USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 180:sc= 0.148 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -153:sc= 0.131 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00129 (180deg=-0.192) USER MOD Single : A 4 LYS NZ :NH3+ -134:sc= -1.53 (180deg=-3.99!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 10 TYR OH : rot -164:sc= 0.105 USER MOD Single : A 13 SER OG : rot 180:sc= -0.117 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= -0.0271 (180deg=-0.174) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.9!) USER MOD Single : A 22 MET CE :methyl -129:sc= -1.02 (180deg=-4.06!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0564 K(o=-0.056,f=0.55) USER MOD Single : A 31 SER OG : rot -1:sc= 0.303 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0184) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= 0.874 (180deg=0.619) USER MOD Single : A 47 SER OG : rot -80:sc= 0.753 USER MOD Single : A 49 SER OG : rot -34:sc= 0.121 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.5) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0185) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.891 4.045 1.076 1.00 12.04 N ATOM 2 CA MET A 1 -14.810 4.806 0.414 1.00 54.51 C ATOM 3 C MET A 1 -13.461 4.099 0.625 1.00 53.13 C ATOM 4 O MET A 1 -12.830 4.216 1.685 1.00 43.20 O ATOM 5 CB MET A 1 -14.787 6.275 0.926 1.00 14.34 C ATOM 6 CG MET A 1 -16.071 7.057 0.627 1.00 42.24 C ATOM 7 SD MET A 1 -16.015 8.756 1.233 1.00 52.23 S ATOM 8 CE MET A 1 -17.623 9.363 0.714 1.00 60.00 C ATOM 0 H1 MET A 1 -16.814 4.409 0.763 1.00 12.04 H new ATOM 0 H2 MET A 1 -15.812 3.039 0.824 1.00 12.04 H new ATOM 0 H3 MET A 1 -15.809 4.151 2.107 1.00 12.04 H new ATOM 0 HA MET A 1 -14.999 4.842 -0.659 1.00 54.51 H new ATOM 0 HB2 MET A 1 -14.618 6.272 2.003 1.00 14.34 H new ATOM 0 HB3 MET A 1 -13.943 6.794 0.472 1.00 14.34 H new ATOM 0 HG2 MET A 1 -16.243 7.066 -0.449 1.00 42.24 H new ATOM 0 HG3 MET A 1 -16.918 6.542 1.081 1.00 42.24 H new ATOM 0 HE1 MET A 1 -17.735 10.403 1.019 1.00 60.00 H new ATOM 0 HE2 MET A 1 -17.706 9.292 -0.370 1.00 60.00 H new ATOM 0 HE3 MET A 1 -18.406 8.763 1.178 1.00 60.00 H new ATOM 20 N ARG A 2 -13.072 3.304 -0.392 1.00 44.32 N ATOM 21 CA ARG A 2 -11.779 2.602 -0.467 1.00 14.33 C ATOM 22 C ARG A 2 -10.995 3.157 -1.664 1.00 21.41 C ATOM 23 O ARG A 2 -11.553 3.303 -2.760 1.00 20.24 O ATOM 24 CB ARG A 2 -12.001 1.068 -0.619 1.00 34.40 C ATOM 25 CG ARG A 2 -12.526 0.372 0.659 1.00 44.11 C ATOM 26 CD ARG A 2 -13.091 -1.036 0.387 1.00 4.25 C ATOM 27 NE ARG A 2 -14.358 -0.965 -0.359 1.00 71.52 N ATOM 28 CZ ARG A 2 -14.954 -1.982 -1.005 1.00 74.35 C ATOM 29 NH1 ARG A 2 -14.417 -3.200 -1.029 1.00 1.31 N ATOM 30 NH2 ARG A 2 -16.105 -1.771 -1.629 1.00 70.14 N ATOM 0 H ARG A 2 -13.665 3.129 -1.203 1.00 44.32 H new ATOM 0 HA ARG A 2 -11.214 2.765 0.451 1.00 14.33 H new ATOM 0 HB2 ARG A 2 -12.708 0.893 -1.430 1.00 34.40 H new ATOM 0 HB3 ARG A 2 -11.059 0.603 -0.911 1.00 34.40 H new ATOM 0 HG2 ARG A 2 -11.717 0.299 1.385 1.00 44.11 H new ATOM 0 HG3 ARG A 2 -13.304 0.989 1.109 1.00 44.11 H new ATOM 0 HD2 ARG A 2 -12.365 -1.619 -0.179 1.00 4.25 H new ATOM 0 HD3 ARG A 2 -13.251 -1.556 1.332 1.00 4.25 H new ATOM 0 HE ARG A 2 -14.827 -0.060 -0.388 1.00 71.52 H new ATOM 0 HH11 ARG A 2 -13.534 -3.378 -0.550 1.00 1.31 H new ATOM 0 HH12 ARG A 2 -14.889 -3.956 -1.526 1.00 1.31 H new ATOM 0 HH21 ARG A 2 -16.530 -0.844 -1.616 1.00 70.14 H new ATOM 0 HH22 ARG A 2 -16.565 -2.536 -2.122 1.00 70.14 H new ATOM 44 N ILE A 3 -9.708 3.455 -1.455 1.00 25.44 N ATOM 45 CA ILE A 3 -8.830 4.034 -2.484 1.00 10.11 C ATOM 46 C ILE A 3 -8.052 2.893 -3.159 1.00 25.13 C ATOM 47 O ILE A 3 -7.554 1.993 -2.485 1.00 62.41 O ATOM 48 CB ILE A 3 -7.852 5.101 -1.844 1.00 64.23 C ATOM 49 CG1 ILE A 3 -8.686 6.243 -1.161 1.00 30.13 C ATOM 50 CG2 ILE A 3 -6.852 5.666 -2.892 1.00 4.44 C ATOM 51 CD1 ILE A 3 -7.882 7.351 -0.494 1.00 45.35 C ATOM 0 H ILE A 3 -9.241 3.301 -0.561 1.00 25.44 H new ATOM 0 HA ILE A 3 -9.425 4.555 -3.234 1.00 10.11 H new ATOM 0 HB ILE A 3 -7.252 4.607 -1.080 1.00 64.23 H new ATOM 0 HG12 ILE A 3 -9.332 6.694 -1.914 1.00 30.13 H new ATOM 0 HG13 ILE A 3 -9.336 5.792 -0.412 1.00 30.13 H new ATOM 0 HG21 ILE A 3 -6.198 6.395 -2.414 1.00 4.44 H new ATOM 0 HG22 ILE A 3 -6.252 4.852 -3.299 1.00 4.44 H new ATOM 0 HG23 ILE A 3 -7.404 6.148 -3.699 1.00 4.44 H new ATOM 0 HD11 ILE A 3 -8.563 8.082 -0.057 1.00 45.35 H new ATOM 0 HD12 ILE A 3 -7.256 6.925 0.290 1.00 45.35 H new ATOM 0 HD13 ILE A 3 -7.252 7.840 -1.236 1.00 45.35 H new ATOM 63 N LYS A 4 -7.951 2.940 -4.486 1.00 53.21 N ATOM 64 CA LYS A 4 -7.407 1.840 -5.290 1.00 45.03 C ATOM 65 C LYS A 4 -5.887 1.995 -5.419 1.00 74.14 C ATOM 66 O LYS A 4 -5.399 3.063 -5.809 1.00 72.10 O ATOM 67 CB LYS A 4 -8.093 1.856 -6.674 1.00 31.14 C ATOM 68 CG LYS A 4 -7.517 0.883 -7.723 1.00 33.43 C ATOM 69 CD LYS A 4 -8.213 0.992 -9.104 1.00 2.54 C ATOM 70 CE LYS A 4 -7.971 2.340 -9.832 1.00 74.20 C ATOM 71 NZ LYS A 4 -8.685 3.500 -9.209 1.00 25.13 N ATOM 0 H LYS A 4 -8.245 3.745 -5.039 1.00 53.21 H new ATOM 0 HA LYS A 4 -7.603 0.882 -4.809 1.00 45.03 H new ATOM 0 HB2 LYS A 4 -9.150 1.628 -6.537 1.00 31.14 H new ATOM 0 HB3 LYS A 4 -8.035 2.868 -7.075 1.00 31.14 H new ATOM 0 HG2 LYS A 4 -6.451 1.078 -7.844 1.00 33.43 H new ATOM 0 HG3 LYS A 4 -7.614 -0.138 -7.354 1.00 33.43 H new ATOM 0 HD2 LYS A 4 -7.862 0.180 -9.741 1.00 2.54 H new ATOM 0 HD3 LYS A 4 -9.286 0.851 -8.970 1.00 2.54 H new ATOM 0 HE2 LYS A 4 -6.901 2.548 -9.845 1.00 74.20 H new ATOM 0 HE3 LYS A 4 -8.290 2.244 -10.870 1.00 74.20 H new ATOM 0 HZ1 LYS A 4 -9.150 4.061 -9.951 1.00 25.13 H new ATOM 0 HZ2 LYS A 4 -9.400 3.149 -8.541 1.00 25.13 H new ATOM 0 HZ3 LYS A 4 -8.001 4.097 -8.702 1.00 25.13 H new ATOM 85 N GLY A 5 -5.154 0.928 -5.067 1.00 64.20 N ATOM 86 CA GLY A 5 -3.695 0.908 -5.135 1.00 11.03 C ATOM 87 C GLY A 5 -3.173 -0.319 -5.864 1.00 52.12 C ATOM 88 O GLY A 5 -3.957 -1.187 -6.241 1.00 30.11 O ATOM 0 H GLY A 5 -5.562 0.057 -4.728 1.00 64.20 H new ATOM 0 HA2 GLY A 5 -3.344 1.807 -5.642 1.00 11.03 H new ATOM 0 HA3 GLY A 5 -3.285 0.931 -4.125 1.00 11.03 H new ATOM 92 N VAL A 6 -1.840 -0.379 -6.060 1.00 4.35 N ATOM 93 CA VAL A 6 -1.141 -1.492 -6.744 1.00 22.21 C ATOM 94 C VAL A 6 0.178 -1.803 -6.011 1.00 15.23 C ATOM 95 O VAL A 6 0.955 -0.896 -5.719 1.00 12.42 O ATOM 96 CB VAL A 6 -0.839 -1.153 -8.265 1.00 65.43 C ATOM 97 CG1 VAL A 6 0.192 -2.115 -8.900 1.00 43.21 C ATOM 98 CG2 VAL A 6 -2.134 -1.157 -9.100 1.00 33.30 C ATOM 0 H VAL A 6 -1.207 0.355 -5.743 1.00 4.35 H new ATOM 0 HA VAL A 6 -1.797 -2.362 -6.720 1.00 22.21 H new ATOM 0 HB VAL A 6 -0.405 -0.153 -8.272 1.00 65.43 H new ATOM 0 HG11 VAL A 6 0.359 -1.835 -9.940 1.00 43.21 H new ATOM 0 HG12 VAL A 6 1.132 -2.053 -8.352 1.00 43.21 H new ATOM 0 HG13 VAL A 6 -0.187 -3.136 -8.856 1.00 43.21 H new ATOM 0 HG21 VAL A 6 -1.898 -0.922 -10.138 1.00 33.30 H new ATOM 0 HG22 VAL A 6 -2.598 -2.142 -9.047 1.00 33.30 H new ATOM 0 HG23 VAL A 6 -2.823 -0.410 -8.706 1.00 33.30 H new ATOM 108 N VAL A 7 0.415 -3.095 -5.741 1.00 3.24 N ATOM 109 CA VAL A 7 1.648 -3.594 -5.119 1.00 50.54 C ATOM 110 C VAL A 7 2.846 -3.418 -6.084 1.00 4.10 C ATOM 111 O VAL A 7 2.935 -4.111 -7.105 1.00 72.13 O ATOM 112 CB VAL A 7 1.487 -5.111 -4.724 1.00 31.24 C ATOM 113 CG1 VAL A 7 2.756 -5.671 -4.040 1.00 62.12 C ATOM 114 CG2 VAL A 7 0.233 -5.328 -3.846 1.00 71.12 C ATOM 0 H VAL A 7 -0.256 -3.834 -5.952 1.00 3.24 H new ATOM 0 HA VAL A 7 1.839 -3.016 -4.215 1.00 50.54 H new ATOM 0 HB VAL A 7 1.351 -5.671 -5.649 1.00 31.24 H new ATOM 0 HG11 VAL A 7 2.600 -6.719 -3.785 1.00 62.12 H new ATOM 0 HG12 VAL A 7 3.604 -5.585 -4.720 1.00 62.12 H new ATOM 0 HG13 VAL A 7 2.960 -5.104 -3.132 1.00 62.12 H new ATOM 0 HG21 VAL A 7 0.147 -6.384 -3.589 1.00 71.12 H new ATOM 0 HG22 VAL A 7 0.321 -4.738 -2.934 1.00 71.12 H new ATOM 0 HG23 VAL A 7 -0.655 -5.015 -4.396 1.00 71.12 H new ATOM 124 N LEU A 8 3.725 -2.454 -5.770 1.00 31.11 N ATOM 125 CA LEU A 8 4.964 -2.202 -6.537 1.00 2.45 C ATOM 126 C LEU A 8 6.048 -3.212 -6.131 1.00 73.04 C ATOM 127 O LEU A 8 6.589 -3.936 -6.974 1.00 15.23 O ATOM 128 CB LEU A 8 5.484 -0.757 -6.292 1.00 1.01 C ATOM 129 CG LEU A 8 4.503 0.394 -6.657 1.00 63.32 C ATOM 130 CD1 LEU A 8 5.111 1.777 -6.339 1.00 12.52 C ATOM 131 CD2 LEU A 8 4.054 0.299 -8.128 1.00 4.15 C ATOM 0 H LEU A 8 3.601 -1.824 -4.977 1.00 31.11 H new ATOM 0 HA LEU A 8 4.736 -2.316 -7.597 1.00 2.45 H new ATOM 0 HB2 LEU A 8 5.749 -0.661 -5.239 1.00 1.01 H new ATOM 0 HB3 LEU A 8 6.401 -0.621 -6.865 1.00 1.01 H new ATOM 0 HG LEU A 8 3.615 0.280 -6.035 1.00 63.32 H new ATOM 0 HD11 LEU A 8 4.399 2.558 -6.606 1.00 12.52 H new ATOM 0 HD12 LEU A 8 5.335 1.840 -5.274 1.00 12.52 H new ATOM 0 HD13 LEU A 8 6.029 1.911 -6.912 1.00 12.52 H new ATOM 0 HD21 LEU A 8 3.369 1.117 -8.353 1.00 4.15 H new ATOM 0 HD22 LEU A 8 4.925 0.366 -8.779 1.00 4.15 H new ATOM 0 HD23 LEU A 8 3.549 -0.653 -8.294 1.00 4.15 H new ATOM 143 N SER A 9 6.334 -3.262 -4.816 1.00 13.02 N ATOM 144 CA SER A 9 7.439 -4.072 -4.266 1.00 0.50 C ATOM 145 C SER A 9 7.224 -4.367 -2.772 1.00 33.22 C ATOM 146 O SER A 9 6.282 -3.852 -2.157 1.00 11.20 O ATOM 147 CB SER A 9 8.792 -3.341 -4.488 1.00 62.23 C ATOM 148 OG SER A 9 8.788 -2.040 -3.910 1.00 23.41 O ATOM 0 H SER A 9 5.810 -2.746 -4.109 1.00 13.02 H new ATOM 0 HA SER A 9 7.459 -5.026 -4.792 1.00 0.50 H new ATOM 0 HB2 SER A 9 9.600 -3.930 -4.053 1.00 62.23 H new ATOM 0 HB3 SER A 9 8.993 -3.264 -5.557 1.00 62.23 H new ATOM 0 HG SER A 9 9.654 -1.610 -4.067 1.00 23.41 H new ATOM 154 N TYR A 10 8.103 -5.219 -2.203 1.00 63.33 N ATOM 155 CA TYR A 10 8.150 -5.498 -0.756 1.00 41.24 C ATOM 156 C TYR A 10 9.557 -5.175 -0.228 1.00 60.41 C ATOM 157 O TYR A 10 10.522 -5.125 -1.005 1.00 14.14 O ATOM 158 CB TYR A 10 7.852 -7.001 -0.441 1.00 32.20 C ATOM 159 CG TYR A 10 6.678 -7.631 -1.207 1.00 31.43 C ATOM 160 CD1 TYR A 10 5.349 -7.407 -0.836 1.00 60.33 C ATOM 161 CD2 TYR A 10 6.911 -8.474 -2.299 1.00 61.41 C ATOM 162 CE1 TYR A 10 4.304 -8.001 -1.533 1.00 14.32 C ATOM 163 CE2 TYR A 10 5.873 -9.065 -2.988 1.00 44.23 C ATOM 164 CZ TYR A 10 4.572 -8.828 -2.605 1.00 55.24 C ATOM 165 OH TYR A 10 3.537 -9.424 -3.300 1.00 44.51 O ATOM 0 H TYR A 10 8.802 -5.734 -2.739 1.00 63.33 H new ATOM 0 HA TYR A 10 7.389 -4.882 -0.277 1.00 41.24 H new ATOM 0 HB2 TYR A 10 8.750 -7.581 -0.652 1.00 32.20 H new ATOM 0 HB3 TYR A 10 7.655 -7.096 0.627 1.00 32.20 H new ATOM 0 HD1 TYR A 10 5.132 -6.764 0.004 1.00 60.33 H new ATOM 0 HD2 TYR A 10 7.927 -8.666 -2.610 1.00 61.41 H new ATOM 0 HE1 TYR A 10 3.282 -7.816 -1.236 1.00 14.32 H new ATOM 0 HE2 TYR A 10 6.080 -9.713 -3.827 1.00 44.23 H new ATOM 0 HH TYR A 10 3.890 -10.153 -3.851 1.00 44.51 H new ATOM 175 N ARG A 11 9.666 -4.967 1.086 1.00 55.05 N ATOM 176 CA ARG A 11 10.947 -5.037 1.798 1.00 62.43 C ATOM 177 C ARG A 11 10.711 -5.819 3.092 1.00 63.22 C ATOM 178 O ARG A 11 10.081 -5.307 4.032 1.00 20.40 O ATOM 179 CB ARG A 11 11.523 -3.634 2.106 1.00 0.55 C ATOM 180 CG ARG A 11 12.912 -3.686 2.788 1.00 41.52 C ATOM 181 CD ARG A 11 13.388 -2.320 3.276 1.00 22.25 C ATOM 182 NE ARG A 11 12.494 -1.754 4.302 1.00 62.21 N ATOM 183 CZ ARG A 11 12.475 -0.468 4.682 1.00 24.44 C ATOM 184 NH1 ARG A 11 13.293 0.426 4.120 1.00 44.14 N ATOM 185 NH2 ARG A 11 11.644 -0.085 5.638 1.00 33.12 N ATOM 0 H ARG A 11 8.872 -4.746 1.687 1.00 55.05 H new ATOM 0 HA ARG A 11 11.684 -5.536 1.169 1.00 62.43 H new ATOM 0 HB2 ARG A 11 11.601 -3.068 1.178 1.00 0.55 H new ATOM 0 HB3 ARG A 11 10.828 -3.096 2.750 1.00 0.55 H new ATOM 0 HG2 ARG A 11 12.870 -4.373 3.633 1.00 41.52 H new ATOM 0 HG3 ARG A 11 13.641 -4.089 2.085 1.00 41.52 H new ATOM 0 HD2 ARG A 11 14.395 -2.412 3.684 1.00 22.25 H new ATOM 0 HD3 ARG A 11 13.448 -1.635 2.431 1.00 22.25 H new ATOM 0 HE ARG A 11 11.839 -2.389 4.758 1.00 62.21 H new ATOM 0 HH11 ARG A 11 13.944 0.134 3.391 1.00 44.14 H new ATOM 0 HH12 ARG A 11 13.267 1.401 4.420 1.00 44.14 H new ATOM 0 HH21 ARG A 11 11.025 -0.766 6.079 1.00 33.12 H new ATOM 0 HH22 ARG A 11 11.622 0.891 5.934 1.00 33.12 H new ATOM 199 N ARG A 12 11.215 -7.057 3.135 1.00 15.43 N ATOM 200 CA ARG A 12 10.942 -7.997 4.230 1.00 34.32 C ATOM 201 C ARG A 12 12.073 -7.995 5.265 1.00 42.44 C ATOM 202 O ARG A 12 13.264 -8.054 4.921 1.00 41.13 O ATOM 203 CB ARG A 12 10.685 -9.420 3.655 1.00 52.41 C ATOM 204 CG ARG A 12 11.828 -9.980 2.787 1.00 70.45 C ATOM 205 CD ARG A 12 11.477 -11.315 2.122 1.00 31.21 C ATOM 206 NE ARG A 12 12.538 -11.743 1.192 1.00 33.30 N ATOM 207 CZ ARG A 12 12.873 -13.011 0.919 1.00 55.04 C ATOM 208 NH1 ARG A 12 12.244 -14.024 1.500 1.00 53.51 N ATOM 209 NH2 ARG A 12 13.839 -13.257 0.043 1.00 23.10 N ATOM 0 H ARG A 12 11.825 -7.437 2.411 1.00 15.43 H new ATOM 0 HA ARG A 12 10.042 -7.673 4.752 1.00 34.32 H new ATOM 0 HB2 ARG A 12 10.507 -10.105 4.484 1.00 52.41 H new ATOM 0 HB3 ARG A 12 9.772 -9.397 3.059 1.00 52.41 H new ATOM 0 HG2 ARG A 12 12.081 -9.252 2.016 1.00 70.45 H new ATOM 0 HG3 ARG A 12 12.716 -10.111 3.406 1.00 70.45 H new ATOM 0 HD2 ARG A 12 11.331 -12.078 2.887 1.00 31.21 H new ATOM 0 HD3 ARG A 12 10.534 -11.219 1.583 1.00 31.21 H new ATOM 0 HE ARG A 12 13.063 -11.010 0.715 1.00 33.30 H new ATOM 0 HH11 ARG A 12 11.493 -13.843 2.166 1.00 53.51 H new ATOM 0 HH12 ARG A 12 12.512 -14.984 1.281 1.00 53.51 H new ATOM 0 HH21 ARG A 12 14.320 -12.484 -0.416 1.00 23.10 H new ATOM 0 HH22 ARG A 12 14.101 -14.219 -0.171 1.00 23.10 H new ATOM 223 N SER A 13 11.675 -7.895 6.535 1.00 24.21 N ATOM 224 CA SER A 13 12.575 -8.009 7.674 1.00 12.12 C ATOM 225 C SER A 13 12.767 -9.507 7.996 1.00 43.35 C ATOM 226 O SER A 13 11.832 -10.177 8.439 1.00 44.12 O ATOM 227 CB SER A 13 11.983 -7.224 8.869 1.00 41.21 C ATOM 228 OG SER A 13 12.830 -7.259 10.003 1.00 11.45 O ATOM 0 H SER A 13 10.704 -7.730 6.800 1.00 24.21 H new ATOM 0 HA SER A 13 13.552 -7.580 7.453 1.00 12.12 H new ATOM 0 HB2 SER A 13 11.816 -6.188 8.574 1.00 41.21 H new ATOM 0 HB3 SER A 13 11.011 -7.642 9.130 1.00 41.21 H new ATOM 0 HG SER A 13 12.420 -6.751 10.733 1.00 11.45 H new ATOM 234 N LYS A 14 13.967 -10.037 7.706 1.00 70.43 N ATOM 235 CA LYS A 14 14.289 -11.469 7.931 1.00 70.23 C ATOM 236 C LYS A 14 14.646 -11.739 9.413 1.00 32.15 C ATOM 237 O LYS A 14 14.696 -12.894 9.852 1.00 4.01 O ATOM 238 CB LYS A 14 15.441 -11.900 6.987 1.00 4.31 C ATOM 239 CG LYS A 14 16.810 -11.260 7.308 1.00 30.43 C ATOM 240 CD LYS A 14 17.881 -11.549 6.238 1.00 11.40 C ATOM 241 CE LYS A 14 17.526 -10.939 4.869 1.00 63.33 C ATOM 242 NZ LYS A 14 17.314 -9.460 4.946 1.00 24.53 N ATOM 0 H LYS A 14 14.738 -9.497 7.313 1.00 70.43 H new ATOM 0 HA LYS A 14 13.406 -12.066 7.701 1.00 70.23 H new ATOM 0 HB2 LYS A 14 15.543 -12.984 7.031 1.00 4.31 H new ATOM 0 HB3 LYS A 14 15.168 -11.647 5.963 1.00 4.31 H new ATOM 0 HG2 LYS A 14 16.686 -10.182 7.406 1.00 30.43 H new ATOM 0 HG3 LYS A 14 17.160 -11.630 8.272 1.00 30.43 H new ATOM 0 HD2 LYS A 14 18.840 -11.152 6.572 1.00 11.40 H new ATOM 0 HD3 LYS A 14 18.002 -12.627 6.132 1.00 11.40 H new ATOM 0 HE2 LYS A 14 18.325 -11.153 4.160 1.00 63.33 H new ATOM 0 HE3 LYS A 14 16.623 -11.414 4.485 1.00 63.33 H new ATOM 0 HZ1 LYS A 14 17.229 -9.071 3.985 1.00 24.53 H new ATOM 0 HZ2 LYS A 14 16.443 -9.261 5.478 1.00 24.53 H new ATOM 0 HZ3 LYS A 14 18.123 -9.018 5.428 1.00 24.53 H new ATOM 256 N GLU A 15 14.889 -10.651 10.171 1.00 65.43 N ATOM 257 CA GLU A 15 15.146 -10.699 11.632 1.00 54.24 C ATOM 258 C GLU A 15 13.826 -10.767 12.427 1.00 63.31 C ATOM 259 O GLU A 15 13.827 -11.095 13.615 1.00 22.13 O ATOM 260 CB GLU A 15 15.980 -9.457 12.055 1.00 42.23 C ATOM 261 CG GLU A 15 15.328 -8.105 11.717 1.00 61.45 C ATOM 262 CD GLU A 15 16.238 -6.901 11.994 1.00 55.12 C ATOM 263 OE1 GLU A 15 17.083 -6.570 11.137 1.00 70.11 O ATOM 264 OE2 GLU A 15 16.117 -6.281 13.064 1.00 52.41 O ATOM 0 H GLU A 15 14.913 -9.706 9.788 1.00 65.43 H new ATOM 0 HA GLU A 15 15.712 -11.603 11.858 1.00 54.24 H new ATOM 0 HB2 GLU A 15 16.156 -9.502 13.130 1.00 42.23 H new ATOM 0 HB3 GLU A 15 16.955 -9.507 11.570 1.00 42.23 H new ATOM 0 HG2 GLU A 15 15.043 -8.101 10.665 1.00 61.45 H new ATOM 0 HG3 GLU A 15 14.411 -7.998 12.296 1.00 61.45 H new ATOM 271 N ASN A 16 12.711 -10.471 11.738 1.00 3.24 N ATOM 272 CA ASN A 16 11.371 -10.391 12.330 1.00 10.45 C ATOM 273 C ASN A 16 10.357 -10.234 11.194 1.00 30.33 C ATOM 274 O ASN A 16 10.180 -9.124 10.682 1.00 34.52 O ATOM 275 CB ASN A 16 11.289 -9.193 13.318 1.00 42.24 C ATOM 276 CG ASN A 16 9.900 -8.958 13.927 1.00 30.34 C ATOM 277 OD1 ASN A 16 9.137 -9.889 14.189 1.00 54.21 O ATOM 278 ND2 ASN A 16 9.556 -7.702 14.146 1.00 10.43 N ATOM 0 H ASN A 16 12.719 -10.278 10.737 1.00 3.24 H new ATOM 0 HA ASN A 16 11.152 -11.297 12.895 1.00 10.45 H new ATOM 0 HB2 ASN A 16 12.002 -9.357 14.126 1.00 42.24 H new ATOM 0 HB3 ASN A 16 11.600 -8.288 12.797 1.00 42.24 H new ATOM 0 HD21 ASN A 16 8.641 -7.485 14.541 1.00 10.43 H new ATOM 0 HD22 ASN A 16 10.206 -6.949 13.921 1.00 10.43 H new ATOM 285 N GLN A 17 9.730 -11.345 10.754 1.00 62.00 N ATOM 286 CA GLN A 17 8.768 -11.329 9.626 1.00 23.04 C ATOM 287 C GLN A 17 7.357 -10.913 10.128 1.00 2.31 C ATOM 288 O GLN A 17 6.390 -11.687 10.129 1.00 2.21 O ATOM 289 CB GLN A 17 8.751 -12.698 8.888 1.00 22.22 C ATOM 290 CG GLN A 17 8.086 -12.670 7.495 1.00 54.12 C ATOM 291 CD GLN A 17 8.041 -14.040 6.821 1.00 72.30 C ATOM 292 OE1 GLN A 17 7.087 -14.797 6.995 1.00 20.31 O ATOM 293 NE2 GLN A 17 9.077 -14.376 6.067 1.00 31.42 N ATOM 0 H GLN A 17 9.872 -12.269 11.163 1.00 62.00 H new ATOM 0 HA GLN A 17 9.090 -10.584 8.898 1.00 23.04 H new ATOM 0 HB2 GLN A 17 9.777 -13.050 8.779 1.00 22.22 H new ATOM 0 HB3 GLN A 17 8.229 -13.425 9.510 1.00 22.22 H new ATOM 0 HG2 GLN A 17 7.070 -12.287 7.592 1.00 54.12 H new ATOM 0 HG3 GLN A 17 8.629 -11.975 6.854 1.00 54.12 H new ATOM 0 HE21 GLN A 17 9.851 -13.724 5.944 1.00 31.42 H new ATOM 0 HE22 GLN A 17 9.100 -15.287 5.609 1.00 31.42 H new ATOM 302 N HIS A 18 7.311 -9.684 10.634 1.00 42.05 N ATOM 303 CA HIS A 18 6.112 -8.980 11.105 1.00 70.51 C ATOM 304 C HIS A 18 6.282 -7.519 10.684 1.00 63.53 C ATOM 305 O HIS A 18 7.430 -7.056 10.554 1.00 42.22 O ATOM 306 CB HIS A 18 5.970 -9.049 12.655 1.00 53.30 C ATOM 307 CG HIS A 18 5.673 -10.413 13.234 1.00 24.11 C ATOM 308 ND1 HIS A 18 4.453 -10.748 13.782 1.00 52.04 N ATOM 309 CD2 HIS A 18 6.459 -11.507 13.402 1.00 14.32 C ATOM 310 CE1 HIS A 18 4.504 -11.974 14.255 1.00 23.41 C ATOM 311 NE2 HIS A 18 5.706 -12.458 14.039 1.00 74.43 N ATOM 0 H HIS A 18 8.153 -9.117 10.734 1.00 42.05 H new ATOM 0 HA HIS A 18 5.220 -9.440 10.680 1.00 70.51 H new ATOM 0 HB2 HIS A 18 6.894 -8.680 13.101 1.00 53.30 H new ATOM 0 HB3 HIS A 18 5.175 -8.367 12.958 1.00 53.30 H new ATOM 0 HD2 HIS A 18 7.488 -11.609 13.091 1.00 14.32 H new ATOM 0 HE1 HIS A 18 3.693 -12.496 14.740 1.00 23.41 H new ATOM 0 HE2 HIS A 18 6.026 -13.390 14.303 1.00 74.43 H new ATOM 320 N ASN A 19 5.155 -6.806 10.471 1.00 64.13 N ATOM 321 CA ASN A 19 5.153 -5.372 10.090 1.00 43.34 C ATOM 322 C ASN A 19 5.886 -5.157 8.745 1.00 15.42 C ATOM 323 O ASN A 19 6.479 -4.097 8.519 1.00 21.54 O ATOM 324 CB ASN A 19 5.777 -4.491 11.214 1.00 41.11 C ATOM 325 CG ASN A 19 5.041 -4.602 12.551 1.00 54.32 C ATOM 326 OD1 ASN A 19 5.373 -5.429 13.401 1.00 21.52 O ATOM 327 ND2 ASN A 19 4.022 -3.779 12.735 1.00 33.30 N ATOM 0 H ASN A 19 4.220 -7.205 10.558 1.00 64.13 H new ATOM 0 HA ASN A 19 4.116 -5.062 9.962 1.00 43.34 H new ATOM 0 HB2 ASN A 19 6.818 -4.780 11.356 1.00 41.11 H new ATOM 0 HB3 ASN A 19 5.776 -3.450 10.892 1.00 41.11 H new ATOM 0 HD21 ASN A 19 3.485 -3.818 13.601 1.00 33.30 H new ATOM 0 HD22 ASN A 19 3.773 -3.105 12.011 1.00 33.30 H new ATOM 334 N ASN A 20 5.803 -6.176 7.854 1.00 30.23 N ATOM 335 CA ASN A 20 6.515 -6.194 6.553 1.00 21.30 C ATOM 336 C ASN A 20 6.119 -4.987 5.684 1.00 71.02 C ATOM 337 O ASN A 20 4.955 -4.582 5.670 1.00 12.43 O ATOM 338 CB ASN A 20 6.215 -7.508 5.773 1.00 55.23 C ATOM 339 CG ASN A 20 6.891 -7.571 4.383 1.00 10.03 C ATOM 340 OD1 ASN A 20 7.995 -7.096 4.202 1.00 72.34 O ATOM 341 ND2 ASN A 20 6.222 -8.114 3.384 1.00 2.32 N ATOM 0 H ASN A 20 5.239 -7.010 8.018 1.00 30.23 H new ATOM 0 HA ASN A 20 7.582 -6.140 6.769 1.00 21.30 H new ATOM 0 HB2 ASN A 20 6.548 -8.358 6.368 1.00 55.23 H new ATOM 0 HB3 ASN A 20 5.137 -7.609 5.648 1.00 55.23 H new ATOM 0 HD21 ASN A 20 6.631 -8.138 2.450 1.00 2.32 H new ATOM 0 HD22 ASN A 20 5.296 -8.510 3.546 1.00 2.32 H new ATOM 348 N VAL A 21 7.084 -4.470 4.916 1.00 11.42 N ATOM 349 CA VAL A 21 6.881 -3.301 4.063 1.00 4.12 C ATOM 350 C VAL A 21 6.367 -3.747 2.692 1.00 3.25 C ATOM 351 O VAL A 21 6.864 -4.713 2.110 1.00 21.11 O ATOM 352 CB VAL A 21 8.214 -2.488 3.885 1.00 42.03 C ATOM 353 CG1 VAL A 21 8.043 -1.318 2.896 1.00 44.24 C ATOM 354 CG2 VAL A 21 8.717 -1.981 5.243 1.00 4.20 C ATOM 0 H VAL A 21 8.028 -4.853 4.870 1.00 11.42 H new ATOM 0 HA VAL A 21 6.147 -2.654 4.542 1.00 4.12 H new ATOM 0 HB VAL A 21 8.959 -3.163 3.464 1.00 42.03 H new ATOM 0 HG11 VAL A 21 8.987 -0.781 2.801 1.00 44.24 H new ATOM 0 HG12 VAL A 21 7.746 -1.706 1.921 1.00 44.24 H new ATOM 0 HG13 VAL A 21 7.275 -0.639 3.265 1.00 44.24 H new ATOM 0 HG21 VAL A 21 9.641 -1.420 5.102 1.00 4.20 H new ATOM 0 HG22 VAL A 21 7.964 -1.333 5.691 1.00 4.20 H new ATOM 0 HG23 VAL A 21 8.904 -2.829 5.901 1.00 4.20 H new ATOM 364 N MET A 22 5.340 -3.052 2.215 1.00 13.43 N ATOM 365 CA MET A 22 4.837 -3.171 0.858 1.00 23.43 C ATOM 366 C MET A 22 4.704 -1.758 0.300 1.00 65.52 C ATOM 367 O MET A 22 3.913 -0.955 0.815 1.00 45.34 O ATOM 368 CB MET A 22 3.479 -3.907 0.835 1.00 11.11 C ATOM 369 CG MET A 22 2.869 -4.085 -0.564 1.00 75.51 C ATOM 370 SD MET A 22 1.231 -4.841 -0.524 1.00 2.04 S ATOM 371 CE MET A 22 1.559 -6.372 0.347 1.00 71.13 C ATOM 0 H MET A 22 4.824 -2.375 2.777 1.00 13.43 H new ATOM 0 HA MET A 22 5.522 -3.759 0.246 1.00 23.43 H new ATOM 0 HB2 MET A 22 3.606 -4.890 1.289 1.00 11.11 H new ATOM 0 HB3 MET A 22 2.773 -3.357 1.457 1.00 11.11 H new ATOM 0 HG2 MET A 22 2.803 -3.113 -1.053 1.00 75.51 H new ATOM 0 HG3 MET A 22 3.534 -4.702 -1.169 1.00 75.51 H new ATOM 0 HE1 MET A 22 1.152 -7.208 -0.222 1.00 71.13 H new ATOM 0 HE2 MET A 22 2.635 -6.501 0.463 1.00 71.13 H new ATOM 0 HE3 MET A 22 1.089 -6.339 1.330 1.00 71.13 H new ATOM 381 N ILE A 23 5.531 -1.438 -0.697 1.00 30.24 N ATOM 382 CA ILE A 23 5.448 -0.168 -1.412 1.00 61.13 C ATOM 383 C ILE A 23 4.294 -0.262 -2.416 1.00 40.34 C ATOM 384 O ILE A 23 4.340 -1.063 -3.346 1.00 43.42 O ATOM 385 CB ILE A 23 6.804 0.179 -2.129 1.00 50.44 C ATOM 386 CG1 ILE A 23 7.979 0.222 -1.099 1.00 4.04 C ATOM 387 CG2 ILE A 23 6.710 1.511 -2.909 1.00 34.03 C ATOM 388 CD1 ILE A 23 7.817 1.249 0.015 1.00 63.51 C ATOM 0 H ILE A 23 6.275 -2.052 -1.029 1.00 30.24 H new ATOM 0 HA ILE A 23 5.259 0.640 -0.705 1.00 61.13 H new ATOM 0 HB ILE A 23 7.007 -0.612 -2.851 1.00 50.44 H new ATOM 0 HG12 ILE A 23 8.086 -0.766 -0.650 1.00 4.04 H new ATOM 0 HG13 ILE A 23 8.905 0.431 -1.634 1.00 4.04 H new ATOM 0 HG21 ILE A 23 7.665 1.718 -3.391 1.00 34.03 H new ATOM 0 HG22 ILE A 23 5.930 1.435 -3.666 1.00 34.03 H new ATOM 0 HG23 ILE A 23 6.468 2.320 -2.220 1.00 34.03 H new ATOM 0 HD11 ILE A 23 8.680 1.205 0.679 1.00 63.51 H new ATOM 0 HD12 ILE A 23 7.743 2.247 -0.418 1.00 63.51 H new ATOM 0 HD13 ILE A 23 6.912 1.031 0.582 1.00 63.51 H new ATOM 400 N ILE A 24 3.239 0.508 -2.153 1.00 74.45 N ATOM 401 CA ILE A 24 2.014 0.532 -2.959 1.00 10.13 C ATOM 402 C ILE A 24 1.923 1.865 -3.708 1.00 21.44 C ATOM 403 O ILE A 24 2.241 2.901 -3.151 1.00 53.41 O ATOM 404 CB ILE A 24 0.750 0.354 -2.031 1.00 71.13 C ATOM 405 CG1 ILE A 24 0.829 -1.004 -1.267 1.00 4.43 C ATOM 406 CG2 ILE A 24 -0.573 0.478 -2.829 1.00 45.34 C ATOM 407 CD1 ILE A 24 -0.253 -1.213 -0.226 1.00 60.32 C ATOM 0 H ILE A 24 3.209 1.146 -1.358 1.00 74.45 H new ATOM 0 HA ILE A 24 2.042 -0.288 -3.677 1.00 10.13 H new ATOM 0 HB ILE A 24 0.752 1.162 -1.300 1.00 71.13 H new ATOM 0 HG12 ILE A 24 0.777 -1.816 -1.992 1.00 4.43 H new ATOM 0 HG13 ILE A 24 1.801 -1.074 -0.779 1.00 4.43 H new ATOM 0 HG21 ILE A 24 -1.419 0.349 -2.154 1.00 45.34 H new ATOM 0 HG22 ILE A 24 -0.627 1.462 -3.294 1.00 45.34 H new ATOM 0 HG23 ILE A 24 -0.605 -0.290 -3.601 1.00 45.34 H new ATOM 0 HD11 ILE A 24 -0.116 -2.183 0.252 1.00 60.32 H new ATOM 0 HD12 ILE A 24 -0.191 -0.426 0.526 1.00 60.32 H new ATOM 0 HD13 ILE A 24 -1.231 -1.180 -0.706 1.00 60.32 H new ATOM 419 N LYS A 25 1.530 1.821 -4.983 1.00 52.23 N ATOM 420 CA LYS A 25 1.129 3.011 -5.739 1.00 21.55 C ATOM 421 C LYS A 25 -0.403 3.120 -5.706 1.00 4.01 C ATOM 422 O LYS A 25 -1.077 2.347 -6.395 1.00 15.24 O ATOM 423 CB LYS A 25 1.614 2.911 -7.206 1.00 75.13 C ATOM 424 CG LYS A 25 1.199 4.092 -8.110 1.00 24.11 C ATOM 425 CD LYS A 25 1.491 3.817 -9.601 1.00 23.43 C ATOM 426 CE LYS A 25 1.111 4.989 -10.501 1.00 34.42 C ATOM 427 NZ LYS A 25 1.393 4.689 -11.927 1.00 33.23 N ATOM 0 H LYS A 25 1.481 0.957 -5.522 1.00 52.23 H new ATOM 0 HA LYS A 25 1.580 3.895 -5.289 1.00 21.55 H new ATOM 0 HB2 LYS A 25 2.701 2.834 -7.209 1.00 75.13 H new ATOM 0 HB3 LYS A 25 1.228 1.988 -7.639 1.00 75.13 H new ATOM 0 HG2 LYS A 25 0.135 4.290 -7.981 1.00 24.11 H new ATOM 0 HG3 LYS A 25 1.731 4.991 -7.797 1.00 24.11 H new ATOM 0 HD2 LYS A 25 2.552 3.598 -9.725 1.00 23.43 H new ATOM 0 HD3 LYS A 25 0.943 2.929 -9.917 1.00 23.43 H new ATOM 0 HE2 LYS A 25 0.052 5.216 -10.378 1.00 34.42 H new ATOM 0 HE3 LYS A 25 1.665 5.877 -10.198 1.00 34.42 H new ATOM 0 HZ1 LYS A 25 1.124 5.505 -12.513 1.00 33.23 H new ATOM 0 HZ2 LYS A 25 2.408 4.496 -12.047 1.00 33.23 H new ATOM 0 HZ3 LYS A 25 0.845 3.856 -12.221 1.00 33.23 H new ATOM 441 N PRO A 26 -0.997 4.042 -4.887 1.00 72.21 N ATOM 442 CA PRO A 26 -2.423 4.354 -4.992 1.00 40.05 C ATOM 443 C PRO A 26 -2.647 5.086 -6.325 1.00 21.14 C ATOM 444 O PRO A 26 -2.121 6.172 -6.515 1.00 12.42 O ATOM 445 CB PRO A 26 -2.730 5.239 -3.744 1.00 32.23 C ATOM 446 CG PRO A 26 -1.472 5.235 -2.916 1.00 21.14 C ATOM 447 CD PRO A 26 -0.340 4.877 -3.858 1.00 24.10 C ATOM 0 HA PRO A 26 -3.083 3.487 -4.997 1.00 40.05 H new ATOM 0 HB2 PRO A 26 -2.999 6.253 -4.041 1.00 32.23 H new ATOM 0 HB3 PRO A 26 -3.571 4.838 -3.178 1.00 32.23 H new ATOM 0 HG2 PRO A 26 -1.304 6.211 -2.460 1.00 21.14 H new ATOM 0 HG3 PRO A 26 -1.544 4.512 -2.103 1.00 21.14 H new ATOM 0 HD2 PRO A 26 0.116 5.766 -4.294 1.00 24.10 H new ATOM 0 HD3 PRO A 26 0.452 4.332 -3.345 1.00 24.10 H new ATOM 455 N LEU A 27 -3.353 4.437 -7.262 1.00 41.32 N ATOM 456 CA LEU A 27 -3.521 4.929 -8.648 1.00 0.21 C ATOM 457 C LEU A 27 -4.263 6.275 -8.711 1.00 62.00 C ATOM 458 O LEU A 27 -4.070 7.054 -9.650 1.00 1.44 O ATOM 459 CB LEU A 27 -4.252 3.863 -9.491 1.00 43.35 C ATOM 460 CG LEU A 27 -3.558 2.466 -9.535 1.00 43.45 C ATOM 461 CD1 LEU A 27 -4.356 1.489 -10.404 1.00 44.11 C ATOM 462 CD2 LEU A 27 -2.090 2.565 -10.009 1.00 23.03 C ATOM 0 H LEU A 27 -3.828 3.552 -7.085 1.00 41.32 H new ATOM 0 HA LEU A 27 -2.527 5.104 -9.060 1.00 0.21 H new ATOM 0 HB2 LEU A 27 -5.260 3.739 -9.096 1.00 43.35 H new ATOM 0 HB3 LEU A 27 -4.352 4.234 -10.511 1.00 43.35 H new ATOM 0 HG LEU A 27 -3.539 2.079 -8.516 1.00 43.45 H new ATOM 0 HD11 LEU A 27 -3.853 0.522 -10.420 1.00 44.11 H new ATOM 0 HD12 LEU A 27 -5.358 1.370 -9.992 1.00 44.11 H new ATOM 0 HD13 LEU A 27 -4.425 1.879 -11.420 1.00 44.11 H new ATOM 0 HD21 LEU A 27 -1.645 1.570 -10.025 1.00 23.03 H new ATOM 0 HD22 LEU A 27 -2.059 2.992 -11.011 1.00 23.03 H new ATOM 0 HD23 LEU A 27 -1.529 3.203 -9.326 1.00 23.03 H new ATOM 474 N ASP A 28 -5.110 6.524 -7.704 1.00 14.25 N ATOM 475 CA ASP A 28 -5.835 7.799 -7.543 1.00 42.40 C ATOM 476 C ASP A 28 -4.871 8.947 -7.139 1.00 1.43 C ATOM 477 O ASP A 28 -5.107 10.115 -7.461 1.00 60.15 O ATOM 478 CB ASP A 28 -6.952 7.619 -6.476 1.00 51.20 C ATOM 479 CG ASP A 28 -7.974 6.522 -6.857 1.00 71.21 C ATOM 480 OD1 ASP A 28 -7.681 5.318 -6.661 1.00 1.44 O ATOM 481 OD2 ASP A 28 -9.065 6.860 -7.356 1.00 23.15 O ATOM 0 H ASP A 28 -5.315 5.845 -6.971 1.00 14.25 H new ATOM 0 HA ASP A 28 -6.284 8.073 -8.498 1.00 42.40 H new ATOM 0 HB2 ASP A 28 -6.496 7.368 -5.518 1.00 51.20 H new ATOM 0 HB3 ASP A 28 -7.475 8.566 -6.341 1.00 51.20 H new ATOM 486 N VAL A 29 -3.781 8.574 -6.451 1.00 73.21 N ATOM 487 CA VAL A 29 -2.741 9.492 -5.953 1.00 2.54 C ATOM 488 C VAL A 29 -1.542 9.498 -6.923 1.00 71.41 C ATOM 489 O VAL A 29 -1.219 8.469 -7.527 1.00 20.11 O ATOM 490 CB VAL A 29 -2.279 9.035 -4.515 1.00 74.34 C ATOM 491 CG1 VAL A 29 -1.168 9.935 -3.939 1.00 11.12 C ATOM 492 CG2 VAL A 29 -3.485 8.956 -3.550 1.00 61.51 C ATOM 0 H VAL A 29 -3.592 7.599 -6.219 1.00 73.21 H new ATOM 0 HA VAL A 29 -3.146 10.502 -5.891 1.00 2.54 H new ATOM 0 HB VAL A 29 -1.852 8.037 -4.620 1.00 74.34 H new ATOM 0 HG11 VAL A 29 -0.887 9.577 -2.949 1.00 11.12 H new ATOM 0 HG12 VAL A 29 -0.299 9.905 -4.596 1.00 11.12 H new ATOM 0 HG13 VAL A 29 -1.532 10.960 -3.865 1.00 11.12 H new ATOM 0 HG21 VAL A 29 -3.143 8.639 -2.565 1.00 61.51 H new ATOM 0 HG22 VAL A 29 -3.954 9.937 -3.473 1.00 61.51 H new ATOM 0 HG23 VAL A 29 -4.209 8.236 -3.931 1.00 61.51 H new ATOM 502 N ASN A 30 -0.891 10.661 -7.070 1.00 33.41 N ATOM 503 CA ASN A 30 0.298 10.814 -7.926 1.00 15.42 C ATOM 504 C ASN A 30 1.110 12.048 -7.475 1.00 24.34 C ATOM 505 O ASN A 30 1.754 12.723 -8.285 1.00 12.34 O ATOM 506 CB ASN A 30 -0.130 10.887 -9.435 1.00 55.24 C ATOM 507 CG ASN A 30 0.992 10.531 -10.435 1.00 50.34 C ATOM 508 OD1 ASN A 30 2.164 10.856 -10.234 1.00 44.43 O ATOM 509 ND2 ASN A 30 0.653 9.811 -11.497 1.00 53.11 N ATOM 0 H ASN A 30 -1.172 11.522 -6.600 1.00 33.41 H new ATOM 0 HA ASN A 30 0.947 9.945 -7.823 1.00 15.42 H new ATOM 0 HB2 ASN A 30 -0.970 10.211 -9.595 1.00 55.24 H new ATOM 0 HB3 ASN A 30 -0.486 11.894 -9.651 1.00 55.24 H new ATOM 0 HD21 ASN A 30 1.367 9.517 -12.163 1.00 53.11 H new ATOM 0 HD22 ASN A 30 -0.322 9.551 -11.647 1.00 53.11 H new ATOM 516 N SER A 31 1.094 12.328 -6.157 1.00 61.25 N ATOM 517 CA SER A 31 1.934 13.375 -5.537 1.00 71.34 C ATOM 518 C SER A 31 2.268 12.994 -4.084 1.00 73.01 C ATOM 519 O SER A 31 1.413 12.443 -3.378 1.00 50.14 O ATOM 520 CB SER A 31 1.220 14.757 -5.588 1.00 61.24 C ATOM 521 OG SER A 31 0.982 15.170 -6.928 1.00 72.50 O ATOM 0 H SER A 31 0.499 11.835 -5.491 1.00 61.25 H new ATOM 0 HA SER A 31 2.863 13.453 -6.102 1.00 71.34 H new ATOM 0 HB2 SER A 31 0.274 14.699 -5.050 1.00 61.24 H new ATOM 0 HB3 SER A 31 1.831 15.503 -5.079 1.00 61.24 H new ATOM 0 HG SER A 31 1.333 14.495 -7.546 1.00 72.50 H new ATOM 527 N ARG A 32 3.519 13.283 -3.659 1.00 32.13 N ATOM 528 CA ARG A 32 3.983 13.046 -2.273 1.00 70.40 C ATOM 529 C ARG A 32 3.181 13.891 -1.273 1.00 20.41 C ATOM 530 O ARG A 32 2.974 13.463 -0.141 1.00 53.53 O ATOM 531 CB ARG A 32 5.491 13.376 -2.127 1.00 61.34 C ATOM 532 CG ARG A 32 6.046 13.286 -0.683 1.00 13.22 C ATOM 533 CD ARG A 32 7.544 13.606 -0.587 1.00 30.13 C ATOM 534 NE ARG A 32 8.002 13.606 0.811 1.00 42.44 N ATOM 535 CZ ARG A 32 9.266 13.421 1.218 1.00 70.42 C ATOM 536 NH1 ARG A 32 10.244 13.207 0.338 1.00 24.12 N ATOM 537 NH2 ARG A 32 9.552 13.458 2.516 1.00 23.21 N ATOM 0 H ARG A 32 4.233 13.686 -4.265 1.00 32.13 H new ATOM 0 HA ARG A 32 3.826 11.990 -2.055 1.00 70.40 H new ATOM 0 HB2 ARG A 32 6.059 12.696 -2.761 1.00 61.34 H new ATOM 0 HB3 ARG A 32 5.665 14.384 -2.505 1.00 61.34 H new ATOM 0 HG2 ARG A 32 5.493 13.975 -0.045 1.00 13.22 H new ATOM 0 HG3 ARG A 32 5.870 12.282 -0.296 1.00 13.22 H new ATOM 0 HD2 ARG A 32 8.112 12.872 -1.158 1.00 30.13 H new ATOM 0 HD3 ARG A 32 7.740 14.580 -1.036 1.00 30.13 H new ATOM 0 HE ARG A 32 7.298 13.760 1.532 1.00 42.44 H new ATOM 0 HH11 ARG A 32 10.036 13.182 -0.660 1.00 24.12 H new ATOM 0 HH12 ARG A 32 11.201 13.068 0.663 1.00 24.12 H new ATOM 0 HH21 ARG A 32 8.811 13.626 3.197 1.00 23.21 H new ATOM 0 HH22 ARG A 32 10.512 13.318 2.831 1.00 23.21 H new ATOM 551 N GLU A 33 2.755 15.097 -1.714 1.00 31.45 N ATOM 552 CA GLU A 33 1.887 15.998 -0.922 1.00 52.44 C ATOM 553 C GLU A 33 0.637 15.238 -0.427 1.00 70.31 C ATOM 554 O GLU A 33 0.362 15.190 0.784 1.00 34.42 O ATOM 555 CB GLU A 33 1.462 17.216 -1.780 1.00 44.24 C ATOM 556 CG GLU A 33 2.626 18.114 -2.230 1.00 3.13 C ATOM 557 CD GLU A 33 2.181 19.230 -3.187 1.00 33.24 C ATOM 558 OE1 GLU A 33 1.388 20.105 -2.771 1.00 60.44 O ATOM 559 OE2 GLU A 33 2.603 19.230 -4.365 1.00 41.15 O ATOM 0 H GLU A 33 3.004 15.473 -2.629 1.00 31.45 H new ATOM 0 HA GLU A 33 2.447 16.352 -0.057 1.00 52.44 H new ATOM 0 HB2 GLU A 33 0.934 16.856 -2.663 1.00 44.24 H new ATOM 0 HB3 GLU A 33 0.755 17.818 -1.209 1.00 44.24 H new ATOM 0 HG2 GLU A 33 3.095 18.559 -1.353 1.00 3.13 H new ATOM 0 HG3 GLU A 33 3.383 17.502 -2.720 1.00 3.13 H new ATOM 566 N GLU A 34 -0.044 14.581 -1.397 1.00 74.21 N ATOM 567 CA GLU A 34 -1.228 13.743 -1.149 1.00 62.24 C ATOM 568 C GLU A 34 -0.875 12.586 -0.204 1.00 3.11 C ATOM 569 O GLU A 34 -1.496 12.432 0.839 1.00 12.45 O ATOM 570 CB GLU A 34 -1.797 13.177 -2.473 1.00 5.14 C ATOM 571 CG GLU A 34 -2.178 14.234 -3.514 1.00 14.23 C ATOM 572 CD GLU A 34 -2.690 13.602 -4.810 1.00 72.12 C ATOM 573 OE1 GLU A 34 -1.862 13.105 -5.590 1.00 55.14 O ATOM 574 OE2 GLU A 34 -3.917 13.579 -5.041 1.00 11.20 O ATOM 0 H GLU A 34 0.221 14.623 -2.381 1.00 74.21 H new ATOM 0 HA GLU A 34 -1.989 14.370 -0.684 1.00 62.24 H new ATOM 0 HB2 GLU A 34 -1.059 12.506 -2.911 1.00 5.14 H new ATOM 0 HB3 GLU A 34 -2.678 12.577 -2.246 1.00 5.14 H new ATOM 0 HG2 GLU A 34 -2.946 14.889 -3.102 1.00 14.23 H new ATOM 0 HG3 GLU A 34 -1.311 14.857 -3.732 1.00 14.23 H new ATOM 581 N ALA A 35 0.186 11.839 -0.565 1.00 61.23 N ATOM 582 CA ALA A 35 0.656 10.663 0.195 1.00 62.14 C ATOM 583 C ALA A 35 0.971 11.009 1.675 1.00 21.31 C ATOM 584 O ALA A 35 0.631 10.245 2.585 1.00 34.43 O ATOM 585 CB ALA A 35 1.890 10.057 -0.498 1.00 12.13 C ATOM 0 H ALA A 35 0.744 12.035 -1.396 1.00 61.23 H new ATOM 0 HA ALA A 35 -0.150 9.929 0.208 1.00 62.14 H new ATOM 0 HB1 ALA A 35 2.234 9.190 0.065 1.00 12.13 H new ATOM 0 HB2 ALA A 35 1.625 9.751 -1.510 1.00 12.13 H new ATOM 0 HB3 ALA A 35 2.685 10.801 -0.541 1.00 12.13 H new ATOM 591 N SER A 36 1.550 12.212 1.890 1.00 54.10 N ATOM 592 CA SER A 36 2.039 12.669 3.211 1.00 41.41 C ATOM 593 C SER A 36 0.879 13.114 4.112 1.00 22.42 C ATOM 594 O SER A 36 0.980 13.042 5.345 1.00 33.32 O ATOM 595 CB SER A 36 3.060 13.823 3.039 1.00 4.54 C ATOM 596 OG SER A 36 3.697 14.139 4.268 1.00 61.25 O ATOM 0 H SER A 36 1.692 12.897 1.148 1.00 54.10 H new ATOM 0 HA SER A 36 2.535 11.827 3.694 1.00 41.41 H new ATOM 0 HB2 SER A 36 3.810 13.540 2.301 1.00 4.54 H new ATOM 0 HB3 SER A 36 2.551 14.707 2.654 1.00 4.54 H new ATOM 0 HG SER A 36 4.336 14.869 4.127 1.00 61.25 H new ATOM 602 N LYS A 37 -0.216 13.596 3.496 1.00 13.14 N ATOM 603 CA LYS A 37 -1.454 13.942 4.223 1.00 14.41 C ATOM 604 C LYS A 37 -2.449 12.758 4.214 1.00 51.41 C ATOM 605 O LYS A 37 -3.556 12.863 4.747 1.00 75.24 O ATOM 606 CB LYS A 37 -2.073 15.239 3.630 1.00 72.02 C ATOM 607 CG LYS A 37 -2.546 15.140 2.161 1.00 2.34 C ATOM 608 CD LYS A 37 -2.749 16.513 1.478 1.00 30.43 C ATOM 609 CE LYS A 37 -3.794 17.394 2.172 1.00 5.12 C ATOM 610 NZ LYS A 37 -5.138 16.766 2.173 1.00 53.33 N ATOM 0 H LYS A 37 -0.269 13.756 2.490 1.00 13.14 H new ATOM 0 HA LYS A 37 -1.213 14.139 5.268 1.00 14.41 H new ATOM 0 HB2 LYS A 37 -2.922 15.531 4.248 1.00 72.02 H new ATOM 0 HB3 LYS A 37 -1.336 16.039 3.703 1.00 72.02 H new ATOM 0 HG2 LYS A 37 -1.815 14.566 1.592 1.00 2.34 H new ATOM 0 HG3 LYS A 37 -3.484 14.585 2.127 1.00 2.34 H new ATOM 0 HD2 LYS A 37 -1.797 17.043 1.455 1.00 30.43 H new ATOM 0 HD3 LYS A 37 -3.050 16.354 0.443 1.00 30.43 H new ATOM 0 HE2 LYS A 37 -3.483 17.585 3.199 1.00 5.12 H new ATOM 0 HE3 LYS A 37 -3.845 18.360 1.669 1.00 5.12 H new ATOM 0 HZ1 LYS A 37 -5.828 17.423 2.591 1.00 53.33 H new ATOM 0 HZ2 LYS A 37 -5.418 16.544 1.196 1.00 53.33 H new ATOM 0 HZ3 LYS A 37 -5.111 15.890 2.733 1.00 53.33 H new ATOM 624 N LEU A 38 -2.020 11.628 3.615 1.00 23.03 N ATOM 625 CA LEU A 38 -2.774 10.359 3.587 1.00 42.21 C ATOM 626 C LEU A 38 -2.047 9.276 4.407 1.00 43.14 C ATOM 627 O LEU A 38 -2.226 8.077 4.165 1.00 31.24 O ATOM 628 CB LEU A 38 -2.954 9.892 2.116 1.00 24.41 C ATOM 629 CG LEU A 38 -4.022 10.646 1.273 1.00 71.10 C ATOM 630 CD1 LEU A 38 -4.019 10.132 -0.182 1.00 23.12 C ATOM 631 CD2 LEU A 38 -5.422 10.537 1.913 1.00 75.15 C ATOM 0 H LEU A 38 -1.125 11.572 3.129 1.00 23.03 H new ATOM 0 HA LEU A 38 -3.755 10.522 4.034 1.00 42.21 H new ATOM 0 HB2 LEU A 38 -1.993 9.983 1.609 1.00 24.41 H new ATOM 0 HB3 LEU A 38 -3.211 8.833 2.124 1.00 24.41 H new ATOM 0 HG LEU A 38 -3.761 11.704 1.257 1.00 71.10 H new ATOM 0 HD11 LEU A 38 -4.772 10.669 -0.759 1.00 23.12 H new ATOM 0 HD12 LEU A 38 -3.036 10.297 -0.624 1.00 23.12 H new ATOM 0 HD13 LEU A 38 -4.247 9.066 -0.192 1.00 23.12 H new ATOM 0 HD21 LEU A 38 -6.145 11.074 1.300 1.00 75.15 H new ATOM 0 HD22 LEU A 38 -5.711 9.488 1.980 1.00 75.15 H new ATOM 0 HD23 LEU A 38 -5.400 10.971 2.912 1.00 75.15 H new ATOM 643 N ILE A 39 -1.221 9.705 5.368 1.00 61.21 N ATOM 644 CA ILE A 39 -0.566 8.787 6.315 1.00 5.32 C ATOM 645 C ILE A 39 -1.571 8.406 7.418 1.00 54.22 C ATOM 646 O ILE A 39 -2.266 9.278 7.947 1.00 22.23 O ATOM 647 CB ILE A 39 0.724 9.431 6.953 1.00 54.31 C ATOM 648 CG1 ILE A 39 1.744 9.843 5.849 1.00 72.12 C ATOM 649 CG2 ILE A 39 1.385 8.491 7.994 1.00 23.23 C ATOM 650 CD1 ILE A 39 2.261 8.705 4.988 1.00 54.33 C ATOM 0 H ILE A 39 -0.988 10.687 5.513 1.00 61.21 H new ATOM 0 HA ILE A 39 -0.249 7.896 5.773 1.00 5.32 H new ATOM 0 HB ILE A 39 0.409 10.330 7.482 1.00 54.31 H new ATOM 0 HG12 ILE A 39 1.274 10.583 5.201 1.00 72.12 H new ATOM 0 HG13 ILE A 39 2.594 10.331 6.326 1.00 72.12 H new ATOM 0 HG21 ILE A 39 2.270 8.973 8.409 1.00 23.23 H new ATOM 0 HG22 ILE A 39 0.677 8.280 8.795 1.00 23.23 H new ATOM 0 HG23 ILE A 39 1.673 7.558 7.510 1.00 23.23 H new ATOM 0 HD11 ILE A 39 2.963 9.096 4.252 1.00 54.33 H new ATOM 0 HD12 ILE A 39 2.766 7.972 5.618 1.00 54.33 H new ATOM 0 HD13 ILE A 39 1.426 8.228 4.475 1.00 54.33 H new ATOM 662 N GLY A 40 -1.676 7.100 7.713 1.00 75.23 N ATOM 663 CA GLY A 40 -2.457 6.604 8.853 1.00 41.14 C ATOM 664 C GLY A 40 -3.654 5.762 8.442 1.00 61.54 C ATOM 665 O GLY A 40 -4.240 5.071 9.285 1.00 22.33 O ATOM 0 H GLY A 40 -1.224 6.364 7.170 1.00 75.23 H new ATOM 0 HA2 GLY A 40 -1.809 6.011 9.498 1.00 41.14 H new ATOM 0 HA3 GLY A 40 -2.804 7.452 9.443 1.00 41.14 H new ATOM 669 N ARG A 41 -4.033 5.822 7.152 1.00 54.12 N ATOM 670 CA ARG A 41 -5.198 5.076 6.628 1.00 64.40 C ATOM 671 C ARG A 41 -4.854 3.582 6.470 1.00 33.42 C ATOM 672 O ARG A 41 -3.680 3.214 6.299 1.00 42.21 O ATOM 673 CB ARG A 41 -5.698 5.699 5.290 1.00 52.02 C ATOM 674 CG ARG A 41 -4.594 5.892 4.241 1.00 33.04 C ATOM 675 CD ARG A 41 -5.067 6.592 2.950 1.00 20.33 C ATOM 676 NE ARG A 41 -3.926 6.801 2.024 1.00 1.33 N ATOM 677 CZ ARG A 41 -3.925 6.595 0.691 1.00 43.12 C ATOM 678 NH1 ARG A 41 -5.008 6.159 0.064 1.00 73.31 N ATOM 679 NH2 ARG A 41 -2.817 6.837 -0.009 1.00 31.20 N ATOM 0 H ARG A 41 -3.549 6.381 6.449 1.00 54.12 H new ATOM 0 HA ARG A 41 -6.014 5.153 7.346 1.00 64.40 H new ATOM 0 HB2 ARG A 41 -6.475 5.060 4.871 1.00 52.02 H new ATOM 0 HB3 ARG A 41 -6.158 6.664 5.500 1.00 52.02 H new ATOM 0 HG2 ARG A 41 -3.786 6.475 4.683 1.00 33.04 H new ATOM 0 HG3 ARG A 41 -4.179 4.918 3.982 1.00 33.04 H new ATOM 0 HD2 ARG A 41 -5.833 5.989 2.462 1.00 20.33 H new ATOM 0 HD3 ARG A 41 -5.524 7.551 3.196 1.00 20.33 H new ATOM 0 HE ARG A 41 -3.055 7.134 2.437 1.00 1.33 H new ATOM 0 HH11 ARG A 41 -5.862 5.973 0.590 1.00 73.31 H new ATOM 0 HH12 ARG A 41 -4.988 6.009 -0.945 1.00 73.31 H new ATOM 0 HH21 ARG A 41 -1.979 7.175 0.464 1.00 31.20 H new ATOM 0 HH22 ARG A 41 -2.807 6.684 -1.017 1.00 31.20 H new ATOM 693 N LEU A 42 -5.898 2.743 6.500 1.00 24.51 N ATOM 694 CA LEU A 42 -5.779 1.276 6.504 1.00 44.41 C ATOM 695 C LEU A 42 -5.767 0.747 5.062 1.00 64.14 C ATOM 696 O LEU A 42 -6.296 1.382 4.164 1.00 42.43 O ATOM 697 CB LEU A 42 -6.982 0.663 7.268 1.00 33.34 C ATOM 698 CG LEU A 42 -6.992 -0.896 7.399 1.00 11.41 C ATOM 699 CD1 LEU A 42 -5.962 -1.385 8.429 1.00 60.31 C ATOM 700 CD2 LEU A 42 -8.397 -1.423 7.707 1.00 52.12 C ATOM 0 H LEU A 42 -6.865 3.068 6.523 1.00 24.51 H new ATOM 0 HA LEU A 42 -4.848 0.994 6.996 1.00 44.41 H new ATOM 0 HB2 LEU A 42 -7.007 1.092 8.270 1.00 33.34 H new ATOM 0 HB3 LEU A 42 -7.900 0.971 6.767 1.00 33.34 H new ATOM 0 HG LEU A 42 -6.697 -1.306 6.433 1.00 11.41 H new ATOM 0 HD11 LEU A 42 -5.999 -2.473 8.492 1.00 60.31 H new ATOM 0 HD12 LEU A 42 -4.964 -1.073 8.122 1.00 60.31 H new ATOM 0 HD13 LEU A 42 -6.192 -0.957 9.405 1.00 60.31 H new ATOM 0 HD21 LEU A 42 -8.368 -2.509 7.791 1.00 52.12 H new ATOM 0 HD22 LEU A 42 -8.748 -0.995 8.646 1.00 52.12 H new ATOM 0 HD23 LEU A 42 -9.076 -1.140 6.903 1.00 52.12 H new ATOM 712 N VAL A 43 -5.156 -0.428 4.856 1.00 11.54 N ATOM 713 CA VAL A 43 -5.070 -1.100 3.552 1.00 43.31 C ATOM 714 C VAL A 43 -5.454 -2.581 3.741 1.00 35.24 C ATOM 715 O VAL A 43 -5.153 -3.169 4.781 1.00 63.23 O ATOM 716 CB VAL A 43 -3.618 -1.009 2.930 1.00 64.13 C ATOM 717 CG1 VAL A 43 -3.592 -1.596 1.508 1.00 24.01 C ATOM 718 CG2 VAL A 43 -3.068 0.436 2.939 1.00 33.44 C ATOM 0 H VAL A 43 -4.699 -0.948 5.605 1.00 11.54 H new ATOM 0 HA VAL A 43 -5.752 -0.602 2.863 1.00 43.31 H new ATOM 0 HB VAL A 43 -2.961 -1.606 3.563 1.00 64.13 H new ATOM 0 HG11 VAL A 43 -2.583 -1.522 1.102 1.00 24.01 H new ATOM 0 HG12 VAL A 43 -3.894 -2.643 1.541 1.00 24.01 H new ATOM 0 HG13 VAL A 43 -4.281 -1.040 0.872 1.00 24.01 H new ATOM 0 HG21 VAL A 43 -2.069 0.448 2.502 1.00 33.44 H new ATOM 0 HG22 VAL A 43 -3.727 1.080 2.356 1.00 33.44 H new ATOM 0 HG23 VAL A 43 -3.020 0.801 3.965 1.00 33.44 H new ATOM 728 N LEU A 44 -6.132 -3.169 2.743 1.00 75.41 N ATOM 729 CA LEU A 44 -6.533 -4.586 2.748 1.00 43.32 C ATOM 730 C LEU A 44 -6.049 -5.239 1.446 1.00 75.30 C ATOM 731 O LEU A 44 -6.457 -4.824 0.353 1.00 71.12 O ATOM 732 CB LEU A 44 -8.080 -4.730 2.889 1.00 54.12 C ATOM 733 CG LEU A 44 -8.718 -4.162 4.198 1.00 32.01 C ATOM 734 CD1 LEU A 44 -10.241 -4.400 4.235 1.00 31.23 C ATOM 735 CD2 LEU A 44 -8.039 -4.740 5.455 1.00 42.30 C ATOM 0 H LEU A 44 -6.420 -2.670 1.901 1.00 75.41 H new ATOM 0 HA LEU A 44 -6.079 -5.086 3.604 1.00 43.32 H new ATOM 0 HB2 LEU A 44 -8.548 -4.234 2.039 1.00 54.12 H new ATOM 0 HB3 LEU A 44 -8.332 -5.788 2.818 1.00 54.12 H new ATOM 0 HG LEU A 44 -8.550 -3.085 4.195 1.00 32.01 H new ATOM 0 HD11 LEU A 44 -10.651 -3.992 5.159 1.00 31.23 H new ATOM 0 HD12 LEU A 44 -10.707 -3.906 3.382 1.00 31.23 H new ATOM 0 HD13 LEU A 44 -10.443 -5.470 4.190 1.00 31.23 H new ATOM 0 HD21 LEU A 44 -8.508 -4.323 6.346 1.00 42.30 H new ATOM 0 HD22 LEU A 44 -8.148 -5.825 5.461 1.00 42.30 H new ATOM 0 HD23 LEU A 44 -6.980 -4.482 5.448 1.00 42.30 H new ATOM 747 N TRP A 45 -5.169 -6.240 1.572 1.00 4.52 N ATOM 748 CA TRP A 45 -4.621 -6.992 0.432 1.00 65.54 C ATOM 749 C TRP A 45 -4.756 -8.496 0.702 1.00 72.14 C ATOM 750 O TRP A 45 -4.396 -8.968 1.779 1.00 24.15 O ATOM 751 CB TRP A 45 -3.136 -6.618 0.199 1.00 13.11 C ATOM 752 CG TRP A 45 -2.460 -7.384 -0.923 1.00 53.02 C ATOM 753 CD1 TRP A 45 -2.683 -7.250 -2.264 1.00 45.31 C ATOM 754 CD2 TRP A 45 -1.453 -8.402 -0.791 1.00 73.04 C ATOM 755 NE1 TRP A 45 -1.869 -8.098 -2.966 1.00 70.35 N ATOM 756 CE2 TRP A 45 -1.108 -8.817 -2.086 1.00 44.30 C ATOM 757 CE3 TRP A 45 -0.814 -8.998 0.302 1.00 4.44 C ATOM 758 CZ2 TRP A 45 -0.140 -9.788 -2.324 1.00 32.14 C ATOM 759 CZ3 TRP A 45 0.146 -9.965 0.066 1.00 1.21 C ATOM 760 CH2 TRP A 45 0.472 -10.353 -1.237 1.00 41.25 C ATOM 0 H TRP A 45 -4.813 -6.555 2.475 1.00 4.52 H new ATOM 0 HA TRP A 45 -5.181 -6.736 -0.467 1.00 65.54 H new ATOM 0 HB2 TRP A 45 -3.073 -5.552 -0.018 1.00 13.11 H new ATOM 0 HB3 TRP A 45 -2.583 -6.789 1.123 1.00 13.11 H new ATOM 0 HD1 TRP A 45 -3.398 -6.573 -2.707 1.00 45.31 H new ATOM 0 HE1 TRP A 45 -1.836 -8.180 -3.982 1.00 70.35 H new ATOM 0 HE3 TRP A 45 -1.066 -8.708 1.311 1.00 4.44 H new ATOM 0 HZ2 TRP A 45 0.119 -10.085 -3.329 1.00 32.14 H new ATOM 0 HZ3 TRP A 45 0.652 -10.427 0.901 1.00 1.21 H new ATOM 0 HH2 TRP A 45 1.222 -11.115 -1.390 1.00 41.25 H new ATOM 771 N LYS A 46 -5.261 -9.233 -0.290 1.00 21.35 N ATOM 772 CA LYS A 46 -5.420 -10.684 -0.216 1.00 31.23 C ATOM 773 C LYS A 46 -4.085 -11.354 -0.593 1.00 23.25 C ATOM 774 O LYS A 46 -3.583 -11.157 -1.702 1.00 53.54 O ATOM 775 CB LYS A 46 -6.551 -11.123 -1.181 1.00 31.32 C ATOM 776 CG LYS A 46 -6.945 -12.615 -1.096 1.00 42.34 C ATOM 777 CD LYS A 46 -8.030 -12.995 -2.133 1.00 61.15 C ATOM 778 CE LYS A 46 -8.529 -14.441 -1.982 1.00 45.41 C ATOM 779 NZ LYS A 46 -9.283 -14.645 -0.714 1.00 44.42 N ATOM 0 H LYS A 46 -5.574 -8.834 -1.175 1.00 21.35 H new ATOM 0 HA LYS A 46 -5.691 -10.987 0.795 1.00 31.23 H new ATOM 0 HB2 LYS A 46 -7.435 -10.518 -0.979 1.00 31.32 H new ATOM 0 HB3 LYS A 46 -6.241 -10.903 -2.203 1.00 31.32 H new ATOM 0 HG2 LYS A 46 -6.061 -13.232 -1.256 1.00 42.34 H new ATOM 0 HG3 LYS A 46 -7.311 -12.836 -0.093 1.00 42.34 H new ATOM 0 HD2 LYS A 46 -8.875 -12.313 -2.033 1.00 61.15 H new ATOM 0 HD3 LYS A 46 -7.628 -12.859 -3.137 1.00 61.15 H new ATOM 0 HE2 LYS A 46 -9.168 -14.693 -2.828 1.00 45.41 H new ATOM 0 HE3 LYS A 46 -7.679 -15.122 -2.011 1.00 45.41 H new ATOM 0 HZ1 LYS A 46 -9.851 -15.513 -0.784 1.00 44.42 H new ATOM 0 HZ2 LYS A 46 -8.614 -14.731 0.078 1.00 44.42 H new ATOM 0 HZ3 LYS A 46 -9.911 -13.833 -0.549 1.00 44.42 H new ATOM 793 N SER A 47 -3.510 -12.117 0.347 1.00 3.21 N ATOM 794 CA SER A 47 -2.249 -12.862 0.144 1.00 34.53 C ATOM 795 C SER A 47 -2.424 -14.002 -0.899 1.00 54.22 C ATOM 796 O SER A 47 -3.560 -14.379 -1.219 1.00 33.13 O ATOM 797 CB SER A 47 -1.772 -13.442 1.503 1.00 23.41 C ATOM 798 OG SER A 47 -2.705 -14.378 2.030 1.00 61.31 O ATOM 0 H SER A 47 -3.906 -12.239 1.279 1.00 3.21 H new ATOM 0 HA SER A 47 -1.498 -12.174 -0.246 1.00 34.53 H new ATOM 0 HB2 SER A 47 -0.804 -13.926 1.373 1.00 23.41 H new ATOM 0 HB3 SER A 47 -1.629 -12.630 2.216 1.00 23.41 H new ATOM 0 HG SER A 47 -3.440 -13.898 2.464 1.00 61.31 H new ATOM 804 N PRO A 48 -1.307 -14.564 -1.470 1.00 31.50 N ATOM 805 CA PRO A 48 -1.368 -15.826 -2.270 1.00 42.34 C ATOM 806 C PRO A 48 -1.804 -17.043 -1.410 1.00 34.11 C ATOM 807 O PRO A 48 -2.147 -18.104 -1.944 1.00 64.55 O ATOM 808 CB PRO A 48 0.078 -15.982 -2.816 1.00 40.24 C ATOM 809 CG PRO A 48 0.938 -15.178 -1.879 1.00 40.12 C ATOM 810 CD PRO A 48 0.081 -14.011 -1.436 1.00 22.01 C ATOM 0 HA PRO A 48 -2.113 -15.783 -3.065 1.00 42.34 H new ATOM 0 HB2 PRO A 48 0.383 -17.028 -2.832 1.00 40.24 H new ATOM 0 HB3 PRO A 48 0.156 -15.612 -3.838 1.00 40.24 H new ATOM 0 HG2 PRO A 48 1.254 -15.778 -1.026 1.00 40.12 H new ATOM 0 HG3 PRO A 48 1.843 -14.832 -2.378 1.00 40.12 H new ATOM 0 HD2 PRO A 48 0.353 -13.670 -0.437 1.00 22.01 H new ATOM 0 HD3 PRO A 48 0.189 -13.157 -2.105 1.00 22.01 H new ATOM 818 N SER A 49 -1.787 -16.863 -0.071 1.00 64.44 N ATOM 819 CA SER A 49 -2.293 -17.847 0.906 1.00 34.23 C ATOM 820 C SER A 49 -3.821 -17.682 1.116 1.00 62.34 C ATOM 821 O SER A 49 -4.448 -18.500 1.796 1.00 13.32 O ATOM 822 CB SER A 49 -1.522 -17.670 2.238 1.00 40.52 C ATOM 823 OG SER A 49 -1.842 -18.679 3.185 1.00 23.25 O ATOM 0 H SER A 49 -1.416 -16.019 0.365 1.00 64.44 H new ATOM 0 HA SER A 49 -2.129 -18.856 0.527 1.00 34.23 H new ATOM 0 HB2 SER A 49 -0.450 -17.688 2.040 1.00 40.52 H new ATOM 0 HB3 SER A 49 -1.752 -16.692 2.661 1.00 40.52 H new ATOM 0 HG SER A 49 -2.782 -18.936 3.084 1.00 23.25 H new ATOM 829 N GLY A 50 -4.402 -16.599 0.553 1.00 3.32 N ATOM 830 CA GLY A 50 -5.857 -16.384 0.544 1.00 62.30 C ATOM 831 C GLY A 50 -6.340 -15.444 1.637 1.00 43.14 C ATOM 832 O GLY A 50 -7.429 -14.873 1.532 1.00 0.45 O ATOM 0 H GLY A 50 -3.874 -15.856 0.096 1.00 3.32 H new ATOM 0 HA2 GLY A 50 -6.150 -15.982 -0.426 1.00 62.30 H new ATOM 0 HA3 GLY A 50 -6.359 -17.345 0.655 1.00 62.30 H new ATOM 836 N LYS A 51 -5.527 -15.290 2.689 1.00 1.00 N ATOM 837 CA LYS A 51 -5.865 -14.477 3.861 1.00 1.03 C ATOM 838 C LYS A 51 -5.710 -12.980 3.557 1.00 11.25 C ATOM 839 O LYS A 51 -4.682 -12.549 3.029 1.00 14.14 O ATOM 840 CB LYS A 51 -4.960 -14.877 5.048 1.00 44.25 C ATOM 841 CG LYS A 51 -5.191 -16.307 5.570 1.00 30.01 C ATOM 842 CD LYS A 51 -6.615 -16.530 6.140 1.00 32.42 C ATOM 843 CE LYS A 51 -6.791 -17.918 6.786 1.00 31.23 C ATOM 844 NZ LYS A 51 -8.177 -18.129 7.304 1.00 2.14 N ATOM 0 H LYS A 51 -4.609 -15.730 2.750 1.00 1.00 H new ATOM 0 HA LYS A 51 -6.907 -14.661 4.122 1.00 1.03 H new ATOM 0 HB2 LYS A 51 -3.918 -14.778 4.744 1.00 44.25 H new ATOM 0 HB3 LYS A 51 -5.122 -14.174 5.865 1.00 44.25 H new ATOM 0 HG2 LYS A 51 -5.017 -17.015 4.759 1.00 30.01 H new ATOM 0 HG3 LYS A 51 -4.458 -16.525 6.347 1.00 30.01 H new ATOM 0 HD2 LYS A 51 -6.829 -15.760 6.881 1.00 32.42 H new ATOM 0 HD3 LYS A 51 -7.344 -16.413 5.339 1.00 32.42 H new ATOM 0 HE2 LYS A 51 -6.558 -18.690 6.053 1.00 31.23 H new ATOM 0 HE3 LYS A 51 -6.079 -18.029 7.604 1.00 31.23 H new ATOM 0 HZ1 LYS A 51 -8.248 -19.075 7.729 1.00 2.14 H new ATOM 0 HZ2 LYS A 51 -8.392 -17.409 8.023 1.00 2.14 H new ATOM 0 HZ3 LYS A 51 -8.856 -18.050 6.520 1.00 2.14 H new ATOM 858 N ILE A 52 -6.728 -12.199 3.929 1.00 21.34 N ATOM 859 CA ILE A 52 -6.725 -10.740 3.746 1.00 71.22 C ATOM 860 C ILE A 52 -5.863 -10.100 4.849 1.00 40.41 C ATOM 861 O ILE A 52 -6.271 -10.012 6.012 1.00 41.12 O ATOM 862 CB ILE A 52 -8.185 -10.132 3.752 1.00 21.53 C ATOM 863 CG1 ILE A 52 -9.042 -10.760 2.602 1.00 43.51 C ATOM 864 CG2 ILE A 52 -8.153 -8.581 3.648 1.00 74.12 C ATOM 865 CD1 ILE A 52 -10.481 -10.265 2.514 1.00 15.23 C ATOM 0 H ILE A 52 -7.578 -12.557 4.365 1.00 21.34 H new ATOM 0 HA ILE A 52 -6.302 -10.517 2.767 1.00 71.22 H new ATOM 0 HB ILE A 52 -8.653 -10.383 4.704 1.00 21.53 H new ATOM 0 HG12 ILE A 52 -8.548 -10.558 1.652 1.00 43.51 H new ATOM 0 HG13 ILE A 52 -9.055 -11.842 2.731 1.00 43.51 H new ATOM 0 HG21 ILE A 52 -9.172 -8.195 3.655 1.00 74.12 H new ATOM 0 HG22 ILE A 52 -7.604 -8.171 4.496 1.00 74.12 H new ATOM 0 HG23 ILE A 52 -7.660 -8.289 2.721 1.00 74.12 H new ATOM 0 HD11 ILE A 52 -10.987 -10.761 1.686 1.00 15.23 H new ATOM 0 HD12 ILE A 52 -11.001 -10.491 3.445 1.00 15.23 H new ATOM 0 HD13 ILE A 52 -10.486 -9.188 2.349 1.00 15.23 H new ATOM 877 N LEU A 53 -4.644 -9.724 4.465 1.00 51.53 N ATOM 878 CA LEU A 53 -3.684 -9.049 5.339 1.00 55.53 C ATOM 879 C LEU A 53 -4.075 -7.573 5.502 1.00 52.40 C ATOM 880 O LEU A 53 -4.420 -6.906 4.516 1.00 74.03 O ATOM 881 CB LEU A 53 -2.264 -9.157 4.726 1.00 50.54 C ATOM 882 CG LEU A 53 -1.813 -10.586 4.288 1.00 42.12 C ATOM 883 CD1 LEU A 53 -0.383 -10.562 3.734 1.00 23.23 C ATOM 884 CD2 LEU A 53 -1.959 -11.615 5.428 1.00 45.23 C ATOM 0 H LEU A 53 -4.289 -9.882 3.522 1.00 51.53 H new ATOM 0 HA LEU A 53 -3.690 -9.525 6.320 1.00 55.53 H new ATOM 0 HB2 LEU A 53 -2.214 -8.500 3.858 1.00 50.54 H new ATOM 0 HB3 LEU A 53 -1.546 -8.778 5.454 1.00 50.54 H new ATOM 0 HG LEU A 53 -2.480 -10.907 3.488 1.00 42.12 H new ATOM 0 HD11 LEU A 53 -0.091 -11.569 3.436 1.00 23.23 H new ATOM 0 HD12 LEU A 53 -0.339 -9.900 2.869 1.00 23.23 H new ATOM 0 HD13 LEU A 53 0.299 -10.200 4.503 1.00 23.23 H new ATOM 0 HD21 LEU A 53 -1.634 -12.595 5.078 1.00 45.23 H new ATOM 0 HD22 LEU A 53 -1.344 -11.310 6.275 1.00 45.23 H new ATOM 0 HD23 LEU A 53 -3.003 -11.669 5.738 1.00 45.23 H new ATOM 896 N LYS A 54 -4.023 -7.076 6.739 1.00 32.32 N ATOM 897 CA LYS A 54 -4.273 -5.660 7.042 1.00 72.34 C ATOM 898 C LYS A 54 -2.933 -4.925 7.126 1.00 4.51 C ATOM 899 O LYS A 54 -1.993 -5.415 7.755 1.00 42.14 O ATOM 900 CB LYS A 54 -5.064 -5.502 8.367 1.00 72.40 C ATOM 901 CG LYS A 54 -6.418 -6.241 8.381 1.00 53.14 C ATOM 902 CD LYS A 54 -7.274 -5.938 9.634 1.00 64.02 C ATOM 903 CE LYS A 54 -7.677 -4.461 9.744 1.00 13.12 C ATOM 904 NZ LYS A 54 -8.498 -4.187 10.957 1.00 3.31 N ATOM 0 H LYS A 54 -3.807 -7.641 7.560 1.00 32.32 H new ATOM 0 HA LYS A 54 -4.880 -5.228 6.246 1.00 72.34 H new ATOM 0 HB2 LYS A 54 -4.452 -5.871 9.190 1.00 72.40 H new ATOM 0 HB3 LYS A 54 -5.238 -4.442 8.550 1.00 72.40 H new ATOM 0 HG2 LYS A 54 -6.982 -5.966 7.490 1.00 53.14 H new ATOM 0 HG3 LYS A 54 -6.238 -7.315 8.325 1.00 53.14 H new ATOM 0 HD2 LYS A 54 -8.173 -6.553 9.610 1.00 64.02 H new ATOM 0 HD3 LYS A 54 -6.716 -6.224 10.526 1.00 64.02 H new ATOM 0 HE2 LYS A 54 -6.780 -3.843 9.768 1.00 13.12 H new ATOM 0 HE3 LYS A 54 -8.239 -4.173 8.855 1.00 13.12 H new ATOM 0 HZ1 LYS A 54 -8.746 -3.177 10.988 1.00 3.31 H new ATOM 0 HZ2 LYS A 54 -9.368 -4.756 10.923 1.00 3.31 H new ATOM 0 HZ3 LYS A 54 -7.954 -4.436 11.808 1.00 3.31 H new ATOM 918 N GLY A 55 -2.856 -3.767 6.475 1.00 5.14 N ATOM 919 CA GLY A 55 -1.680 -2.903 6.505 1.00 53.32 C ATOM 920 C GLY A 55 -2.069 -1.480 6.805 1.00 20.21 C ATOM 921 O GLY A 55 -3.252 -1.155 6.805 1.00 44.24 O ATOM 0 H GLY A 55 -3.618 -3.398 5.905 1.00 5.14 H new ATOM 0 HA2 GLY A 55 -0.980 -3.260 7.260 1.00 53.32 H new ATOM 0 HA3 GLY A 55 -1.165 -2.949 5.546 1.00 53.32 H new ATOM 925 N LYS A 56 -1.091 -0.621 7.068 1.00 41.45 N ATOM 926 CA LYS A 56 -1.342 0.801 7.314 1.00 41.42 C ATOM 927 C LYS A 56 -0.192 1.616 6.747 1.00 31.12 C ATOM 928 O LYS A 56 0.981 1.267 6.930 1.00 73.31 O ATOM 929 CB LYS A 56 -1.538 1.080 8.825 1.00 15.43 C ATOM 930 CG LYS A 56 -1.696 2.579 9.190 1.00 41.34 C ATOM 931 CD LYS A 56 -2.002 2.816 10.687 1.00 54.42 C ATOM 932 CE LYS A 56 -3.360 2.239 11.116 1.00 3.23 C ATOM 933 NZ LYS A 56 -3.624 2.475 12.562 1.00 43.51 N ATOM 0 H LYS A 56 -0.107 -0.884 7.117 1.00 41.45 H new ATOM 0 HA LYS A 56 -2.265 1.094 6.814 1.00 41.42 H new ATOM 0 HB2 LYS A 56 -2.421 0.541 9.169 1.00 15.43 H new ATOM 0 HB3 LYS A 56 -0.685 0.675 9.369 1.00 15.43 H new ATOM 0 HG2 LYS A 56 -0.781 3.108 8.925 1.00 41.34 H new ATOM 0 HG3 LYS A 56 -2.498 3.009 8.590 1.00 41.34 H new ATOM 0 HD2 LYS A 56 -1.214 2.365 11.290 1.00 54.42 H new ATOM 0 HD3 LYS A 56 -1.986 3.887 10.891 1.00 54.42 H new ATOM 0 HE2 LYS A 56 -4.153 2.693 10.522 1.00 3.23 H new ATOM 0 HE3 LYS A 56 -3.382 1.169 10.912 1.00 3.23 H new ATOM 0 HZ1 LYS A 56 -4.069 1.631 12.976 1.00 43.51 H new ATOM 0 HZ2 LYS A 56 -2.727 2.668 13.052 1.00 43.51 H new ATOM 0 HZ3 LYS A 56 -4.260 3.291 12.670 1.00 43.51 H new ATOM 947 N ILE A 57 -0.557 2.693 6.049 1.00 13.32 N ATOM 948 CA ILE A 57 0.387 3.615 5.423 1.00 61.41 C ATOM 949 C ILE A 57 1.077 4.449 6.509 1.00 12.30 C ATOM 950 O ILE A 57 0.483 5.358 7.087 1.00 13.34 O ATOM 951 CB ILE A 57 -0.367 4.509 4.379 1.00 0.32 C ATOM 952 CG1 ILE A 57 -0.967 3.592 3.268 1.00 13.20 C ATOM 953 CG2 ILE A 57 0.552 5.611 3.787 1.00 32.15 C ATOM 954 CD1 ILE A 57 -1.913 4.273 2.314 1.00 71.45 C ATOM 0 H ILE A 57 -1.533 2.951 5.902 1.00 13.32 H new ATOM 0 HA ILE A 57 1.159 3.064 4.886 1.00 61.41 H new ATOM 0 HB ILE A 57 -1.178 5.036 4.882 1.00 0.32 H new ATOM 0 HG12 ILE A 57 -0.147 3.160 2.694 1.00 13.20 H new ATOM 0 HG13 ILE A 57 -1.492 2.765 3.746 1.00 13.20 H new ATOM 0 HG21 ILE A 57 -0.011 6.207 3.068 1.00 32.15 H new ATOM 0 HG22 ILE A 57 0.912 6.255 4.590 1.00 32.15 H new ATOM 0 HG23 ILE A 57 1.401 5.146 3.287 1.00 32.15 H new ATOM 0 HD11 ILE A 57 -2.274 3.551 1.582 1.00 71.45 H new ATOM 0 HD12 ILE A 57 -2.758 4.681 2.869 1.00 71.45 H new ATOM 0 HD13 ILE A 57 -1.392 5.081 1.800 1.00 71.45 H new ATOM 966 N VAL A 58 2.317 4.068 6.810 1.00 14.53 N ATOM 967 CA VAL A 58 3.122 4.671 7.891 1.00 33.34 C ATOM 968 C VAL A 58 4.090 5.736 7.347 1.00 55.03 C ATOM 969 O VAL A 58 4.557 6.603 8.099 1.00 55.01 O ATOM 970 CB VAL A 58 3.922 3.555 8.659 1.00 11.31 C ATOM 971 CG1 VAL A 58 2.960 2.579 9.384 1.00 4.11 C ATOM 972 CG2 VAL A 58 4.866 2.801 7.690 1.00 10.42 C ATOM 0 H VAL A 58 2.804 3.324 6.310 1.00 14.53 H new ATOM 0 HA VAL A 58 2.437 5.163 8.582 1.00 33.34 H new ATOM 0 HB VAL A 58 4.535 4.035 9.422 1.00 11.31 H new ATOM 0 HG11 VAL A 58 3.540 1.818 9.907 1.00 4.11 H new ATOM 0 HG12 VAL A 58 2.355 3.131 10.103 1.00 4.11 H new ATOM 0 HG13 VAL A 58 2.308 2.100 8.653 1.00 4.11 H new ATOM 0 HG21 VAL A 58 5.412 2.033 8.238 1.00 10.42 H new ATOM 0 HG22 VAL A 58 4.279 2.335 6.899 1.00 10.42 H new ATOM 0 HG23 VAL A 58 5.573 3.504 7.250 1.00 10.42 H new ATOM 982 N ARG A 59 4.366 5.687 6.030 1.00 2.15 N ATOM 983 CA ARG A 59 5.398 6.530 5.405 1.00 0.42 C ATOM 984 C ARG A 59 5.069 6.756 3.912 1.00 4.32 C ATOM 985 O ARG A 59 4.159 6.118 3.371 1.00 4.13 O ATOM 986 CB ARG A 59 6.802 5.857 5.588 1.00 44.41 C ATOM 987 CG ARG A 59 7.996 6.835 5.605 1.00 62.44 C ATOM 988 CD ARG A 59 7.942 7.805 6.805 1.00 60.25 C ATOM 989 NE ARG A 59 9.086 8.731 6.847 1.00 11.52 N ATOM 990 CZ ARG A 59 9.330 9.602 7.844 1.00 20.33 C ATOM 991 NH1 ARG A 59 8.515 9.684 8.900 1.00 63.30 N ATOM 992 NH2 ARG A 59 10.401 10.390 7.781 1.00 74.53 N ATOM 0 H ARG A 59 3.885 5.069 5.377 1.00 2.15 H new ATOM 0 HA ARG A 59 5.419 7.506 5.889 1.00 0.42 H new ATOM 0 HB2 ARG A 59 6.800 5.294 6.521 1.00 44.41 H new ATOM 0 HB3 ARG A 59 6.952 5.138 4.782 1.00 44.41 H new ATOM 0 HG2 ARG A 59 8.926 6.268 5.640 1.00 62.44 H new ATOM 0 HG3 ARG A 59 8.007 7.408 4.678 1.00 62.44 H new ATOM 0 HD2 ARG A 59 7.017 8.380 6.759 1.00 60.25 H new ATOM 0 HD3 ARG A 59 7.913 7.229 7.730 1.00 60.25 H new ATOM 0 HE ARG A 59 9.740 8.711 6.065 1.00 11.52 H new ATOM 0 HH11 ARG A 59 7.694 9.081 8.959 1.00 63.30 H new ATOM 0 HH12 ARG A 59 8.714 10.349 9.647 1.00 63.30 H new ATOM 0 HH21 ARG A 59 11.031 10.332 6.981 1.00 74.53 H new ATOM 0 HH22 ARG A 59 10.592 11.052 8.533 1.00 74.53 H new ATOM 1006 N VAL A 60 5.787 7.699 3.268 1.00 20.55 N ATOM 1007 CA VAL A 60 5.660 7.977 1.811 1.00 63.13 C ATOM 1008 C VAL A 60 6.809 7.310 1.037 1.00 2.30 C ATOM 1009 O VAL A 60 7.769 6.812 1.640 1.00 54.41 O ATOM 1010 CB VAL A 60 5.643 9.527 1.502 1.00 71.44 C ATOM 1011 CG1 VAL A 60 4.488 10.216 2.238 1.00 72.45 C ATOM 1012 CG2 VAL A 60 6.985 10.211 1.850 1.00 24.31 C ATOM 0 H VAL A 60 6.472 8.292 3.737 1.00 20.55 H new ATOM 0 HA VAL A 60 4.707 7.559 1.486 1.00 63.13 H new ATOM 0 HB VAL A 60 5.493 9.633 0.428 1.00 71.44 H new ATOM 0 HG11 VAL A 60 4.496 11.282 2.011 1.00 72.45 H new ATOM 0 HG12 VAL A 60 3.541 9.783 1.915 1.00 72.45 H new ATOM 0 HG13 VAL A 60 4.605 10.073 3.312 1.00 72.45 H new ATOM 0 HG21 VAL A 60 6.922 11.274 1.619 1.00 24.31 H new ATOM 0 HG22 VAL A 60 7.195 10.082 2.912 1.00 24.31 H new ATOM 0 HG23 VAL A 60 7.786 9.760 1.264 1.00 24.31 H new ATOM 1022 N HIS A 61 6.693 7.306 -0.299 1.00 73.24 N ATOM 1023 CA HIS A 61 7.728 6.784 -1.207 1.00 1.22 C ATOM 1024 C HIS A 61 7.818 7.692 -2.448 1.00 4.44 C ATOM 1025 O HIS A 61 6.953 7.638 -3.335 1.00 24.10 O ATOM 1026 CB HIS A 61 7.417 5.321 -1.630 1.00 52.21 C ATOM 1027 CG HIS A 61 8.511 4.699 -2.445 1.00 5.31 C ATOM 1028 ND1 HIS A 61 8.585 4.805 -3.817 1.00 72.34 N ATOM 1029 CD2 HIS A 61 9.590 3.975 -2.075 1.00 64.24 C ATOM 1030 CE1 HIS A 61 9.658 4.173 -4.245 1.00 41.25 C ATOM 1031 NE2 HIS A 61 10.281 3.665 -3.210 1.00 40.14 N ATOM 0 H HIS A 61 5.872 7.668 -0.785 1.00 73.24 H new ATOM 0 HA HIS A 61 8.685 6.781 -0.685 1.00 1.22 H new ATOM 0 HB2 HIS A 61 7.250 4.719 -0.737 1.00 52.21 H new ATOM 0 HB3 HIS A 61 6.490 5.304 -2.204 1.00 52.21 H new ATOM 0 HD2 HIS A 61 9.856 3.694 -1.067 1.00 64.24 H new ATOM 0 HE1 HIS A 61 9.972 4.088 -5.275 1.00 41.25 H new ATOM 0 HE2 HIS A 61 11.145 3.124 -3.247 1.00 40.14 H new ATOM 1040 N GLY A 62 8.870 8.525 -2.491 1.00 64.01 N ATOM 1041 CA GLY A 62 9.126 9.426 -3.616 1.00 14.44 C ATOM 1042 C GLY A 62 8.098 10.551 -3.743 1.00 4.42 C ATOM 1043 O GLY A 62 7.245 10.728 -2.868 1.00 11.22 O ATOM 0 H GLY A 62 9.564 8.590 -1.746 1.00 64.01 H new ATOM 0 HA2 GLY A 62 10.118 9.863 -3.503 1.00 14.44 H new ATOM 0 HA3 GLY A 62 9.136 8.847 -4.540 1.00 14.44 H new ATOM 1047 N THR A 63 8.196 11.304 -4.843 1.00 41.40 N ATOM 1048 CA THR A 63 7.249 12.378 -5.200 1.00 70.11 C ATOM 1049 C THR A 63 6.098 11.854 -6.087 1.00 51.51 C ATOM 1050 O THR A 63 5.212 12.618 -6.480 1.00 63.43 O ATOM 1051 CB THR A 63 8.010 13.545 -5.908 1.00 2.34 C ATOM 1052 OG1 THR A 63 8.882 13.010 -6.925 1.00 14.31 O ATOM 1053 CG2 THR A 63 8.831 14.372 -4.906 1.00 33.42 C ATOM 0 H THR A 63 8.946 11.187 -5.525 1.00 41.40 H new ATOM 0 HA THR A 63 6.800 12.753 -4.280 1.00 70.11 H new ATOM 0 HB THR A 63 7.270 14.203 -6.362 1.00 2.34 H new ATOM 0 HG1 THR A 63 9.356 13.744 -7.368 1.00 14.31 H new ATOM 0 HG21 THR A 63 9.347 15.175 -5.433 1.00 33.42 H new ATOM 0 HG22 THR A 63 8.166 14.799 -4.156 1.00 33.42 H new ATOM 0 HG23 THR A 63 9.563 13.729 -4.418 1.00 33.42 H new ATOM 1061 N LYS A 64 6.100 10.530 -6.338 1.00 52.35 N ATOM 1062 CA LYS A 64 5.196 9.859 -7.299 1.00 35.25 C ATOM 1063 C LYS A 64 3.832 9.513 -6.669 1.00 43.23 C ATOM 1064 O LYS A 64 2.952 8.986 -7.353 1.00 23.03 O ATOM 1065 CB LYS A 64 5.882 8.571 -7.869 1.00 12.44 C ATOM 1066 CG LYS A 64 6.997 8.816 -8.923 1.00 73.15 C ATOM 1067 CD LYS A 64 8.200 9.628 -8.388 1.00 4.20 C ATOM 1068 CE LYS A 64 9.220 9.969 -9.483 1.00 21.14 C ATOM 1069 NZ LYS A 64 10.245 10.943 -9.013 1.00 51.21 N ATOM 0 H LYS A 64 6.739 9.885 -5.873 1.00 52.35 H new ATOM 0 HA LYS A 64 5.003 10.556 -8.115 1.00 35.25 H new ATOM 0 HB2 LYS A 64 6.309 8.010 -7.038 1.00 12.44 H new ATOM 0 HB3 LYS A 64 5.115 7.940 -8.318 1.00 12.44 H new ATOM 0 HG2 LYS A 64 7.355 7.854 -9.289 1.00 73.15 H new ATOM 0 HG3 LYS A 64 6.567 9.341 -9.776 1.00 73.15 H new ATOM 0 HD2 LYS A 64 7.837 10.551 -7.935 1.00 4.20 H new ATOM 0 HD3 LYS A 64 8.695 9.060 -7.601 1.00 4.20 H new ATOM 0 HE2 LYS A 64 9.714 9.056 -9.814 1.00 21.14 H new ATOM 0 HE3 LYS A 64 8.699 10.381 -10.347 1.00 21.14 H new ATOM 0 HZ1 LYS A 64 10.608 11.484 -9.824 1.00 51.21 H new ATOM 0 HZ2 LYS A 64 9.815 11.595 -8.327 1.00 51.21 H new ATOM 0 HZ3 LYS A 64 11.029 10.431 -8.560 1.00 51.21 H new ATOM 1083 N GLY A 65 3.668 9.788 -5.360 1.00 14.23 N ATOM 1084 CA GLY A 65 2.422 9.487 -4.650 1.00 61.22 C ATOM 1085 C GLY A 65 2.356 8.066 -4.135 1.00 74.14 C ATOM 1086 O GLY A 65 1.369 7.687 -3.490 1.00 43.21 O ATOM 0 H GLY A 65 4.387 10.218 -4.778 1.00 14.23 H new ATOM 0 HA2 GLY A 65 2.314 10.175 -3.812 1.00 61.22 H new ATOM 0 HA3 GLY A 65 1.579 9.664 -5.318 1.00 61.22 H new ATOM 1090 N ALA A 66 3.409 7.279 -4.423 1.00 41.20 N ATOM 1091 CA ALA A 66 3.562 5.936 -3.885 1.00 31.15 C ATOM 1092 C ALA A 66 3.724 6.016 -2.362 1.00 71.12 C ATOM 1093 O ALA A 66 4.428 6.888 -1.852 1.00 12.31 O ATOM 1094 CB ALA A 66 4.762 5.230 -4.531 1.00 72.12 C ATOM 0 H ALA A 66 4.172 7.566 -5.036 1.00 41.20 H new ATOM 0 HA ALA A 66 2.672 5.350 -4.115 1.00 31.15 H new ATOM 0 HB1 ALA A 66 4.861 4.227 -4.116 1.00 72.12 H new ATOM 0 HB2 ALA A 66 4.609 5.164 -5.608 1.00 72.12 H new ATOM 0 HB3 ALA A 66 5.670 5.797 -4.328 1.00 72.12 H new ATOM 1100 N VAL A 67 3.019 5.142 -1.655 1.00 61.34 N ATOM 1101 CA VAL A 67 3.017 5.084 -0.188 1.00 42.23 C ATOM 1102 C VAL A 67 3.705 3.799 0.312 1.00 55.22 C ATOM 1103 O VAL A 67 3.823 2.810 -0.419 1.00 75.22 O ATOM 1104 CB VAL A 67 1.542 5.161 0.356 1.00 64.13 C ATOM 1105 CG1 VAL A 67 0.902 6.535 0.049 1.00 0.21 C ATOM 1106 CG2 VAL A 67 0.661 4.018 -0.205 1.00 23.23 C ATOM 0 H VAL A 67 2.420 4.439 -2.087 1.00 61.34 H new ATOM 0 HA VAL A 67 3.578 5.939 0.189 1.00 42.23 H new ATOM 0 HB VAL A 67 1.597 5.040 1.438 1.00 64.13 H new ATOM 0 HG11 VAL A 67 -0.116 6.557 0.437 1.00 0.21 H new ATOM 0 HG12 VAL A 67 1.488 7.323 0.522 1.00 0.21 H new ATOM 0 HG13 VAL A 67 0.883 6.695 -1.029 1.00 0.21 H new ATOM 0 HG21 VAL A 67 -0.349 4.107 0.195 1.00 23.23 H new ATOM 0 HG22 VAL A 67 0.628 4.084 -1.292 1.00 23.23 H new ATOM 0 HG23 VAL A 67 1.083 3.056 0.087 1.00 23.23 H new ATOM 1116 N ARG A 68 4.183 3.849 1.560 1.00 50.11 N ATOM 1117 CA ARG A 68 4.766 2.700 2.262 1.00 45.04 C ATOM 1118 C ARG A 68 3.780 2.206 3.328 1.00 1.34 C ATOM 1119 O ARG A 68 3.540 2.889 4.335 1.00 21.30 O ATOM 1120 CB ARG A 68 6.132 3.084 2.900 1.00 44.43 C ATOM 1121 CG ARG A 68 6.739 1.984 3.802 1.00 61.11 C ATOM 1122 CD ARG A 68 8.153 2.308 4.306 1.00 41.20 C ATOM 1123 NE ARG A 68 9.156 2.285 3.231 1.00 73.14 N ATOM 1124 CZ ARG A 68 10.469 2.523 3.384 1.00 14.31 C ATOM 1125 NH1 ARG A 68 10.990 2.816 4.585 1.00 34.34 N ATOM 1126 NH2 ARG A 68 11.260 2.470 2.316 1.00 75.11 N ATOM 0 H ARG A 68 4.176 4.702 2.119 1.00 50.11 H new ATOM 0 HA ARG A 68 4.950 1.896 1.550 1.00 45.04 H new ATOM 0 HB2 ARG A 68 6.839 3.318 2.104 1.00 44.43 H new ATOM 0 HB3 ARG A 68 6.003 3.992 3.489 1.00 44.43 H new ATOM 0 HG2 ARG A 68 6.084 1.828 4.659 1.00 61.11 H new ATOM 0 HG3 ARG A 68 6.767 1.046 3.247 1.00 61.11 H new ATOM 0 HD2 ARG A 68 8.151 3.292 4.775 1.00 41.20 H new ATOM 0 HD3 ARG A 68 8.434 1.589 5.075 1.00 41.20 H new ATOM 0 HE ARG A 68 8.827 2.070 2.290 1.00 73.14 H new ATOM 0 HH11 ARG A 68 10.386 2.862 5.406 1.00 34.34 H new ATOM 0 HH12 ARG A 68 11.990 2.993 4.678 1.00 34.34 H new ATOM 0 HH21 ARG A 68 10.867 2.252 1.401 1.00 75.11 H new ATOM 0 HH22 ARG A 68 12.260 2.648 2.412 1.00 75.11 H new ATOM 1140 N ALA A 69 3.191 1.030 3.079 1.00 43.43 N ATOM 1141 CA ALA A 69 2.250 0.387 4.001 1.00 61.34 C ATOM 1142 C ALA A 69 2.912 -0.824 4.679 1.00 73.03 C ATOM 1143 O ALA A 69 3.387 -1.738 4.000 1.00 25.31 O ATOM 1144 CB ALA A 69 0.974 -0.027 3.245 1.00 51.24 C ATOM 0 H ALA A 69 3.356 0.495 2.226 1.00 43.43 H new ATOM 0 HA ALA A 69 1.970 1.096 4.780 1.00 61.34 H new ATOM 0 HB1 ALA A 69 0.280 -0.504 3.937 1.00 51.24 H new ATOM 0 HB2 ALA A 69 0.505 0.856 2.812 1.00 51.24 H new ATOM 0 HB3 ALA A 69 1.233 -0.727 2.450 1.00 51.24 H new ATOM 1150 N ARG A 70 2.964 -0.806 6.020 1.00 55.40 N ATOM 1151 CA ARG A 70 3.430 -1.951 6.819 1.00 33.23 C ATOM 1152 C ARG A 70 2.238 -2.885 7.114 1.00 62.24 C ATOM 1153 O ARG A 70 1.314 -2.511 7.845 1.00 60.12 O ATOM 1154 CB ARG A 70 4.066 -1.475 8.157 1.00 0.41 C ATOM 1155 CG ARG A 70 5.458 -0.817 8.046 1.00 71.24 C ATOM 1156 CD ARG A 70 5.983 -0.362 9.427 1.00 2.13 C ATOM 1157 NE ARG A 70 7.357 0.174 9.364 1.00 4.14 N ATOM 1158 CZ ARG A 70 7.863 1.111 10.190 1.00 34.55 C ATOM 1159 NH1 ARG A 70 7.116 1.653 11.158 1.00 71.43 N ATOM 1160 NH2 ARG A 70 9.135 1.480 10.064 1.00 33.21 N ATOM 0 H ARG A 70 2.685 -0.000 6.580 1.00 55.40 H new ATOM 0 HA ARG A 70 4.191 -2.486 6.251 1.00 33.23 H new ATOM 0 HB2 ARG A 70 3.386 -0.764 8.627 1.00 0.41 H new ATOM 0 HB3 ARG A 70 4.143 -2.333 8.825 1.00 0.41 H new ATOM 0 HG2 ARG A 70 6.161 -1.523 7.603 1.00 71.24 H new ATOM 0 HG3 ARG A 70 5.403 0.041 7.376 1.00 71.24 H new ATOM 0 HD2 ARG A 70 5.318 0.401 9.831 1.00 2.13 H new ATOM 0 HD3 ARG A 70 5.957 -1.205 10.117 1.00 2.13 H new ATOM 0 HE ARG A 70 7.972 -0.194 8.638 1.00 4.14 H new ATOM 0 HH11 ARG A 70 6.147 1.358 11.280 1.00 71.43 H new ATOM 0 HH12 ARG A 70 7.515 2.361 11.774 1.00 71.43 H new ATOM 0 HH21 ARG A 70 9.721 1.054 9.346 1.00 33.21 H new ATOM 0 HH22 ARG A 70 9.524 2.189 10.686 1.00 33.21 H new ATOM 1174 N PHE A 71 2.254 -4.084 6.508 1.00 5.53 N ATOM 1175 CA PHE A 71 1.245 -5.132 6.746 1.00 13.34 C ATOM 1176 C PHE A 71 1.641 -6.007 7.946 1.00 50.41 C ATOM 1177 O PHE A 71 2.827 -6.261 8.161 1.00 2.53 O ATOM 1178 CB PHE A 71 1.053 -6.003 5.473 1.00 1.51 C ATOM 1179 CG PHE A 71 0.294 -5.308 4.346 1.00 1.23 C ATOM 1180 CD1 PHE A 71 0.890 -4.306 3.582 1.00 40.52 C ATOM 1181 CD2 PHE A 71 -1.033 -5.645 4.066 1.00 51.33 C ATOM 1182 CE1 PHE A 71 0.193 -3.683 2.566 1.00 71.54 C ATOM 1183 CE2 PHE A 71 -1.725 -5.021 3.053 1.00 4.20 C ATOM 1184 CZ PHE A 71 -1.116 -4.035 2.309 1.00 30.15 C ATOM 0 H PHE A 71 2.971 -4.356 5.835 1.00 5.53 H new ATOM 0 HA PHE A 71 0.297 -4.647 6.977 1.00 13.34 H new ATOM 0 HB2 PHE A 71 2.032 -6.306 5.103 1.00 1.51 H new ATOM 0 HB3 PHE A 71 0.520 -6.914 5.747 1.00 1.51 H new ATOM 0 HD1 PHE A 71 1.909 -4.013 3.787 1.00 40.52 H new ATOM 0 HD2 PHE A 71 -1.523 -6.407 4.654 1.00 51.33 H new ATOM 0 HE1 PHE A 71 0.673 -2.919 1.972 1.00 71.54 H new ATOM 0 HE2 PHE A 71 -2.745 -5.305 2.842 1.00 4.20 H new ATOM 0 HZ PHE A 71 -1.664 -3.537 1.523 1.00 30.15 H new ATOM 1194 N GLU A 72 0.614 -6.486 8.676 1.00 51.31 N ATOM 1195 CA GLU A 72 0.748 -7.340 9.881 1.00 1.12 C ATOM 1196 C GLU A 72 1.695 -8.539 9.634 1.00 13.43 C ATOM 1197 O GLU A 72 2.622 -8.801 10.413 1.00 72.25 O ATOM 1198 CB GLU A 72 -0.674 -7.844 10.305 1.00 52.23 C ATOM 1199 CG GLU A 72 -1.512 -8.432 9.133 1.00 24.41 C ATOM 1200 CD GLU A 72 -2.807 -9.126 9.570 1.00 63.51 C ATOM 1201 OE1 GLU A 72 -2.750 -10.310 9.960 1.00 40.31 O ATOM 1202 OE2 GLU A 72 -3.886 -8.506 9.504 1.00 33.01 O ATOM 0 H GLU A 72 -0.358 -6.286 8.441 1.00 51.31 H new ATOM 0 HA GLU A 72 1.188 -6.746 10.682 1.00 1.12 H new ATOM 0 HB2 GLU A 72 -0.563 -8.606 11.077 1.00 52.23 H new ATOM 0 HB3 GLU A 72 -1.224 -7.015 10.751 1.00 52.23 H new ATOM 0 HG2 GLU A 72 -1.760 -7.628 8.440 1.00 24.41 H new ATOM 0 HG3 GLU A 72 -0.898 -9.146 8.585 1.00 24.41 H new ATOM 1209 N LYS A 73 1.470 -9.214 8.507 1.00 44.01 N ATOM 1210 CA LYS A 73 2.223 -10.397 8.093 1.00 71.24 C ATOM 1211 C LYS A 73 3.107 -10.016 6.917 1.00 75.22 C ATOM 1212 O LYS A 73 4.337 -10.123 6.981 1.00 72.44 O ATOM 1213 CB LYS A 73 1.239 -11.526 7.682 1.00 22.25 C ATOM 1214 CG LYS A 73 0.244 -11.943 8.792 1.00 11.14 C ATOM 1215 CD LYS A 73 0.919 -12.607 10.015 1.00 11.24 C ATOM 1216 CE LYS A 73 1.714 -13.876 9.650 1.00 53.21 C ATOM 1217 NZ LYS A 73 0.874 -14.902 8.971 1.00 51.02 N ATOM 0 H LYS A 73 0.744 -8.948 7.842 1.00 44.01 H new ATOM 0 HA LYS A 73 2.840 -10.759 8.915 1.00 71.24 H new ATOM 0 HB2 LYS A 73 0.674 -11.199 6.809 1.00 22.25 H new ATOM 0 HB3 LYS A 73 1.815 -12.401 7.380 1.00 22.25 H new ATOM 0 HG2 LYS A 73 -0.305 -11.062 9.125 1.00 11.14 H new ATOM 0 HG3 LYS A 73 -0.487 -12.634 8.372 1.00 11.14 H new ATOM 0 HD2 LYS A 73 1.589 -11.889 10.487 1.00 11.24 H new ATOM 0 HD3 LYS A 73 0.156 -12.862 10.750 1.00 11.24 H new ATOM 0 HE2 LYS A 73 2.546 -13.605 9.000 1.00 53.21 H new ATOM 0 HE3 LYS A 73 2.143 -14.304 10.556 1.00 53.21 H new ATOM 0 HZ1 LYS A 73 1.443 -15.754 8.793 1.00 51.02 H new ATOM 0 HZ2 LYS A 73 0.066 -15.146 9.578 1.00 51.02 H new ATOM 0 HZ3 LYS A 73 0.526 -14.523 8.067 1.00 51.02 H new ATOM 1231 N GLY A 74 2.442 -9.517 5.852 1.00 20.14 N ATOM 1232 CA GLY A 74 3.112 -9.198 4.607 1.00 53.40 C ATOM 1233 C GLY A 74 3.708 -10.438 3.956 1.00 53.12 C ATOM 1234 O GLY A 74 4.919 -10.506 3.731 1.00 14.34 O ATOM 0 H GLY A 74 1.439 -9.332 5.847 1.00 20.14 H new ATOM 0 HA2 GLY A 74 2.404 -8.731 3.922 1.00 53.40 H new ATOM 0 HA3 GLY A 74 3.901 -8.470 4.794 1.00 53.40 H new ATOM 1238 N LEU A 75 2.848 -11.438 3.692 1.00 4.43 N ATOM 1239 CA LEU A 75 3.265 -12.698 3.080 1.00 3.21 C ATOM 1240 C LEU A 75 3.709 -12.446 1.626 1.00 64.33 C ATOM 1241 O LEU A 75 2.897 -12.027 0.792 1.00 31.20 O ATOM 1242 CB LEU A 75 2.140 -13.768 3.151 1.00 51.31 C ATOM 1243 CG LEU A 75 1.883 -14.361 4.567 1.00 64.03 C ATOM 1244 CD1 LEU A 75 0.804 -15.462 4.520 1.00 44.22 C ATOM 1245 CD2 LEU A 75 3.204 -14.883 5.192 1.00 13.31 C ATOM 0 H LEU A 75 1.850 -11.389 3.898 1.00 4.43 H new ATOM 0 HA LEU A 75 4.111 -13.094 3.642 1.00 3.21 H new ATOM 0 HB2 LEU A 75 1.214 -13.324 2.786 1.00 51.31 H new ATOM 0 HB3 LEU A 75 2.392 -14.583 2.473 1.00 51.31 H new ATOM 0 HG LEU A 75 1.506 -13.564 5.207 1.00 64.03 H new ATOM 0 HD11 LEU A 75 0.645 -15.858 5.523 1.00 44.22 H new ATOM 0 HD12 LEU A 75 -0.129 -15.042 4.144 1.00 44.22 H new ATOM 0 HD13 LEU A 75 1.132 -16.265 3.860 1.00 44.22 H new ATOM 0 HD21 LEU A 75 3.001 -15.293 6.181 1.00 13.31 H new ATOM 0 HD22 LEU A 75 3.625 -15.662 4.556 1.00 13.31 H new ATOM 0 HD23 LEU A 75 3.915 -14.061 5.279 1.00 13.31 H new ATOM 1257 N PRO A 76 5.024 -12.681 1.325 1.00 33.54 N ATOM 1258 CA PRO A 76 5.625 -12.365 0.015 1.00 32.33 C ATOM 1259 C PRO A 76 5.078 -13.276 -1.106 1.00 42.01 C ATOM 1260 O PRO A 76 4.465 -14.320 -0.837 1.00 2.13 O ATOM 1261 CB PRO A 76 7.157 -12.578 0.256 1.00 31.11 C ATOM 1262 CG PRO A 76 7.315 -12.719 1.750 1.00 61.44 C ATOM 1263 CD PRO A 76 6.024 -13.312 2.224 1.00 73.12 C ATOM 0 HA PRO A 76 5.392 -11.356 -0.324 1.00 32.33 H new ATOM 0 HB2 PRO A 76 7.516 -13.467 -0.262 1.00 31.11 H new ATOM 0 HB3 PRO A 76 7.735 -11.734 -0.122 1.00 31.11 H new ATOM 0 HG2 PRO A 76 8.159 -13.362 1.998 1.00 61.44 H new ATOM 0 HG3 PRO A 76 7.501 -11.753 2.220 1.00 61.44 H new ATOM 0 HD2 PRO A 76 6.020 -14.398 2.134 1.00 73.12 H new ATOM 0 HD3 PRO A 76 5.831 -13.078 3.271 1.00 73.12 H new ATOM 1271 N GLY A 77 5.313 -12.865 -2.348 1.00 42.11 N ATOM 1272 CA GLY A 77 4.831 -13.587 -3.520 1.00 0.54 C ATOM 1273 C GLY A 77 5.046 -12.781 -4.785 1.00 22.44 C ATOM 1274 O GLY A 77 5.349 -11.588 -4.717 1.00 75.21 O ATOM 0 H GLY A 77 5.843 -12.022 -2.570 1.00 42.11 H new ATOM 0 HA2 GLY A 77 5.350 -14.542 -3.601 1.00 0.54 H new ATOM 0 HA3 GLY A 77 3.770 -13.810 -3.403 1.00 0.54 H new ATOM 1278 N GLN A 78 4.867 -13.415 -5.951 1.00 3.42 N ATOM 1279 CA GLN A 78 5.056 -12.764 -7.268 1.00 45.43 C ATOM 1280 C GLN A 78 3.777 -12.022 -7.732 1.00 54.22 C ATOM 1281 O GLN A 78 3.571 -11.805 -8.929 1.00 5.14 O ATOM 1282 CB GLN A 78 5.522 -13.821 -8.311 1.00 45.15 C ATOM 1283 CG GLN A 78 4.581 -15.026 -8.502 1.00 14.11 C ATOM 1284 CD GLN A 78 5.118 -16.037 -9.524 1.00 44.15 C ATOM 1285 OE1 GLN A 78 5.833 -16.981 -9.176 1.00 70.54 O ATOM 1286 NE2 GLN A 78 4.790 -15.843 -10.790 1.00 32.33 N ATOM 0 H GLN A 78 4.587 -14.394 -6.015 1.00 3.42 H new ATOM 0 HA GLN A 78 5.832 -12.004 -7.173 1.00 45.43 H new ATOM 0 HB2 GLN A 78 5.648 -13.325 -9.273 1.00 45.15 H new ATOM 0 HB3 GLN A 78 6.503 -14.192 -8.013 1.00 45.15 H new ATOM 0 HG2 GLN A 78 4.437 -15.525 -7.544 1.00 14.11 H new ATOM 0 HG3 GLN A 78 3.603 -14.671 -8.827 1.00 14.11 H new ATOM 0 HE21 GLN A 78 4.197 -15.054 -11.048 1.00 32.33 H new ATOM 0 HE22 GLN A 78 5.130 -16.482 -11.509 1.00 32.33 H new ATOM 1295 N ALA A 79 2.969 -11.550 -6.758 1.00 63.52 N ATOM 1296 CA ALA A 79 1.715 -10.804 -6.996 1.00 50.21 C ATOM 1297 C ALA A 79 1.987 -9.294 -7.207 1.00 71.33 C ATOM 1298 O ALA A 79 1.101 -8.460 -6.999 1.00 13.44 O ATOM 1299 CB ALA A 79 0.760 -11.039 -5.805 1.00 13.35 C ATOM 0 H ALA A 79 3.174 -11.679 -5.767 1.00 63.52 H new ATOM 0 HA ALA A 79 1.249 -11.170 -7.911 1.00 50.21 H new ATOM 0 HB1 ALA A 79 -0.169 -10.493 -5.970 1.00 13.35 H new ATOM 0 HB2 ALA A 79 0.544 -12.104 -5.716 1.00 13.35 H new ATOM 0 HB3 ALA A 79 1.230 -10.686 -4.887 1.00 13.35 H new ATOM 1305 N LEU A 80 3.222 -8.957 -7.635 1.00 51.35 N ATOM 1306 CA LEU A 80 3.616 -7.587 -7.988 1.00 65.35 C ATOM 1307 C LEU A 80 2.791 -7.108 -9.200 1.00 62.03 C ATOM 1308 O LEU A 80 2.906 -7.667 -10.298 1.00 71.20 O ATOM 1309 CB LEU A 80 5.139 -7.540 -8.295 1.00 12.04 C ATOM 1310 CG LEU A 80 6.084 -7.961 -7.129 1.00 73.00 C ATOM 1311 CD1 LEU A 80 7.561 -7.956 -7.576 1.00 11.04 C ATOM 1312 CD2 LEU A 80 5.867 -7.057 -5.904 1.00 63.43 C ATOM 0 H LEU A 80 3.975 -9.636 -7.744 1.00 51.35 H new ATOM 0 HA LEU A 80 3.417 -6.919 -7.150 1.00 65.35 H new ATOM 0 HB2 LEU A 80 5.338 -8.187 -9.149 1.00 12.04 H new ATOM 0 HB3 LEU A 80 5.397 -6.525 -8.597 1.00 12.04 H new ATOM 0 HG LEU A 80 5.835 -8.983 -6.843 1.00 73.00 H new ATOM 0 HD11 LEU A 80 8.195 -8.254 -6.741 1.00 11.04 H new ATOM 0 HD12 LEU A 80 7.694 -8.657 -8.400 1.00 11.04 H new ATOM 0 HD13 LEU A 80 7.839 -6.954 -7.903 1.00 11.04 H new ATOM 0 HD21 LEU A 80 6.535 -7.366 -5.101 1.00 63.43 H new ATOM 0 HD22 LEU A 80 6.078 -6.022 -6.174 1.00 63.43 H new ATOM 0 HD23 LEU A 80 4.833 -7.141 -5.568 1.00 63.43 H new ATOM 1324 N GLY A 81 1.936 -6.100 -8.967 1.00 4.50 N ATOM 1325 CA GLY A 81 1.009 -5.578 -9.978 1.00 3.25 C ATOM 1326 C GLY A 81 -0.451 -5.733 -9.566 1.00 21.24 C ATOM 1327 O GLY A 81 -1.347 -5.237 -10.256 1.00 5.34 O ATOM 0 H GLY A 81 1.870 -5.623 -8.068 1.00 4.50 H new ATOM 0 HA2 GLY A 81 1.224 -4.524 -10.154 1.00 3.25 H new ATOM 0 HA3 GLY A 81 1.174 -6.098 -10.921 1.00 3.25 H new ATOM 1331 N ASP A 82 -0.689 -6.412 -8.429 1.00 52.44 N ATOM 1332 CA ASP A 82 -2.046 -6.704 -7.922 1.00 53.31 C ATOM 1333 C ASP A 82 -2.642 -5.485 -7.190 1.00 25.22 C ATOM 1334 O ASP A 82 -1.900 -4.673 -6.640 1.00 21.41 O ATOM 1335 CB ASP A 82 -2.001 -7.938 -6.986 1.00 70.02 C ATOM 1336 CG ASP A 82 -3.395 -8.384 -6.520 1.00 43.21 C ATOM 1337 OD1 ASP A 82 -4.148 -8.943 -7.343 1.00 53.20 O ATOM 1338 OD2 ASP A 82 -3.738 -8.205 -5.335 1.00 32.03 O ATOM 0 H ASP A 82 0.055 -6.775 -7.833 1.00 52.44 H new ATOM 0 HA ASP A 82 -2.693 -6.925 -8.771 1.00 53.31 H new ATOM 0 HB2 ASP A 82 -1.515 -8.764 -7.505 1.00 70.02 H new ATOM 0 HB3 ASP A 82 -1.389 -7.705 -6.115 1.00 70.02 H new ATOM 1343 N TYR A 83 -3.984 -5.373 -7.175 1.00 1.24 N ATOM 1344 CA TYR A 83 -4.682 -4.237 -6.558 1.00 13.42 C ATOM 1345 C TYR A 83 -4.906 -4.455 -5.052 1.00 61.51 C ATOM 1346 O TYR A 83 -5.150 -5.578 -4.601 1.00 12.44 O ATOM 1347 CB TYR A 83 -6.044 -3.992 -7.248 1.00 24.54 C ATOM 1348 CG TYR A 83 -5.967 -3.569 -8.724 1.00 31.31 C ATOM 1349 CD1 TYR A 83 -5.720 -2.243 -9.077 1.00 51.11 C ATOM 1350 CD2 TYR A 83 -6.150 -4.488 -9.764 1.00 4.30 C ATOM 1351 CE1 TYR A 83 -5.682 -1.848 -10.401 1.00 73.33 C ATOM 1352 CE2 TYR A 83 -6.117 -4.095 -11.093 1.00 71.00 C ATOM 1353 CZ TYR A 83 -5.872 -2.777 -11.406 1.00 32.43 C ATOM 1354 OH TYR A 83 -5.842 -2.376 -12.728 1.00 64.34 O ATOM 0 H TYR A 83 -4.609 -6.065 -7.589 1.00 1.24 H new ATOM 0 HA TYR A 83 -4.045 -3.362 -6.689 1.00 13.42 H new ATOM 0 HB2 TYR A 83 -6.637 -4.904 -7.179 1.00 24.54 H new ATOM 0 HB3 TYR A 83 -6.580 -3.221 -6.694 1.00 24.54 H new ATOM 0 HD1 TYR A 83 -5.555 -1.510 -8.301 1.00 51.11 H new ATOM 0 HD2 TYR A 83 -6.321 -5.527 -9.525 1.00 4.30 H new ATOM 0 HE1 TYR A 83 -5.504 -0.812 -10.650 1.00 73.33 H new ATOM 0 HE2 TYR A 83 -6.282 -4.818 -11.878 1.00 71.00 H new ATOM 0 HH TYR A 83 -5.992 -3.151 -13.308 1.00 64.34 H new ATOM 1364 N VAL A 84 -4.834 -3.350 -4.294 1.00 34.41 N ATOM 1365 CA VAL A 84 -5.189 -3.303 -2.864 1.00 25.42 C ATOM 1366 C VAL A 84 -6.391 -2.351 -2.676 1.00 42.35 C ATOM 1367 O VAL A 84 -6.640 -1.479 -3.528 1.00 5.35 O ATOM 1368 CB VAL A 84 -3.979 -2.813 -1.973 1.00 71.24 C ATOM 1369 CG1 VAL A 84 -2.719 -3.678 -2.186 1.00 4.35 C ATOM 1370 CG2 VAL A 84 -3.657 -1.323 -2.209 1.00 3.31 C ATOM 0 H VAL A 84 -4.523 -2.450 -4.661 1.00 34.41 H new ATOM 0 HA VAL A 84 -5.447 -4.312 -2.543 1.00 25.42 H new ATOM 0 HB VAL A 84 -4.294 -2.929 -0.936 1.00 71.24 H new ATOM 0 HG11 VAL A 84 -1.912 -3.307 -1.555 1.00 4.35 H new ATOM 0 HG12 VAL A 84 -2.939 -4.713 -1.923 1.00 4.35 H new ATOM 0 HG13 VAL A 84 -2.415 -3.627 -3.231 1.00 4.35 H new ATOM 0 HG21 VAL A 84 -2.820 -1.027 -1.577 1.00 3.31 H new ATOM 0 HG22 VAL A 84 -3.394 -1.169 -3.256 1.00 3.31 H new ATOM 0 HG23 VAL A 84 -4.530 -0.719 -1.961 1.00 3.31 H new ATOM 1380 N GLU A 85 -7.135 -2.522 -1.572 1.00 65.32 N ATOM 1381 CA GLU A 85 -8.238 -1.615 -1.198 1.00 31.10 C ATOM 1382 C GLU A 85 -7.870 -0.874 0.094 1.00 30.43 C ATOM 1383 O GLU A 85 -7.830 -1.467 1.175 1.00 42.42 O ATOM 1384 CB GLU A 85 -9.562 -2.396 -1.021 1.00 3.44 C ATOM 1385 CG GLU A 85 -9.977 -3.229 -2.255 1.00 3.54 C ATOM 1386 CD GLU A 85 -11.406 -3.775 -2.167 1.00 43.44 C ATOM 1387 OE1 GLU A 85 -11.772 -4.334 -1.112 1.00 41.51 O ATOM 1388 OE2 GLU A 85 -12.173 -3.653 -3.148 1.00 63.12 O ATOM 0 H GLU A 85 -6.992 -3.288 -0.914 1.00 65.32 H new ATOM 0 HA GLU A 85 -8.388 -0.891 -1.999 1.00 31.10 H new ATOM 0 HB2 GLU A 85 -9.466 -3.062 -0.163 1.00 3.44 H new ATOM 0 HB3 GLU A 85 -10.359 -1.690 -0.789 1.00 3.44 H new ATOM 0 HG2 GLU A 85 -9.886 -2.611 -3.149 1.00 3.54 H new ATOM 0 HG3 GLU A 85 -9.284 -4.062 -2.372 1.00 3.54 H new ATOM 1395 N ILE A 86 -7.617 0.430 -0.038 1.00 63.13 N ATOM 1396 CA ILE A 86 -7.164 1.280 1.060 1.00 0.31 C ATOM 1397 C ILE A 86 -8.386 1.863 1.795 1.00 30.13 C ATOM 1398 O ILE A 86 -8.990 2.841 1.352 1.00 3.41 O ATOM 1399 CB ILE A 86 -6.212 2.422 0.537 1.00 44.43 C ATOM 1400 CG1 ILE A 86 -5.003 1.815 -0.243 1.00 12.52 C ATOM 1401 CG2 ILE A 86 -5.722 3.305 1.701 1.00 30.24 C ATOM 1402 CD1 ILE A 86 -4.103 2.828 -0.933 1.00 4.32 C ATOM 0 H ILE A 86 -7.723 0.929 -0.921 1.00 63.13 H new ATOM 0 HA ILE A 86 -6.587 0.678 1.761 1.00 0.31 H new ATOM 0 HB ILE A 86 -6.781 3.051 -0.148 1.00 44.43 H new ATOM 0 HG12 ILE A 86 -4.400 1.231 0.452 1.00 12.52 H new ATOM 0 HG13 ILE A 86 -5.386 1.123 -0.993 1.00 12.52 H new ATOM 0 HG21 ILE A 86 -5.067 4.086 1.315 1.00 30.24 H new ATOM 0 HG22 ILE A 86 -6.579 3.762 2.196 1.00 30.24 H new ATOM 0 HG23 ILE A 86 -5.174 2.692 2.417 1.00 30.24 H new ATOM 0 HD11 ILE A 86 -3.295 2.307 -1.446 1.00 4.32 H new ATOM 0 HD12 ILE A 86 -4.685 3.397 -1.658 1.00 4.32 H new ATOM 0 HD13 ILE A 86 -3.683 3.507 -0.191 1.00 4.32 H new ATOM 1414 N VAL A 87 -8.748 1.220 2.908 1.00 43.14 N ATOM 1415 CA VAL A 87 -9.910 1.595 3.722 1.00 44.24 C ATOM 1416 C VAL A 87 -9.552 2.791 4.615 1.00 53.45 C ATOM 1417 O VAL A 87 -8.465 2.845 5.186 1.00 70.41 O ATOM 1418 CB VAL A 87 -10.376 0.380 4.603 1.00 72.24 C ATOM 1419 CG1 VAL A 87 -11.602 0.734 5.470 1.00 3.05 C ATOM 1420 CG2 VAL A 87 -10.652 -0.859 3.725 1.00 60.22 C ATOM 0 H VAL A 87 -8.238 0.416 3.274 1.00 43.14 H new ATOM 0 HA VAL A 87 -10.730 1.876 3.061 1.00 44.24 H new ATOM 0 HB VAL A 87 -9.561 0.139 5.286 1.00 72.24 H new ATOM 0 HG11 VAL A 87 -11.891 -0.134 6.063 1.00 3.05 H new ATOM 0 HG12 VAL A 87 -11.351 1.561 6.135 1.00 3.05 H new ATOM 0 HG13 VAL A 87 -12.431 1.026 4.826 1.00 3.05 H new ATOM 0 HG21 VAL A 87 -10.973 -1.688 4.356 1.00 60.22 H new ATOM 0 HG22 VAL A 87 -11.436 -0.627 3.004 1.00 60.22 H new ATOM 0 HG23 VAL A 87 -9.742 -1.139 3.194 1.00 60.22 H new ATOM 1430 N LEU A 88 -10.455 3.771 4.706 1.00 43.40 N ATOM 1431 CA LEU A 88 -10.265 4.920 5.593 1.00 54.42 C ATOM 1432 C LEU A 88 -10.609 4.484 7.041 1.00 61.50 C ATOM 1433 O LEU A 88 -11.783 4.349 7.388 1.00 14.42 O ATOM 1434 CB LEU A 88 -11.141 6.120 5.100 1.00 4.11 C ATOM 1435 CG LEU A 88 -10.780 7.555 5.642 1.00 53.43 C ATOM 1436 CD1 LEU A 88 -11.181 7.767 7.126 1.00 40.22 C ATOM 1437 CD2 LEU A 88 -9.276 7.859 5.417 1.00 31.31 C ATOM 0 H LEU A 88 -11.326 3.791 4.175 1.00 43.40 H new ATOM 0 HA LEU A 88 -9.230 5.260 5.578 1.00 54.42 H new ATOM 0 HB2 LEU A 88 -11.090 6.149 4.012 1.00 4.11 H new ATOM 0 HB3 LEU A 88 -12.177 5.911 5.365 1.00 4.11 H new ATOM 0 HG LEU A 88 -11.373 8.266 5.067 1.00 53.43 H new ATOM 0 HD11 LEU A 88 -10.905 8.775 7.437 1.00 40.22 H new ATOM 0 HD12 LEU A 88 -12.258 7.636 7.234 1.00 40.22 H new ATOM 0 HD13 LEU A 88 -10.662 7.040 7.751 1.00 40.22 H new ATOM 0 HD21 LEU A 88 -9.045 8.854 5.797 1.00 31.31 H new ATOM 0 HD22 LEU A 88 -8.673 7.120 5.944 1.00 31.31 H new ATOM 0 HD23 LEU A 88 -9.052 7.817 4.351 1.00 31.31 H new ATOM 1449 N GLU A 89 -9.569 4.188 7.842 1.00 14.12 N ATOM 1450 CA GLU A 89 -9.692 3.912 9.288 1.00 42.40 C ATOM 1451 C GLU A 89 -8.564 4.623 10.039 1.00 53.24 C ATOM 1452 O GLU A 89 -7.407 4.612 9.598 1.00 74.34 O ATOM 1453 CB GLU A 89 -9.654 2.384 9.600 1.00 35.33 C ATOM 1454 CG GLU A 89 -10.963 1.632 9.290 1.00 24.24 C ATOM 1455 CD GLU A 89 -10.958 0.159 9.728 1.00 32.40 C ATOM 1456 OE1 GLU A 89 -10.513 -0.136 10.862 1.00 64.41 O ATOM 1457 OE2 GLU A 89 -11.428 -0.707 8.959 1.00 3.32 O ATOM 0 H GLU A 89 -8.609 4.133 7.501 1.00 14.12 H new ATOM 0 HA GLU A 89 -10.660 4.288 9.618 1.00 42.40 H new ATOM 0 HB2 GLU A 89 -8.845 1.930 9.027 1.00 35.33 H new ATOM 0 HB3 GLU A 89 -9.413 2.248 10.654 1.00 35.33 H new ATOM 0 HG2 GLU A 89 -11.789 2.144 9.783 1.00 24.24 H new ATOM 0 HG3 GLU A 89 -11.152 1.681 8.218 1.00 24.24 H new ATOM 1464 N HIS A 90 -8.933 5.265 11.158 1.00 62.40 N ATOM 1465 CA HIS A 90 -7.979 5.831 12.130 1.00 65.05 C ATOM 1466 C HIS A 90 -7.470 4.717 13.063 1.00 33.34 C ATOM 1467 O HIS A 90 -6.409 4.838 13.689 1.00 21.02 O ATOM 1468 CB HIS A 90 -8.660 6.969 12.942 1.00 14.44 C ATOM 1469 CG HIS A 90 -7.722 7.780 13.807 1.00 55.42 C ATOM 1470 ND1 HIS A 90 -7.735 7.753 15.187 1.00 20.33 N ATOM 1471 CD2 HIS A 90 -6.759 8.668 13.470 1.00 52.42 C ATOM 1472 CE1 HIS A 90 -6.823 8.580 15.651 1.00 23.21 C ATOM 1473 NE2 HIS A 90 -6.216 9.151 14.633 1.00 2.53 N ATOM 0 H HIS A 90 -9.909 5.408 11.418 1.00 62.40 H new ATOM 0 HA HIS A 90 -7.126 6.255 11.600 1.00 65.05 H new ATOM 0 HB2 HIS A 90 -9.163 7.641 12.247 1.00 14.44 H new ATOM 0 HB3 HIS A 90 -9.431 6.532 13.577 1.00 14.44 H new ATOM 0 HD2 HIS A 90 -6.470 8.946 12.467 1.00 52.42 H new ATOM 0 HE1 HIS A 90 -6.608 8.760 16.694 1.00 23.21 H new ATOM 0 HE2 HIS A 90 -5.466 9.839 14.698 1.00 2.53 H new ATOM 1482 N HIS A 91 -8.275 3.645 13.141 1.00 51.44 N ATOM 1483 CA HIS A 91 -8.009 2.445 13.936 1.00 21.12 C ATOM 1484 C HIS A 91 -6.734 1.721 13.436 1.00 32.41 C ATOM 1485 O HIS A 91 -6.669 1.386 12.237 1.00 45.04 O ATOM 1486 CB HIS A 91 -9.235 1.505 13.860 1.00 72.55 C ATOM 1487 CG HIS A 91 -9.076 0.220 14.628 1.00 35.50 C ATOM 1488 ND1 HIS A 91 -9.052 -1.020 14.026 1.00 21.45 N ATOM 1489 CD2 HIS A 91 -8.929 -0.012 15.954 1.00 43.42 C ATOM 1490 CE1 HIS A 91 -8.894 -1.948 14.941 1.00 64.34 C ATOM 1491 NE2 HIS A 91 -8.817 -1.369 16.118 1.00 23.04 N ATOM 0 H HIS A 91 -9.158 3.593 12.633 1.00 51.44 H new ATOM 0 HA HIS A 91 -7.838 2.734 14.973 1.00 21.12 H new ATOM 0 HB2 HIS A 91 -10.109 2.035 14.238 1.00 72.55 H new ATOM 0 HB3 HIS A 91 -9.433 1.268 12.815 1.00 72.55 H new ATOM 0 HD2 HIS A 91 -8.905 0.732 16.736 1.00 43.42 H new ATOM 0 HE1 HIS A 91 -8.837 -3.011 14.757 1.00 64.34 H new ATOM 0 HE2 HIS A 91 -8.694 -1.850 17.009 1.00 23.04 H new TER 1500 HIS A 91