26.950 3.663 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -27.805 3.347 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -28.782 4.552 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -27.561 5.083 -8.109 1.00 0.00 H new ATOM 2019 N MET B 724 -25.160 2.745 -7.114 1.00 0.00 N ATOM 2020 CA MET B 724 -23.948 2.192 -7.722 1.00 0.00 C ATOM 2021 C MET B 724 -24.344 1.425 -8.989 1.00 0.00 C ATOM 2022 O MET B 724 -25.413 0.808 -9.014 1.00 0.00 O ATOM 2023 CB MET B 724 -23.099 1.367 -6.737 1.00 0.00 C ATOM 2024 CG MET B 724 -23.665 0.020 -6.281 1.00 0.00 C ATOM 2025 SD MET B 724 -25.092 0.088 -5.171 1.00 0.00 S ATOM 2026 CE MET B 724 -25.300 -1.687 -4.879 1.00 0.00 C ATOM 0 H MET B 724 -25.864 2.030 -6.928 1.00 0.00 H new ATOM 0 HA MET B 724 -23.284 3.009 -8.005 1.00 0.00 H new ATOM 0 HB2 MET B 724 -22.128 1.186 -7.198 1.00 0.00 H new ATOM 0 HB3 MET B 724 -22.923 1.977 -5.851 1.00 0.00 H new ATOM 0 HG2 MET B 724 -23.946 -0.551 -7.166 1.00 0.00 H new ATOM 0 HG3 MET B 724 -22.870 -0.535 -5.783 1.00 0.00 H new ATOM 0 HE1 MET B 724 -26.144 -1.849 -4.208 1.00 0.00 H new ATOM 0 HE2 MET B 724 -25.488 -2.192 -5.827 1.00 0.00 H new ATOM 0 HE3 MET B 724 -24.394 -2.090 -4.426 1.00 0.00 H new ATOM 2036 N GLY B 725 -23.504 1.402 -10.023 1.00 0.00 N ATOM 2037 CA GLY B 725 -23.773 0.712 -11.286 1.00 0.00 C ATOM 2038 C GLY B 725 -22.559 0.020 -11.908 1.00 0.00 C ATOM 2039 O GLY B 725 -22.672 -0.488 -13.022 1.00 0.00 O ATOM 0 H GLY B 725 -22.599 1.872 -10.007 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -24.552 -0.032 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -24.169 1.433 -12.001 1.00 0.00 H new ATOM 2043 N SER B 726 -21.412 -0.014 -11.229 1.00 0.00 N ATOM 2044 CA SER B 726 -20.195 -0.633 -11.746 1.00 0.00 C ATOM 2045 C SER B 726 -20.232 -2.160 -11.647 1.00 0.00 C ATOM 2046 O SER B 726 -20.995 -2.718 -10.857 1.00 0.00 O ATOM 2047 CB SER B 726 -19.020 -0.092 -10.921 1.00 0.00 C ATOM 2048 OG SER B 726 -18.984 1.323 -11.001 1.00 0.00 O ATOM 0 H SER B 726 -21.302 0.390 -10.299 1.00 0.00 H new ATOM 0 HA SER B 726 -20.093 -0.389 -12.803 1.00 0.00 H new ATOM 0 HB2 SER B 726 -19.121 -0.403 -9.881 1.00 0.00 H new ATOM 0 HB3 SER B 726 -18.083 -0.510 -11.290 1.00 0.00 H new ATOM 0 HG SER B 726 -18.233 1.662 -10.471 1.00 0.00 H new ATOM 2054 N ALA B 727 -19.383 -2.829 -12.432 1.00 0.00 N ATOM 2055 CA ALA B 727 -19.244 -4.286 -12.477 1.00 0.00 C ATOM 2056 C ALA B 727 -17.822 -4.732 -12.150 1.00 0.00 C ATOM 2057 O ALA B 727 -17.615 -5.897 -11.818 1.00 0.00 O ATOM 2058 CB ALA B 727 -19.605 -4.807 -13.864 1.00 0.00 C ATOM 0 H ALA B 727 -18.751 -2.353 -13.076 1.00 0.00 H new ATOM 0 HA ALA B 727 -19.922 -4.694 -11.727 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -19.498 -5.892 -13.885 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -20.636 -4.540 -14.096 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -18.940 -4.362 -14.604 1.00 0.00 H new ATOM 2064 N SER B 728 -16.838 -3.848 -12.310 1.00 0.00 N ATOM 2065 CA SER B 728 -15.450 -4.137 -12.014 1.00 0.00 C ATOM 2066 C SER B 728 -15.183 -3.660 -10.589 1.00 0.00 C ATOM 2067 O SER B 728 -15.965 -2.879 -10.031 1.00 0.00 O ATOM 2068 CB SER B 728 -14.551 -3.402 -13.017 1.00 0.00 C ATOM 2069 OG SER B 728 -13.271 -4.001 -13.076 1.00 0.00 O ATOM 0 H SER B 728 -16.993 -2.900 -12.654 1.00 0.00 H new ATOM 0 HA SER B 728 -15.238 -5.203 -12.095 1.00 0.00 H new ATOM 0 HB2 SER B 728 -15.011 -3.418 -14.005 1.00 0.00 H new ATOM 0 HB3 SER B 728 -14.455 -2.356 -12.727 1.00 0.00 H new ATOM 0 HG SER B 728 -12.714 -3.519 -13.722 1.00 0.00 H new ATOM 2075 N SER B 729 -14.104 -4.155 -9.994 1.00 0.00 N ATOM 2076 CA SER B 729 -13.683 -3.777 -8.664 1.00 0.00 C ATOM 2077 C SER B 729 -12.904 -2.450 -8.800 1.00 0.00 C ATOM 2078 O SER B 729 -12.825 -1.883 -9.895 1.00 0.00 O ATOM 2079 CB SER B 729 -12.975 -4.964 -8.010 1.00 0.00 C ATOM 2080 OG SER B 729 -11.819 -5.378 -8.706 1.00 0.00 O ATOM 0 H SER B 729 -13.492 -4.841 -10.435 1.00 0.00 H new ATOM 0 HA SER B 729 -14.494 -3.563 -7.968 1.00 0.00 H new ATOM 0 HB2 SER B 729 -12.700 -4.697 -6.990 1.00 0.00 H new ATOM 0 HB3 SER B 729 -13.670 -5.801 -7.944 1.00 0.00 H new ATOM 0 HG SER B 729 -11.411 -6.137 -8.240 1.00 0.00 H new ATOM 2086 N GLU B 730 -12.462 -1.832 -7.707 1.00 0.00 N ATOM 2087 CA GLU B 730 -11.736 -0.564 -7.773 1.00 0.00 C ATOM 2088 C GLU B 730 -10.427 -0.725 -8.565 1.00 0.00 C ATOM 2089 O GLU B 730 -9.801 -1.783 -8.489 1.00 0.00 O ATOM 2090 CB GLU B 730 -11.531 -0.023 -6.348 1.00 0.00 C ATOM 2091 CG GLU B 730 -11.296 1.492 -6.371 1.00 0.00 C ATOM 2092 CD GLU B 730 -12.502 2.252 -6.925 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -13.644 1.999 -6.466 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -12.360 3.045 -7.879 1.00 0.00 O ATOM 0 H GLU B 730 -12.594 -2.190 -6.761 1.00 0.00 H new ATOM 0 HA GLU B 730 -12.319 0.177 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -12.405 -0.251 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -10.680 -0.521 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -11.081 1.841 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -10.418 1.713 -6.978 1.00 0.00 H new ATOM 2101 N ASP B 731 -10.003 0.303 -9.310 1.00 0.00 N ATOM 2102 CA ASP B 731 -8.786 0.268 -10.134 1.00 0.00 C ATOM 2103 C ASP B 731 -7.542 0.261 -9.239 1.00 0.00 C ATOM 2104 O ASP B 731 -7.176 1.299 -8.680 1.00 0.00 O ATOM 2105 CB ASP B 731 -8.776 1.480 -11.089 1.00 0.00 C ATOM 2106 CG ASP B 731 -9.906 1.429 -12.118 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -10.113 0.351 -12.729 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -10.623 2.441 -12.288 1.00 0.00 O ATOM 0 H ASP B 731 -10.500 1.193 -9.359 1.00 0.00 H new ATOM 0 HA ASP B 731 -8.775 -0.645 -10.730 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -8.862 2.397 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -7.819 1.520 -11.608 1.00 0.00 H new ATOM 2113 N TYR B 732 -6.868 -0.890 -9.114 1.00 0.00 N ATOM 2114 CA TYR B 732 -5.677 -1.092 -8.279 1.00 0.00 C ATOM 2115 C TYR B 732 -4.678 -2.034 -8.962 1.00 0.00 C ATOM 2116 O TYR B 732 -5.028 -2.802 -9.865 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.087 -1.732 -6.927 1.00 0.00 C ATOM 2118 CG TYR B 732 -6.566 -0.804 -5.821 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.708 -0.006 -6.004 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -5.876 -0.737 -4.591 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.081 0.935 -5.041 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -6.258 0.196 -3.607 1.00 0.00 C ATOM 2123 CZ TYR B 732 -7.346 1.067 -3.855 1.00 0.00 C ATOM 2124 OH TYR B 732 -7.695 2.081 -3.026 1.00 0.00 O ATOM 0 H TYR B 732 -7.148 -1.737 -9.610 1.00 0.00 H new ATOM 0 HA TYR B 732 -5.213 -0.118 -8.123 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.879 -2.455 -7.125 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.232 -2.292 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -8.303 -0.121 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -5.049 -1.406 -4.403 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -8.942 1.565 -5.212 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -5.724 0.246 -2.669 1.00 0.00 H new ATOM 0 HH TYR B 732 -8.218 1.726 -2.277 1.00 0.00 H new ATOM 2134 N ILE B 733 -3.441 -2.035 -8.460 1.00 0.00 N ATOM 2135 CA ILE B 733 -2.347 -2.859 -8.952 1.00 0.00 C ATOM 2136 C ILE B 733 -2.280 -4.123 -8.083 1.00 0.00 C ATOM 2137 O ILE B 733 -1.716 -4.099 -6.990 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.060 -2.000 -8.931 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -1.184 -0.708 -9.774 1.00 0.00 C ATOM 2140 CG2 ILE B 733 0.191 -2.776 -9.344 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -1.564 -0.918 -11.244 1.00 0.00 C ATOM 0 H ILE B 733 -3.170 -1.442 -7.676 1.00 0.00 H new ATOM 0 HA ILE B 733 -2.485 -3.193 -9.980 1.00 0.00 H new ATOM 0 HB ILE B 733 -0.942 -1.713 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -1.931 -0.063 -9.312 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -0.234 -0.175 -9.734 1.00 0.00 H new ATOM 0 HG21 ILE B 733 1.057 -2.116 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE B 733 0.343 -3.612 -8.661 1.00 0.00 H new ATOM 0 HG23 ILE B 733 0.066 -3.155 -10.358 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -1.625 0.048 -11.746 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -0.807 -1.533 -11.731 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -2.531 -1.418 -11.302 1.00 0.00 H new ATOM 2153 N ILE B 734 -2.907 -5.217 -8.523 1.00 0.00 N ATOM 2154 CA ILE B 734 -2.911 -6.493 -7.806 1.00 0.00 C ATOM 2155 C ILE B 734 -1.645 -7.233 -8.249 1.00 0.00 C ATOM 2156 O ILE B 734 -1.545 -7.575 -9.432 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.195 -7.313 -8.108 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.508 -6.536 -7.869 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.209 -8.600 -7.269 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.077 -5.925 -9.149 1.00 0.00 C ATOM 0 H ILE B 734 -3.432 -5.241 -9.397 1.00 0.00 H new ATOM 0 HA ILE B 734 -2.914 -6.339 -6.727 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.156 -7.543 -9.173 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.248 -7.207 -7.433 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.329 -5.744 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -5.113 -9.167 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.334 -9.203 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.189 -8.344 -6.210 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -6.999 -5.392 -8.919 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -5.352 -5.230 -9.574 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.286 -6.717 -9.869 1.00 0.00 H new ATOM 2172 N ILE B 735 -0.677 -7.448 -7.348 1.00 0.00 N ATOM 2173 CA ILE B 735 0.575 -8.144 -7.680 1.00 0.00 C ATOM 2174 C ILE B 735 0.946 -9.096 -6.548 1.00 0.00 C ATOM 2175 O ILE B 735 1.288 -8.649 -5.451 1.00 0.00 O ATOM 2176 CB ILE B 735 1.738 -7.156 -7.963 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.455 -6.303 -9.213 1.00 0.00 C ATOM 2178 CG2 ILE B 735 3.082 -7.901 -8.143 1.00 0.00 C ATOM 2179 CD1 ILE B 735 2.529 -5.244 -9.498 1.00 0.00 C ATOM 0 H ILE B 735 -0.738 -7.147 -6.375 1.00 0.00 H new ATOM 0 HA ILE B 735 0.410 -8.710 -8.597 1.00 0.00 H new ATOM 0 HB ILE B 735 1.813 -6.500 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE B 735 1.368 -6.961 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE B 735 0.492 -5.807 -9.092 1.00 0.00 H new ATOM 0 HG21 ILE B 735 3.875 -7.179 -8.340 1.00 0.00 H new ATOM 0 HG22 ILE B 735 3.314 -8.457 -7.235 1.00 0.00 H new ATOM 0 HG23 ILE B 735 3.005 -8.593 -8.982 1.00 0.00 H new ATOM 0 HD11 ILE B 735 2.259 -4.684 -10.393 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.601 -4.562 -8.651 1.00 0.00 H new ATOM 0 HD13 ILE B 735 3.491 -5.733 -9.652 1.00 0.00 H new ATOM 2191 N LEU B 736 0.921 -10.399 -6.819 1.00 0.00 N ATOM 2192 CA LEU B 736 1.273 -11.436 -5.859 1.00 0.00 C ATOM 2193 C LEU B 736 1.807 -12.678 -6.590 1.00 0.00 C ATOM 2194 O LEU B 736 1.074 -13.652 -6.789 1.00 0.00 O ATOM 2195 CB LEU B 736 0.088 -11.744 -4.933 1.00 0.00 C ATOM 2196 CG LEU B 736 -1.244 -12.094 -5.640 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -1.882 -13.339 -5.027 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -2.239 -10.929 -5.552 1.00 0.00 C ATOM 0 H LEU B 736 0.650 -10.768 -7.730 1.00 0.00 H new ATOM 0 HA LEU B 736 2.078 -11.078 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU B 736 0.364 -12.576 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -0.080 -10.881 -4.289 1.00 0.00 H new ATOM 0 HG LEU B 736 -1.009 -12.288 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -2.816 -13.561 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU B 736 -1.201 -14.184 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -2.085 -13.161 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -3.165 -11.203 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -2.448 -10.707 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -1.811 -10.048 -6.031 1.00 0.00 H new ATOM 2210 N PRO B 737 3.088 -12.690 -6.998 1.00 0.00 N ATOM 2211 CA PRO B 737 3.657 -13.838 -7.686 1.00 0.00 C ATOM 2212 C PRO B 737 3.892 -14.985 -6.711 1.00 0.00 C ATOM 2213 O PRO B 737 4.088 -14.774 -5.513 1.00 0.00 O ATOM 2214 CB PRO B 737 4.976 -13.355 -8.275 1.00 0.00 C ATOM 2215 CG PRO B 737 5.410 -12.283 -7.285 1.00 0.00 C ATOM 2216 CD PRO B 737 4.088 -11.640 -6.862 1.00 0.00 C ATOM 0 HA PRO B 737 2.987 -14.215 -8.459 1.00 0.00 H new ATOM 0 HB2 PRO B 737 5.707 -14.160 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO B 737 4.848 -12.951 -9.279 1.00 0.00 H new ATOM 0 HG2 PRO B 737 5.939 -12.712 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO B 737 6.081 -11.558 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO B 737 4.139 -11.276 -5.836 1.00 0.00 H new ATOM 0 HD3 PRO B 737 3.848 -10.784 -7.493 1.00 0.00 H new ATOM 2224 N GLU B 738 3.947 -16.203 -7.232 1.00 0.00 N ATOM 2225 CA GLU B 738 4.171 -17.390 -6.419 1.00 0.00 C ATOM 2226 C GLU B 738 5.658 -17.637 -6.144 1.00 0.00 C ATOM 2227 O GLU B 738 5.999 -18.418 -5.259 1.00 0.00 O ATOM 2228 CB GLU B 738 3.622 -18.580 -7.203 1.00 0.00 C ATOM 2229 CG GLU B 738 3.304 -19.773 -6.302 1.00 0.00 C ATOM 2230 CD GLU B 738 2.944 -20.958 -7.173 1.00 0.00 C ATOM 2231 OE1 GLU B 738 1.745 -21.112 -7.489 1.00 0.00 O ATOM 2232 OE2 GLU B 738 3.875 -21.694 -7.571 1.00 0.00 O ATOM 0 H GLU B 738 3.838 -16.396 -8.228 1.00 0.00 H new ATOM 0 HA GLU B 738 3.678 -17.255 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU B 738 2.719 -18.277 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU B 738 4.349 -18.881 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU B 738 4.163 -20.012 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU B 738 2.478 -19.531 -5.633 1.00 0.00 H new ATOM 2239 N SER B 739 6.538 -17.026 -6.938 1.00 0.00 N ATOM 2240 CA SER B 739 7.972 -17.185 -6.824 1.00 0.00 C ATOM 2241 C SER B 739 8.518 -16.343 -5.678 1.00 0.00 C ATOM 2242 O SER B 739 8.599 -16.826 -4.536 1.00 0.00 O ATOM 2243 CB SER B 739 8.624 -16.829 -8.161 1.00 0.00 C ATOM 2244 OG SER B 739 7.960 -17.467 -9.245 1.00 0.00 O ATOM 0 H SER B 739 6.259 -16.396 -7.690 1.00 0.00 H new ATOM 0 HA SER B 739 8.211 -18.223 -6.592 1.00 0.00 H new ATOM 0 HB2 SER B 739 8.601 -15.749 -8.303 1.00 0.00 H new ATOM 0 HB3 SER B 739 9.672 -17.127 -8.148 1.00 0.00 H new ATOM 0 HG SER B 739 8.397 -17.220 -10.087 1.00 0.00 H new TER 2250 SER B 739