USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1061 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 78 THR OG1 : rot 112:sc= 0.699 USER MOD Set 1.2: A 79 MET CE :methyl -124:sc= 0 (180deg=-0.286) USER MOD Set 1.3: A 89 HIS : no HD1:sc= -1.62 K(o=-0.92,f=-6.2!) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.45 K(o=-2.6,f=-5.5!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.16 F(o=-6.7!,f=-2.6) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 69:sc= 0.314 USER MOD Single : A 25 SER OG : rot -34:sc= 0.0501 USER MOD Single : A 28 HIS : no HE2:sc= 0.156 K(o=0.16,f=-1.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.125 K(o=0.13,f=-3!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0.706 USER MOD Single : A 87 THR OG1 : rot 137:sc= 0.0017 USER MOD Single : A 88 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.12) USER MOD Single : A 102 HIS : no HE2:sc= -0.29 K(o=-0.29,f=-1.6!) USER MOD Single : A 103 CYS SG : rot -76:sc= -3.24! USER MOD Single : A 104 THR OG1 : rot -130:sc= 0.0858 USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00644 USER MOD Single : A 110 MET CE :methyl 136:sc= -0.165 (180deg=-1.09) USER MOD Single : A 113 CYS SG : rot 81:sc= -0.996 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0179 K(o=-0.018,f=-0.92) USER MOD Single : A 141 TYR OH : rot 30:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.132 14.033 8.895 1.00 3.34 N ATOM 21 CA ALA A 2 -1.912 13.664 8.131 1.00 72.44 C ATOM 22 C ALA A 2 -1.620 12.136 8.221 1.00 24.33 C ATOM 23 O ALA A 2 -0.585 11.663 7.735 1.00 3.24 O ATOM 24 CB ALA A 2 -0.717 14.506 8.627 1.00 73.43 C ATOM 0 HA ALA A 2 -2.078 13.885 7.077 1.00 72.44 H new ATOM 0 HB1 ALA A 2 0.177 14.234 8.066 1.00 73.43 H new ATOM 0 HB2 ALA A 2 -0.931 15.564 8.479 1.00 73.43 H new ATOM 0 HB3 ALA A 2 -0.552 14.314 9.687 1.00 73.43 H new ATOM 30 N THR A 3 -2.556 11.375 8.834 1.00 52.51 N ATOM 31 CA THR A 3 -2.490 9.897 8.933 1.00 22.44 C ATOM 32 C THR A 3 -3.645 9.274 8.114 1.00 73.12 C ATOM 33 O THR A 3 -4.823 9.424 8.456 1.00 75.45 O ATOM 34 CB THR A 3 -2.558 9.392 10.421 1.00 61.22 C ATOM 35 OG1 THR A 3 -1.504 9.993 11.190 1.00 74.43 O ATOM 36 CG2 THR A 3 -2.444 7.851 10.527 1.00 73.14 C ATOM 0 H THR A 3 -3.385 11.772 9.277 1.00 52.51 H new ATOM 0 HA THR A 3 -1.528 9.582 8.529 1.00 22.44 H new ATOM 0 HB THR A 3 -3.532 9.685 10.813 1.00 61.22 H new ATOM 0 HG1 THR A 3 -1.553 9.676 12.116 1.00 74.43 H new ATOM 0 HG21 THR A 3 -2.496 7.553 11.574 1.00 73.14 H new ATOM 0 HG22 THR A 3 -3.262 7.387 9.977 1.00 73.14 H new ATOM 0 HG23 THR A 3 -1.493 7.527 10.105 1.00 73.14 H new ATOM 44 N LEU A 4 -3.282 8.612 7.011 1.00 75.33 N ATOM 45 CA LEU A 4 -4.231 7.962 6.081 1.00 23.12 C ATOM 46 C LEU A 4 -4.329 6.468 6.416 1.00 62.22 C ATOM 47 O LEU A 4 -3.314 5.841 6.691 1.00 13.14 O ATOM 48 CB LEU A 4 -3.758 8.124 4.598 1.00 11.20 C ATOM 49 CG LEU A 4 -3.841 9.552 3.958 1.00 35.12 C ATOM 50 CD1 LEU A 4 -3.046 10.623 4.739 1.00 52.31 C ATOM 51 CD2 LEU A 4 -3.378 9.509 2.486 1.00 25.15 C ATOM 0 H LEU A 4 -2.308 8.507 6.729 1.00 75.33 H new ATOM 0 HA LEU A 4 -5.205 8.439 6.192 1.00 23.12 H new ATOM 0 HB2 LEU A 4 -2.722 7.789 4.538 1.00 11.20 H new ATOM 0 HB3 LEU A 4 -4.348 7.446 3.982 1.00 11.20 H new ATOM 0 HG LEU A 4 -4.889 9.849 4.006 1.00 35.12 H new ATOM 0 HD11 LEU A 4 -3.147 11.587 4.240 1.00 52.31 H new ATOM 0 HD12 LEU A 4 -3.436 10.697 5.754 1.00 52.31 H new ATOM 0 HD13 LEU A 4 -1.994 10.341 4.774 1.00 52.31 H new ATOM 0 HD21 LEU A 4 -3.441 10.508 2.055 1.00 25.15 H new ATOM 0 HD22 LEU A 4 -2.347 9.158 2.439 1.00 25.15 H new ATOM 0 HD23 LEU A 4 -4.018 8.830 1.923 1.00 25.15 H new ATOM 63 N ARG A 5 -5.545 5.910 6.412 1.00 54.14 N ATOM 64 CA ARG A 5 -5.746 4.444 6.470 1.00 71.21 C ATOM 65 C ARG A 5 -6.940 4.034 5.583 1.00 73.25 C ATOM 66 O ARG A 5 -8.015 4.628 5.659 1.00 64.14 O ATOM 67 CB ARG A 5 -5.959 3.950 7.929 1.00 52.54 C ATOM 68 CG ARG A 5 -6.053 2.409 8.061 1.00 20.13 C ATOM 69 CD ARG A 5 -6.216 1.931 9.516 1.00 74.22 C ATOM 70 NE ARG A 5 -7.507 2.329 10.113 1.00 24.35 N ATOM 71 CZ ARG A 5 -8.027 1.818 11.215 1.00 73.23 C ATOM 72 NH1 ARG A 5 -7.427 0.880 11.881 1.00 4.43 N ATOM 73 NH2 ARG A 5 -9.160 2.250 11.643 1.00 53.24 N ATOM 0 H ARG A 5 -6.411 6.447 6.369 1.00 54.14 H new ATOM 0 HA ARG A 5 -4.841 3.969 6.091 1.00 71.21 H new ATOM 0 HB2 ARG A 5 -5.136 4.309 8.548 1.00 52.54 H new ATOM 0 HB3 ARG A 5 -6.872 4.395 8.324 1.00 52.54 H new ATOM 0 HG2 ARG A 5 -6.898 2.052 7.472 1.00 20.13 H new ATOM 0 HG3 ARG A 5 -5.155 1.959 7.637 1.00 20.13 H new ATOM 0 HD2 ARG A 5 -6.127 0.845 9.548 1.00 74.22 H new ATOM 0 HD3 ARG A 5 -5.403 2.336 10.119 1.00 74.22 H new ATOM 0 HE ARG A 5 -8.040 3.057 9.636 1.00 24.35 H new ATOM 0 HH11 ARG A 5 -6.530 0.518 11.557 1.00 4.43 H new ATOM 0 HH12 ARG A 5 -7.852 0.504 12.729 1.00 4.43 H new ATOM 0 HH21 ARG A 5 -9.652 2.983 11.132 1.00 53.24 H new ATOM 0 HH22 ARG A 5 -9.567 1.859 12.493 1.00 53.24 H new ATOM 87 N ARG A 6 -6.725 3.004 4.754 1.00 51.51 N ATOM 88 CA ARG A 6 -7.737 2.443 3.834 1.00 55.55 C ATOM 89 C ARG A 6 -7.880 0.930 4.086 1.00 24.34 C ATOM 90 O ARG A 6 -6.976 0.303 4.632 1.00 35.15 O ATOM 91 CB ARG A 6 -7.338 2.705 2.352 1.00 42.25 C ATOM 92 CG ARG A 6 -7.372 4.186 1.885 1.00 65.24 C ATOM 93 CD ARG A 6 -8.801 4.792 1.825 1.00 43.22 C ATOM 94 NE ARG A 6 -9.361 5.060 3.166 1.00 4.04 N ATOM 95 CZ ARG A 6 -10.628 4.959 3.520 1.00 13.54 C ATOM 96 NH1 ARG A 6 -11.551 4.630 2.676 1.00 41.12 N ATOM 97 NH2 ARG A 6 -10.958 5.176 4.745 1.00 14.14 N ATOM 0 H ARG A 6 -5.827 2.524 4.699 1.00 51.51 H new ATOM 0 HA ARG A 6 -8.693 2.933 4.021 1.00 55.55 H new ATOM 0 HB2 ARG A 6 -6.331 2.319 2.195 1.00 42.25 H new ATOM 0 HB3 ARG A 6 -8.004 2.128 1.711 1.00 42.25 H new ATOM 0 HG2 ARG A 6 -6.762 4.785 2.561 1.00 65.24 H new ATOM 0 HG3 ARG A 6 -6.916 4.256 0.898 1.00 65.24 H new ATOM 0 HD2 ARG A 6 -8.774 5.720 1.254 1.00 43.22 H new ATOM 0 HD3 ARG A 6 -9.460 4.108 1.290 1.00 43.22 H new ATOM 0 HE ARG A 6 -8.703 5.352 3.889 1.00 4.04 H new ATOM 0 HH11 ARG A 6 -11.309 4.440 1.704 1.00 41.12 H new ATOM 0 HH12 ARG A 6 -12.521 4.561 2.983 1.00 41.12 H new ATOM 0 HH21 ARG A 6 -10.243 5.423 5.430 1.00 14.14 H new ATOM 0 HH22 ARG A 6 -11.934 5.101 5.031 1.00 14.14 H new ATOM 111 N SER A 7 -9.030 0.364 3.701 1.00 62.31 N ATOM 112 CA SER A 7 -9.309 -1.084 3.835 1.00 75.22 C ATOM 113 C SER A 7 -10.273 -1.559 2.726 1.00 24.21 C ATOM 114 O SER A 7 -11.086 -0.773 2.227 1.00 71.00 O ATOM 115 CB SER A 7 -9.918 -1.372 5.227 1.00 42.41 C ATOM 116 OG SER A 7 -11.171 -0.724 5.398 1.00 54.21 O ATOM 0 H SER A 7 -9.799 0.891 3.287 1.00 62.31 H new ATOM 0 HA SER A 7 -8.372 -1.631 3.732 1.00 75.22 H new ATOM 0 HB2 SER A 7 -10.044 -2.447 5.353 1.00 42.41 H new ATOM 0 HB3 SER A 7 -9.228 -1.039 6.002 1.00 42.41 H new ATOM 0 HG SER A 7 -11.527 -0.930 6.288 1.00 54.21 H new ATOM 122 N VAL A 8 -10.179 -2.848 2.342 1.00 14.32 N ATOM 123 CA VAL A 8 -11.040 -3.436 1.285 1.00 30.12 C ATOM 124 C VAL A 8 -11.312 -4.933 1.561 1.00 64.04 C ATOM 125 O VAL A 8 -10.443 -5.628 2.065 1.00 11.43 O ATOM 126 CB VAL A 8 -10.372 -3.275 -0.135 1.00 21.13 C ATOM 127 CG1 VAL A 8 -9.115 -4.184 -0.291 1.00 64.34 C ATOM 128 CG2 VAL A 8 -11.398 -3.517 -1.266 1.00 55.44 C ATOM 0 H VAL A 8 -9.514 -3.507 2.747 1.00 14.32 H new ATOM 0 HA VAL A 8 -11.988 -2.898 1.296 1.00 30.12 H new ATOM 0 HB VAL A 8 -10.028 -2.244 -0.219 1.00 21.13 H new ATOM 0 HG11 VAL A 8 -8.685 -4.043 -1.283 1.00 64.34 H new ATOM 0 HG12 VAL A 8 -8.377 -3.918 0.466 1.00 64.34 H new ATOM 0 HG13 VAL A 8 -9.403 -5.228 -0.165 1.00 64.34 H new ATOM 0 HG21 VAL A 8 -10.908 -3.399 -2.233 1.00 55.44 H new ATOM 0 HG22 VAL A 8 -11.799 -4.527 -1.183 1.00 55.44 H new ATOM 0 HG23 VAL A 8 -12.211 -2.796 -1.181 1.00 55.44 H new ATOM 138 N GLU A 9 -12.514 -5.424 1.219 1.00 42.50 N ATOM 139 CA GLU A 9 -12.877 -6.851 1.380 1.00 32.24 C ATOM 140 C GLU A 9 -12.574 -7.651 0.086 1.00 31.53 C ATOM 141 O GLU A 9 -13.255 -7.493 -0.931 1.00 12.21 O ATOM 142 CB GLU A 9 -14.364 -6.972 1.787 1.00 65.23 C ATOM 143 CG GLU A 9 -14.648 -6.477 3.222 1.00 12.12 C ATOM 144 CD GLU A 9 -16.124 -6.583 3.631 1.00 43.44 C ATOM 145 OE1 GLU A 9 -16.669 -7.709 3.620 1.00 44.31 O ATOM 146 OE2 GLU A 9 -16.750 -5.550 3.959 1.00 54.42 O ATOM 0 H GLU A 9 -13.261 -4.852 0.825 1.00 42.50 H new ATOM 0 HA GLU A 9 -12.268 -7.283 2.174 1.00 32.24 H new ATOM 0 HB2 GLU A 9 -14.973 -6.401 1.086 1.00 65.23 H new ATOM 0 HB3 GLU A 9 -14.673 -8.014 1.702 1.00 65.23 H new ATOM 0 HG2 GLU A 9 -14.044 -7.054 3.922 1.00 12.12 H new ATOM 0 HG3 GLU A 9 -14.330 -5.438 3.308 1.00 12.12 H new ATOM 153 N VAL A 10 -11.545 -8.512 0.162 1.00 73.54 N ATOM 154 CA VAL A 10 -11.024 -9.299 -0.976 1.00 73.44 C ATOM 155 C VAL A 10 -11.642 -10.712 -1.023 1.00 42.20 C ATOM 156 O VAL A 10 -11.793 -11.366 0.014 1.00 42.00 O ATOM 157 CB VAL A 10 -9.461 -9.423 -0.878 1.00 33.32 C ATOM 158 CG1 VAL A 10 -8.864 -10.216 -2.071 1.00 12.34 C ATOM 159 CG2 VAL A 10 -8.813 -8.025 -0.751 1.00 71.34 C ATOM 0 H VAL A 10 -11.040 -8.686 1.031 1.00 73.54 H new ATOM 0 HA VAL A 10 -11.300 -8.772 -1.889 1.00 73.44 H new ATOM 0 HB VAL A 10 -9.231 -9.991 0.023 1.00 33.32 H new ATOM 0 HG11 VAL A 10 -7.781 -10.277 -1.962 1.00 12.34 H new ATOM 0 HG12 VAL A 10 -9.284 -11.222 -2.086 1.00 12.34 H new ATOM 0 HG13 VAL A 10 -9.107 -9.707 -3.004 1.00 12.34 H new ATOM 0 HG21 VAL A 10 -7.730 -8.131 -0.684 1.00 71.34 H new ATOM 0 HG22 VAL A 10 -9.066 -7.426 -1.626 1.00 71.34 H new ATOM 0 HG23 VAL A 10 -9.185 -7.532 0.147 1.00 71.34 H new ATOM 169 N ALA A 11 -11.978 -11.179 -2.241 1.00 45.03 N ATOM 170 CA ALA A 11 -12.488 -12.548 -2.496 1.00 64.35 C ATOM 171 C ALA A 11 -11.378 -13.659 -2.467 1.00 34.02 C ATOM 172 O ALA A 11 -11.495 -14.674 -3.165 1.00 1.23 O ATOM 173 CB ALA A 11 -13.232 -12.516 -3.850 1.00 34.31 C ATOM 0 H ALA A 11 -11.904 -10.614 -3.087 1.00 45.03 H new ATOM 0 HA ALA A 11 -13.161 -12.828 -1.685 1.00 64.35 H new ATOM 0 HB1 ALA A 11 -13.623 -13.508 -4.074 1.00 34.31 H new ATOM 0 HB2 ALA A 11 -14.056 -11.805 -3.796 1.00 34.31 H new ATOM 0 HB3 ALA A 11 -12.542 -12.212 -4.637 1.00 34.31 H new ATOM 179 N ALA A 12 -10.341 -13.493 -1.613 1.00 63.25 N ATOM 180 CA ALA A 12 -9.237 -14.479 -1.457 1.00 54.21 C ATOM 181 C ALA A 12 -8.705 -14.506 0.007 1.00 52.33 C ATOM 182 O ALA A 12 -8.766 -13.481 0.701 1.00 34.21 O ATOM 183 CB ALA A 12 -8.092 -14.166 -2.436 1.00 54.15 C ATOM 0 H ALA A 12 -10.243 -12.675 -1.012 1.00 63.25 H new ATOM 0 HA ALA A 12 -9.637 -15.466 -1.688 1.00 54.21 H new ATOM 0 HB1 ALA A 12 -7.294 -14.897 -2.308 1.00 54.15 H new ATOM 0 HB2 ALA A 12 -8.465 -14.212 -3.459 1.00 54.15 H new ATOM 0 HB3 ALA A 12 -7.705 -13.167 -2.236 1.00 54.15 H new ATOM 189 N PRO A 13 -8.202 -15.694 0.503 1.00 71.41 N ATOM 190 CA PRO A 13 -7.549 -15.819 1.848 1.00 73.41 C ATOM 191 C PRO A 13 -6.323 -14.874 2.054 1.00 30.50 C ATOM 192 O PRO A 13 -5.609 -14.548 1.100 1.00 44.43 O ATOM 193 CB PRO A 13 -7.115 -17.318 1.906 1.00 54.22 C ATOM 194 CG PRO A 13 -7.180 -17.809 0.491 1.00 54.24 C ATOM 195 CD PRO A 13 -8.274 -17.017 -0.180 1.00 64.21 C ATOM 0 HA PRO A 13 -8.234 -15.523 2.642 1.00 73.41 H new ATOM 0 HB2 PRO A 13 -6.108 -17.420 2.311 1.00 54.22 H new ATOM 0 HB3 PRO A 13 -7.778 -17.894 2.552 1.00 54.22 H new ATOM 0 HG2 PRO A 13 -6.226 -17.662 -0.016 1.00 54.24 H new ATOM 0 HG3 PRO A 13 -7.397 -18.877 0.459 1.00 54.24 H new ATOM 0 HD2 PRO A 13 -8.106 -16.926 -1.253 1.00 64.21 H new ATOM 0 HD3 PRO A 13 -9.249 -17.486 -0.049 1.00 64.21 H new ATOM 203 N ALA A 14 -6.115 -14.446 3.323 1.00 35.05 N ATOM 204 CA ALA A 14 -5.024 -13.521 3.745 1.00 2.35 C ATOM 205 C ALA A 14 -3.606 -13.923 3.266 1.00 71.30 C ATOM 206 O ALA A 14 -2.830 -13.063 2.856 1.00 51.11 O ATOM 207 CB ALA A 14 -5.043 -13.372 5.282 1.00 4.42 C ATOM 0 H ALA A 14 -6.709 -14.737 4.099 1.00 35.05 H new ATOM 0 HA ALA A 14 -5.232 -12.570 3.255 1.00 2.35 H new ATOM 0 HB1 ALA A 14 -4.246 -12.696 5.592 1.00 4.42 H new ATOM 0 HB2 ALA A 14 -6.005 -12.967 5.596 1.00 4.42 H new ATOM 0 HB3 ALA A 14 -4.892 -14.348 5.744 1.00 4.42 H new ATOM 213 N ALA A 15 -3.271 -15.220 3.368 1.00 50.12 N ATOM 214 CA ALA A 15 -1.947 -15.756 2.948 1.00 62.53 C ATOM 215 C ALA A 15 -1.716 -15.609 1.427 1.00 42.42 C ATOM 216 O ALA A 15 -0.645 -15.163 0.985 1.00 11.12 O ATOM 217 CB ALA A 15 -1.812 -17.225 3.378 1.00 42.21 C ATOM 0 H ALA A 15 -3.901 -15.931 3.741 1.00 50.12 H new ATOM 0 HA ALA A 15 -1.178 -15.165 3.446 1.00 62.53 H new ATOM 0 HB1 ALA A 15 -0.840 -17.608 3.066 1.00 42.21 H new ATOM 0 HB2 ALA A 15 -1.899 -17.296 4.462 1.00 42.21 H new ATOM 0 HB3 ALA A 15 -2.601 -17.815 2.911 1.00 42.21 H new ATOM 223 N ASP A 16 -2.730 -16.023 0.650 1.00 24.42 N ATOM 224 CA ASP A 16 -2.759 -15.897 -0.829 1.00 3.11 C ATOM 225 C ASP A 16 -2.476 -14.437 -1.286 1.00 53.14 C ATOM 226 O ASP A 16 -1.650 -14.187 -2.176 1.00 12.42 O ATOM 227 CB ASP A 16 -4.161 -16.360 -1.308 1.00 73.31 C ATOM 228 CG ASP A 16 -4.260 -16.595 -2.813 1.00 34.35 C ATOM 229 OD1 ASP A 16 -4.573 -15.652 -3.559 1.00 53.15 O ATOM 230 OD2 ASP A 16 -4.046 -17.743 -3.257 1.00 65.20 O ATOM 0 H ASP A 16 -3.568 -16.462 1.030 1.00 24.42 H new ATOM 0 HA ASP A 16 -1.977 -16.516 -1.268 1.00 3.11 H new ATOM 0 HB2 ASP A 16 -4.424 -17.282 -0.789 1.00 73.31 H new ATOM 0 HB3 ASP A 16 -4.898 -15.610 -1.019 1.00 73.31 H new ATOM 235 N VAL A 17 -3.163 -13.492 -0.633 1.00 70.13 N ATOM 236 CA VAL A 17 -3.043 -12.046 -0.907 1.00 42.40 C ATOM 237 C VAL A 17 -1.697 -11.470 -0.383 1.00 61.43 C ATOM 238 O VAL A 17 -1.128 -10.565 -0.992 1.00 72.13 O ATOM 239 CB VAL A 17 -4.259 -11.271 -0.284 1.00 42.34 C ATOM 240 CG1 VAL A 17 -4.129 -9.742 -0.485 1.00 45.14 C ATOM 241 CG2 VAL A 17 -5.598 -11.792 -0.870 1.00 44.14 C ATOM 0 H VAL A 17 -3.827 -13.708 0.110 1.00 70.13 H new ATOM 0 HA VAL A 17 -3.055 -11.910 -1.988 1.00 42.40 H new ATOM 0 HB VAL A 17 -4.253 -11.460 0.790 1.00 42.34 H new ATOM 0 HG11 VAL A 17 -4.989 -9.242 -0.040 1.00 45.14 H new ATOM 0 HG12 VAL A 17 -3.216 -9.388 -0.006 1.00 45.14 H new ATOM 0 HG13 VAL A 17 -4.090 -9.517 -1.551 1.00 45.14 H new ATOM 0 HG21 VAL A 17 -6.428 -11.242 -0.426 1.00 44.14 H new ATOM 0 HG22 VAL A 17 -5.603 -11.647 -1.950 1.00 44.14 H new ATOM 0 HG23 VAL A 17 -5.705 -12.853 -0.646 1.00 44.14 H new ATOM 251 N TRP A 18 -1.203 -11.992 0.756 1.00 53.43 N ATOM 252 CA TRP A 18 0.096 -11.561 1.345 1.00 11.21 C ATOM 253 C TRP A 18 1.291 -11.924 0.421 1.00 44.53 C ATOM 254 O TRP A 18 2.326 -11.260 0.441 1.00 23.54 O ATOM 255 CB TRP A 18 0.288 -12.158 2.768 1.00 4.24 C ATOM 256 CG TRP A 18 1.580 -11.738 3.448 1.00 0.34 C ATOM 257 CD1 TRP A 18 2.612 -12.552 3.833 1.00 3.31 C ATOM 258 CD2 TRP A 18 1.991 -10.398 3.784 1.00 71.44 C ATOM 259 NE1 TRP A 18 3.621 -11.807 4.384 1.00 3.11 N ATOM 260 CE2 TRP A 18 3.264 -10.487 4.374 1.00 3.22 C ATOM 261 CE3 TRP A 18 1.403 -9.136 3.647 1.00 70.15 C ATOM 262 CZ2 TRP A 18 3.965 -9.366 4.819 1.00 72.01 C ATOM 263 CZ3 TRP A 18 2.094 -8.023 4.092 1.00 2.12 C ATOM 264 CH2 TRP A 18 3.364 -8.145 4.674 1.00 43.52 C ATOM 0 H TRP A 18 -1.680 -12.716 1.294 1.00 53.43 H new ATOM 0 HA TRP A 18 0.071 -10.475 1.435 1.00 11.21 H new ATOM 0 HB2 TRP A 18 -0.553 -11.858 3.393 1.00 4.24 H new ATOM 0 HB3 TRP A 18 0.262 -13.246 2.700 1.00 4.24 H new ATOM 0 HD1 TRP A 18 2.628 -13.626 3.719 1.00 3.31 H new ATOM 0 HE1 TRP A 18 4.500 -12.178 4.745 1.00 3.11 H new ATOM 0 HE3 TRP A 18 0.425 -9.032 3.201 1.00 70.15 H new ATOM 0 HZ2 TRP A 18 4.946 -9.458 5.262 1.00 72.01 H new ATOM 0 HZ3 TRP A 18 1.648 -7.045 3.990 1.00 2.12 H new ATOM 0 HH2 TRP A 18 3.878 -7.258 5.014 1.00 43.52 H new ATOM 275 N THR A 19 1.137 -12.993 -0.369 1.00 44.12 N ATOM 276 CA THR A 19 2.112 -13.372 -1.421 1.00 52.35 C ATOM 277 C THR A 19 2.106 -12.347 -2.592 1.00 22.50 C ATOM 278 O THR A 19 3.135 -12.097 -3.230 1.00 23.21 O ATOM 279 CB THR A 19 1.791 -14.814 -1.944 1.00 13.44 C ATOM 280 OG1 THR A 19 1.762 -15.727 -0.832 1.00 60.51 O ATOM 281 CG2 THR A 19 2.817 -15.325 -2.972 1.00 74.14 C ATOM 0 H THR A 19 0.338 -13.624 -0.304 1.00 44.12 H new ATOM 0 HA THR A 19 3.111 -13.365 -0.986 1.00 52.35 H new ATOM 0 HB THR A 19 0.823 -14.761 -2.443 1.00 13.44 H new ATOM 0 HG1 THR A 19 0.979 -15.538 -0.274 1.00 60.51 H new ATOM 0 HG21 THR A 19 2.539 -16.328 -3.296 1.00 74.14 H new ATOM 0 HG22 THR A 19 2.833 -14.657 -3.833 1.00 74.14 H new ATOM 0 HG23 THR A 19 3.807 -15.352 -2.516 1.00 74.14 H new ATOM 289 N LEU A 20 0.932 -11.738 -2.836 1.00 22.34 N ATOM 290 CA LEU A 20 0.726 -10.733 -3.909 1.00 61.32 C ATOM 291 C LEU A 20 1.290 -9.331 -3.509 1.00 60.00 C ATOM 292 O LEU A 20 2.020 -8.698 -4.284 1.00 45.24 O ATOM 293 CB LEU A 20 -0.800 -10.655 -4.219 1.00 62.13 C ATOM 294 CG LEU A 20 -1.256 -9.636 -5.308 1.00 62.30 C ATOM 295 CD1 LEU A 20 -0.702 -9.986 -6.701 1.00 4.43 C ATOM 296 CD2 LEU A 20 -2.793 -9.510 -5.348 1.00 0.24 C ATOM 0 H LEU A 20 0.089 -11.927 -2.293 1.00 22.34 H new ATOM 0 HA LEU A 20 1.273 -11.041 -4.800 1.00 61.32 H new ATOM 0 HB2 LEU A 20 -1.134 -11.647 -4.524 1.00 62.13 H new ATOM 0 HB3 LEU A 20 -1.321 -10.414 -3.292 1.00 62.13 H new ATOM 0 HG LEU A 20 -0.840 -8.669 -5.027 1.00 62.30 H new ATOM 0 HD11 LEU A 20 -1.047 -9.248 -7.426 1.00 4.43 H new ATOM 0 HD12 LEU A 20 0.388 -9.983 -6.670 1.00 4.43 H new ATOM 0 HD13 LEU A 20 -1.054 -10.975 -6.995 1.00 4.43 H new ATOM 0 HD21 LEU A 20 -3.079 -8.793 -6.117 1.00 0.24 H new ATOM 0 HD22 LEU A 20 -3.232 -10.481 -5.576 1.00 0.24 H new ATOM 0 HD23 LEU A 20 -3.155 -9.167 -4.379 1.00 0.24 H new ATOM 308 N VAL A 21 0.933 -8.863 -2.292 1.00 60.44 N ATOM 309 CA VAL A 21 1.331 -7.520 -1.774 1.00 1.33 C ATOM 310 C VAL A 21 2.723 -7.515 -1.073 1.00 2.22 C ATOM 311 O VAL A 21 3.451 -6.521 -1.154 1.00 51.41 O ATOM 312 CB VAL A 21 0.247 -6.933 -0.782 1.00 62.41 C ATOM 313 CG1 VAL A 21 -1.107 -6.720 -1.487 1.00 53.05 C ATOM 314 CG2 VAL A 21 0.071 -7.813 0.483 1.00 51.42 C ATOM 0 H VAL A 21 0.363 -9.398 -1.637 1.00 60.44 H new ATOM 0 HA VAL A 21 1.402 -6.885 -2.657 1.00 1.33 H new ATOM 0 HB VAL A 21 0.619 -5.962 -0.456 1.00 62.41 H new ATOM 0 HG11 VAL A 21 -1.828 -6.316 -0.776 1.00 53.05 H new ATOM 0 HG12 VAL A 21 -0.981 -6.020 -2.313 1.00 53.05 H new ATOM 0 HG13 VAL A 21 -1.471 -7.673 -1.871 1.00 53.05 H new ATOM 0 HG21 VAL A 21 -0.683 -7.369 1.133 1.00 51.42 H new ATOM 0 HG22 VAL A 21 -0.247 -8.813 0.189 1.00 51.42 H new ATOM 0 HG23 VAL A 21 1.019 -7.876 1.017 1.00 51.42 H new ATOM 324 N GLY A 22 3.065 -8.628 -0.387 1.00 15.41 N ATOM 325 CA GLY A 22 4.306 -8.733 0.420 1.00 12.30 C ATOM 326 C GLY A 22 5.601 -8.738 -0.408 1.00 11.31 C ATOM 327 O GLY A 22 6.681 -8.410 0.104 1.00 30.10 O ATOM 0 H GLY A 22 2.495 -9.474 -0.375 1.00 15.41 H new ATOM 0 HA2 GLY A 22 4.341 -7.900 1.122 1.00 12.30 H new ATOM 0 HA3 GLY A 22 4.264 -9.647 1.012 1.00 12.30 H new ATOM 331 N ASP A 23 5.493 -9.163 -1.680 1.00 74.31 N ATOM 332 CA ASP A 23 6.571 -9.019 -2.672 1.00 54.15 C ATOM 333 C ASP A 23 6.419 -7.635 -3.349 1.00 23.43 C ATOM 334 O ASP A 23 5.451 -7.391 -4.080 1.00 63.53 O ATOM 335 CB ASP A 23 6.499 -10.175 -3.711 1.00 13.30 C ATOM 336 CG ASP A 23 7.716 -10.219 -4.663 1.00 72.24 C ATOM 337 OD1 ASP A 23 7.814 -9.370 -5.569 1.00 71.05 O ATOM 338 OD2 ASP A 23 8.578 -11.112 -4.512 1.00 21.44 O ATOM 0 H ASP A 23 4.656 -9.615 -2.048 1.00 74.31 H new ATOM 0 HA ASP A 23 7.548 -9.078 -2.192 1.00 54.15 H new ATOM 0 HB2 ASP A 23 6.426 -11.125 -3.182 1.00 13.30 H new ATOM 0 HB3 ASP A 23 5.589 -10.068 -4.301 1.00 13.30 H new ATOM 343 N PHE A 24 7.367 -6.724 -3.079 1.00 13.01 N ATOM 344 CA PHE A 24 7.320 -5.331 -3.594 1.00 72.02 C ATOM 345 C PHE A 24 7.654 -5.211 -5.110 1.00 14.23 C ATOM 346 O PHE A 24 7.540 -4.124 -5.686 1.00 4.00 O ATOM 347 CB PHE A 24 8.238 -4.402 -2.727 1.00 40.03 C ATOM 348 CG PHE A 24 7.482 -3.469 -1.767 1.00 54.31 C ATOM 349 CD1 PHE A 24 6.231 -2.944 -2.115 1.00 43.55 C ATOM 350 CD2 PHE A 24 8.028 -3.095 -0.540 1.00 55.24 C ATOM 351 CE1 PHE A 24 5.557 -2.088 -1.270 1.00 45.14 C ATOM 352 CE2 PHE A 24 7.350 -2.240 0.303 1.00 55.22 C ATOM 353 CZ PHE A 24 6.115 -1.741 -0.063 1.00 13.42 C ATOM 0 H PHE A 24 8.185 -6.922 -2.503 1.00 13.01 H new ATOM 0 HA PHE A 24 6.286 -4.998 -3.502 1.00 72.02 H new ATOM 0 HB2 PHE A 24 8.918 -5.025 -2.146 1.00 40.03 H new ATOM 0 HB3 PHE A 24 8.852 -3.796 -3.393 1.00 40.03 H new ATOM 0 HD1 PHE A 24 5.787 -3.214 -3.062 1.00 43.55 H new ATOM 0 HD2 PHE A 24 8.994 -3.480 -0.246 1.00 55.24 H new ATOM 0 HE1 PHE A 24 4.594 -1.692 -1.556 1.00 45.14 H new ATOM 0 HE2 PHE A 24 7.785 -1.960 1.251 1.00 55.22 H new ATOM 0 HZ PHE A 24 5.586 -1.075 0.602 1.00 13.42 H new ATOM 363 N SER A 25 8.068 -6.314 -5.745 1.00 32.21 N ATOM 364 CA SER A 25 8.239 -6.378 -7.218 1.00 12.22 C ATOM 365 C SER A 25 6.972 -6.977 -7.887 1.00 30.34 C ATOM 366 O SER A 25 6.833 -6.950 -9.107 1.00 74.04 O ATOM 367 CB SER A 25 9.489 -7.219 -7.574 1.00 13.11 C ATOM 368 OG SER A 25 9.734 -7.234 -8.975 1.00 4.23 O ATOM 0 H SER A 25 8.295 -7.185 -5.265 1.00 32.21 H new ATOM 0 HA SER A 25 8.380 -5.366 -7.597 1.00 12.22 H new ATOM 0 HB2 SER A 25 10.359 -6.814 -7.057 1.00 13.11 H new ATOM 0 HB3 SER A 25 9.354 -8.240 -7.218 1.00 13.11 H new ATOM 0 HG SER A 25 8.881 -7.214 -9.457 1.00 4.23 H new ATOM 374 N ALA A 26 6.031 -7.486 -7.066 1.00 34.43 N ATOM 375 CA ALA A 26 4.784 -8.143 -7.549 1.00 41.25 C ATOM 376 C ALA A 26 3.588 -7.172 -7.504 1.00 13.22 C ATOM 377 O ALA A 26 2.479 -7.521 -7.930 1.00 12.03 O ATOM 378 CB ALA A 26 4.478 -9.397 -6.712 1.00 73.32 C ATOM 0 H ALA A 26 6.107 -7.457 -6.049 1.00 34.43 H new ATOM 0 HA ALA A 26 4.943 -8.439 -8.586 1.00 41.25 H new ATOM 0 HB1 ALA A 26 3.564 -9.865 -7.078 1.00 73.32 H new ATOM 0 HB2 ALA A 26 5.305 -10.102 -6.797 1.00 73.32 H new ATOM 0 HB3 ALA A 26 4.348 -9.114 -5.667 1.00 73.32 H new ATOM 384 N ILE A 27 3.830 -5.947 -6.997 1.00 61.42 N ATOM 385 CA ILE A 27 2.794 -4.906 -6.882 1.00 64.01 C ATOM 386 C ILE A 27 2.260 -4.452 -8.277 1.00 54.34 C ATOM 387 O ILE A 27 1.098 -4.053 -8.405 1.00 70.12 O ATOM 388 CB ILE A 27 3.301 -3.675 -6.032 1.00 73.13 C ATOM 389 CG1 ILE A 27 2.129 -2.669 -5.773 1.00 34.22 C ATOM 390 CG2 ILE A 27 4.505 -2.982 -6.708 1.00 25.01 C ATOM 391 CD1 ILE A 27 2.417 -1.550 -4.790 1.00 64.33 C ATOM 0 H ILE A 27 4.746 -5.654 -6.657 1.00 61.42 H new ATOM 0 HA ILE A 27 1.955 -5.353 -6.349 1.00 64.01 H new ATOM 0 HB ILE A 27 3.646 -4.046 -5.067 1.00 73.13 H new ATOM 0 HG12 ILE A 27 1.842 -2.224 -6.726 1.00 34.22 H new ATOM 0 HG13 ILE A 27 1.268 -3.231 -5.411 1.00 34.22 H new ATOM 0 HG21 ILE A 27 4.829 -2.139 -6.098 1.00 25.01 H new ATOM 0 HG22 ILE A 27 5.325 -3.693 -6.809 1.00 25.01 H new ATOM 0 HG23 ILE A 27 4.212 -2.624 -7.695 1.00 25.01 H new ATOM 0 HD11 ILE A 27 1.535 -0.917 -4.690 1.00 64.33 H new ATOM 0 HD12 ILE A 27 2.670 -1.975 -3.819 1.00 64.33 H new ATOM 0 HD13 ILE A 27 3.253 -0.952 -5.154 1.00 64.33 H new ATOM 403 N HIS A 28 3.101 -4.586 -9.332 1.00 4.13 N ATOM 404 CA HIS A 28 2.715 -4.195 -10.716 1.00 12.34 C ATOM 405 C HIS A 28 1.682 -5.170 -11.353 1.00 24.42 C ATOM 406 O HIS A 28 1.135 -4.891 -12.424 1.00 32.01 O ATOM 407 CB HIS A 28 3.979 -4.030 -11.614 1.00 31.12 C ATOM 408 CG HIS A 28 4.656 -5.296 -12.097 1.00 30.35 C ATOM 409 ND1 HIS A 28 5.702 -5.905 -11.437 1.00 32.32 N ATOM 410 CD2 HIS A 28 4.468 -6.023 -13.227 1.00 54.32 C ATOM 411 CE1 HIS A 28 6.119 -6.943 -12.139 1.00 53.31 C ATOM 412 NE2 HIS A 28 5.391 -7.035 -13.226 1.00 0.22 N ATOM 0 H HIS A 28 4.047 -4.960 -9.255 1.00 4.13 H new ATOM 0 HA HIS A 28 2.214 -3.229 -10.647 1.00 12.34 H new ATOM 0 HB2 HIS A 28 3.698 -3.443 -12.488 1.00 31.12 H new ATOM 0 HB3 HIS A 28 4.713 -3.445 -11.060 1.00 31.12 H new ATOM 0 HD1 HIS A 28 6.093 -5.601 -10.545 1.00 32.32 H new ATOM 0 HD2 HIS A 28 3.725 -5.837 -13.989 1.00 54.32 H new ATOM 0 HE1 HIS A 28 6.926 -7.606 -11.864 1.00 53.31 H new ATOM 421 N ARG A 29 1.425 -6.306 -10.675 1.00 51.42 N ATOM 422 CA ARG A 29 0.452 -7.325 -11.127 1.00 2.13 C ATOM 423 C ARG A 29 -0.998 -6.959 -10.723 1.00 41.31 C ATOM 424 O ARG A 29 -1.947 -7.351 -11.408 1.00 35.11 O ATOM 425 CB ARG A 29 0.817 -8.709 -10.534 1.00 20.42 C ATOM 426 CG ARG A 29 2.255 -9.187 -10.838 1.00 60.43 C ATOM 427 CD ARG A 29 2.576 -10.542 -10.178 1.00 50.42 C ATOM 428 NE ARG A 29 3.974 -10.959 -10.409 1.00 22.05 N ATOM 429 CZ ARG A 29 4.675 -11.759 -9.627 1.00 22.10 C ATOM 430 NH1 ARG A 29 4.152 -12.296 -8.564 1.00 42.24 N ATOM 431 NH2 ARG A 29 5.899 -12.030 -9.927 1.00 53.41 N ATOM 0 H ARG A 29 1.886 -6.545 -9.797 1.00 51.42 H new ATOM 0 HA ARG A 29 0.501 -7.361 -12.215 1.00 2.13 H new ATOM 0 HB2 ARG A 29 0.683 -8.672 -9.453 1.00 20.42 H new ATOM 0 HB3 ARG A 29 0.115 -9.449 -10.917 1.00 20.42 H new ATOM 0 HG2 ARG A 29 2.386 -9.271 -11.917 1.00 60.43 H new ATOM 0 HG3 ARG A 29 2.965 -8.438 -10.488 1.00 60.43 H new ATOM 0 HD2 ARG A 29 2.391 -10.475 -9.106 1.00 50.42 H new ATOM 0 HD3 ARG A 29 1.902 -11.304 -10.570 1.00 50.42 H new ATOM 0 HE ARG A 29 4.437 -10.598 -11.243 1.00 22.05 H new ATOM 0 HH11 ARG A 29 3.181 -12.102 -8.320 1.00 42.24 H new ATOM 0 HH12 ARG A 29 4.713 -12.911 -7.975 1.00 42.24 H new ATOM 0 HH21 ARG A 29 6.320 -11.627 -10.764 1.00 53.41 H new ATOM 0 HH22 ARG A 29 6.446 -12.647 -9.327 1.00 53.41 H new ATOM 445 N TRP A 30 -1.166 -6.204 -9.609 1.00 64.23 N ATOM 446 CA TRP A 30 -2.511 -5.896 -9.048 1.00 40.13 C ATOM 447 C TRP A 30 -2.840 -4.394 -9.083 1.00 73.05 C ATOM 448 O TRP A 30 -4.006 -4.019 -9.279 1.00 70.24 O ATOM 449 CB TRP A 30 -2.666 -6.436 -7.599 1.00 51.31 C ATOM 450 CG TRP A 30 -1.741 -5.850 -6.543 1.00 24.14 C ATOM 451 CD1 TRP A 30 -0.482 -6.271 -6.229 1.00 35.33 C ATOM 452 CD2 TRP A 30 -2.027 -4.768 -5.632 1.00 31.11 C ATOM 453 NE1 TRP A 30 0.015 -5.543 -5.184 1.00 43.04 N ATOM 454 CE2 TRP A 30 -0.907 -4.612 -4.804 1.00 4.13 C ATOM 455 CE3 TRP A 30 -3.124 -3.924 -5.436 1.00 32.13 C ATOM 456 CZ2 TRP A 30 -0.842 -3.649 -3.800 1.00 73.11 C ATOM 457 CZ3 TRP A 30 -3.062 -2.967 -4.438 1.00 11.34 C ATOM 458 CH2 TRP A 30 -1.926 -2.840 -3.630 1.00 51.40 C ATOM 0 H TRP A 30 -0.393 -5.798 -9.082 1.00 64.23 H new ATOM 0 HA TRP A 30 -3.225 -6.408 -9.694 1.00 40.13 H new ATOM 0 HB2 TRP A 30 -3.695 -6.265 -7.282 1.00 51.31 H new ATOM 0 HB3 TRP A 30 -2.515 -7.515 -7.621 1.00 51.31 H new ATOM 0 HD1 TRP A 30 0.047 -7.066 -6.734 1.00 35.33 H new ATOM 0 HE1 TRP A 30 0.931 -5.675 -4.756 1.00 43.04 H new ATOM 0 HE3 TRP A 30 -4.005 -4.017 -6.053 1.00 32.13 H new ATOM 0 HZ2 TRP A 30 0.035 -3.547 -3.179 1.00 73.11 H new ATOM 0 HZ3 TRP A 30 -3.903 -2.308 -4.280 1.00 11.34 H new ATOM 0 HH2 TRP A 30 -1.908 -2.086 -2.857 1.00 51.40 H new ATOM 469 N HIS A 31 -1.822 -3.532 -8.881 1.00 2.33 N ATOM 470 CA HIS A 31 -2.035 -2.081 -8.735 1.00 62.14 C ATOM 471 C HIS A 31 -2.100 -1.389 -10.130 1.00 20.22 C ATOM 472 O HIS A 31 -1.092 -1.354 -10.837 1.00 52.33 O ATOM 473 CB HIS A 31 -0.927 -1.450 -7.855 1.00 75.02 C ATOM 474 CG HIS A 31 -1.346 -0.133 -7.253 1.00 62.54 C ATOM 475 ND1 HIS A 31 -1.320 1.037 -7.972 1.00 13.11 N ATOM 476 CD2 HIS A 31 -1.832 0.121 -6.019 1.00 31.05 C ATOM 477 CE1 HIS A 31 -1.804 1.959 -7.162 1.00 71.30 C ATOM 478 NE2 HIS A 31 -2.126 1.454 -5.972 1.00 2.44 N ATOM 0 H HIS A 31 -0.845 -3.818 -8.816 1.00 2.33 H new ATOM 0 HA HIS A 31 -2.992 -1.925 -8.237 1.00 62.14 H new ATOM 0 HB2 HIS A 31 -0.664 -2.143 -7.056 1.00 75.02 H new ATOM 0 HB3 HIS A 31 -0.030 -1.302 -8.457 1.00 75.02 H new ATOM 0 HD2 HIS A 31 -1.963 -0.594 -5.221 1.00 31.05 H new ATOM 0 HE1 HIS A 31 -1.925 2.998 -7.431 1.00 71.30 H new ATOM 0 HE2 HIS A 31 -2.516 1.964 -5.180 1.00 2.44 H new ATOM 486 N PRO A 32 -3.291 -0.839 -10.553 1.00 3.30 N ATOM 487 CA PRO A 32 -3.488 -0.248 -11.916 1.00 33.04 C ATOM 488 C PRO A 32 -2.624 1.015 -12.213 1.00 1.13 C ATOM 489 O PRO A 32 -2.473 1.398 -13.380 1.00 32.24 O ATOM 490 CB PRO A 32 -5.011 0.070 -11.948 1.00 53.23 C ATOM 491 CG PRO A 32 -5.405 0.202 -10.512 1.00 44.03 C ATOM 492 CD PRO A 32 -4.549 -0.786 -9.761 1.00 1.44 C ATOM 0 HA PRO A 32 -3.162 -0.939 -12.694 1.00 33.04 H new ATOM 0 HB2 PRO A 32 -5.212 0.989 -12.499 1.00 53.23 H new ATOM 0 HB3 PRO A 32 -5.571 -0.725 -12.440 1.00 53.23 H new ATOM 0 HG2 PRO A 32 -5.238 1.217 -10.152 1.00 44.03 H new ATOM 0 HG3 PRO A 32 -6.464 -0.015 -10.375 1.00 44.03 H new ATOM 0 HD2 PRO A 32 -4.364 -0.459 -8.738 1.00 1.44 H new ATOM 0 HD3 PRO A 32 -5.026 -1.764 -9.701 1.00 1.44 H new ATOM 500 N GLN A 33 -2.058 1.658 -11.169 1.00 2.50 N ATOM 501 CA GLN A 33 -1.123 2.799 -11.352 1.00 74.23 C ATOM 502 C GLN A 33 0.334 2.295 -11.494 1.00 34.10 C ATOM 503 O GLN A 33 1.117 2.845 -12.282 1.00 54.21 O ATOM 504 CB GLN A 33 -1.237 3.844 -10.195 1.00 33.11 C ATOM 505 CG GLN A 33 -2.513 4.748 -10.220 1.00 44.14 C ATOM 506 CD GLN A 33 -3.703 4.286 -9.352 1.00 71.23 C ATOM 507 OE1 GLN A 33 -3.898 2.990 -9.195 1.00 4.24 O flip ATOM 508 NE2 GLN A 33 -4.463 5.103 -8.842 1.00 20.01 N flip ATOM 0 H GLN A 33 -2.228 1.411 -10.194 1.00 2.50 H new ATOM 0 HA GLN A 33 -1.409 3.306 -12.274 1.00 74.23 H new ATOM 0 HB2 GLN A 33 -1.211 3.311 -9.245 1.00 33.11 H new ATOM 0 HB3 GLN A 33 -0.358 4.488 -10.224 1.00 33.11 H new ATOM 0 HG2 GLN A 33 -2.227 5.750 -9.901 1.00 44.14 H new ATOM 0 HG3 GLN A 33 -2.854 4.827 -11.252 1.00 44.14 H new ATOM 0 HE21 GLN A 33 -4.300 6.101 -8.972 1.00 20.01 H new ATOM 0 HE22 GLN A 33 -5.258 4.784 -8.288 1.00 20.01 H new ATOM 517 N VAL A 34 0.692 1.244 -10.729 1.00 72.00 N ATOM 518 CA VAL A 34 2.019 0.608 -10.827 1.00 24.13 C ATOM 519 C VAL A 34 2.091 -0.328 -12.067 1.00 71.34 C ATOM 520 O VAL A 34 1.546 -1.436 -12.056 1.00 44.15 O ATOM 521 CB VAL A 34 2.356 -0.206 -9.526 1.00 2.22 C ATOM 522 CG1 VAL A 34 3.763 -0.837 -9.621 1.00 40.15 C ATOM 523 CG2 VAL A 34 2.212 0.682 -8.261 1.00 53.22 C ATOM 0 H VAL A 34 0.078 0.818 -10.035 1.00 72.00 H new ATOM 0 HA VAL A 34 2.756 1.403 -10.939 1.00 24.13 H new ATOM 0 HB VAL A 34 1.636 -1.019 -9.437 1.00 2.22 H new ATOM 0 HG11 VAL A 34 3.974 -1.395 -8.709 1.00 40.15 H new ATOM 0 HG12 VAL A 34 3.802 -1.511 -10.476 1.00 40.15 H new ATOM 0 HG13 VAL A 34 4.507 -0.050 -9.745 1.00 40.15 H new ATOM 0 HG21 VAL A 34 2.451 0.094 -7.375 1.00 53.22 H new ATOM 0 HG22 VAL A 34 2.896 1.528 -8.331 1.00 53.22 H new ATOM 0 HG23 VAL A 34 1.188 1.048 -8.188 1.00 53.22 H new ATOM 533 N SER A 35 2.745 0.144 -13.135 1.00 43.43 N ATOM 534 CA SER A 35 2.911 -0.626 -14.391 1.00 65.44 C ATOM 535 C SER A 35 4.151 -1.546 -14.323 1.00 72.12 C ATOM 536 O SER A 35 4.058 -2.745 -14.617 1.00 22.20 O ATOM 537 CB SER A 35 3.026 0.340 -15.589 1.00 1.34 C ATOM 538 OG SER A 35 3.113 -0.359 -16.821 1.00 54.23 O ATOM 0 H SER A 35 3.176 1.068 -13.161 1.00 43.43 H new ATOM 0 HA SER A 35 2.033 -1.258 -14.523 1.00 65.44 H new ATOM 0 HB2 SER A 35 2.160 1.002 -15.607 1.00 1.34 H new ATOM 0 HB3 SER A 35 3.907 0.970 -15.465 1.00 1.34 H new ATOM 0 HG SER A 35 3.183 0.284 -17.558 1.00 54.23 H new ATOM 544 N ALA A 36 5.306 -0.966 -13.921 1.00 2.14 N ATOM 545 CA ALA A 36 6.581 -1.712 -13.724 1.00 24.10 C ATOM 546 C ALA A 36 7.655 -0.831 -13.008 1.00 14.33 C ATOM 547 O ALA A 36 8.201 0.099 -13.617 1.00 3.23 O ATOM 548 CB ALA A 36 7.136 -2.245 -15.069 1.00 3.53 C ATOM 0 H ALA A 36 5.385 0.031 -13.723 1.00 2.14 H new ATOM 0 HA ALA A 36 6.356 -2.564 -13.083 1.00 24.10 H new ATOM 0 HB1 ALA A 36 8.066 -2.784 -14.891 1.00 3.53 H new ATOM 0 HB2 ALA A 36 6.408 -2.918 -15.522 1.00 3.53 H new ATOM 0 HB3 ALA A 36 7.325 -1.408 -15.742 1.00 3.53 H new ATOM 554 N PRO A 37 7.947 -1.080 -11.687 1.00 72.13 N ATOM 555 CA PRO A 37 9.044 -0.391 -10.956 1.00 53.53 C ATOM 556 C PRO A 37 10.438 -1.065 -11.131 1.00 11.33 C ATOM 557 O PRO A 37 10.539 -2.236 -11.514 1.00 1.12 O ATOM 558 CB PRO A 37 8.554 -0.475 -9.495 1.00 31.45 C ATOM 559 CG PRO A 37 7.822 -1.787 -9.414 1.00 22.45 C ATOM 560 CD PRO A 37 7.206 -2.014 -10.791 1.00 64.44 C ATOM 0 HA PRO A 37 9.215 0.622 -11.321 1.00 53.53 H new ATOM 0 HB2 PRO A 37 9.389 -0.443 -8.795 1.00 31.45 H new ATOM 0 HB3 PRO A 37 7.899 0.360 -9.248 1.00 31.45 H new ATOM 0 HG2 PRO A 37 8.503 -2.597 -9.153 1.00 22.45 H new ATOM 0 HG3 PRO A 37 7.052 -1.757 -8.643 1.00 22.45 H new ATOM 0 HD2 PRO A 37 7.322 -3.049 -11.113 1.00 64.44 H new ATOM 0 HD3 PRO A 37 6.137 -1.799 -10.789 1.00 64.44 H new ATOM 568 N THR A 38 11.510 -0.299 -10.844 1.00 62.11 N ATOM 569 CA THR A 38 12.914 -0.780 -10.916 1.00 34.44 C ATOM 570 C THR A 38 13.471 -1.047 -9.501 1.00 43.41 C ATOM 571 O THR A 38 13.552 -0.129 -8.681 1.00 5.20 O ATOM 572 CB THR A 38 13.821 0.262 -11.647 1.00 64.01 C ATOM 573 OG1 THR A 38 13.344 0.457 -12.991 1.00 30.34 O ATOM 574 CG2 THR A 38 15.305 -0.161 -11.691 1.00 2.42 C ATOM 0 H THR A 38 11.431 0.676 -10.554 1.00 62.11 H new ATOM 0 HA THR A 38 12.918 -1.711 -11.482 1.00 34.44 H new ATOM 0 HB THR A 38 13.764 1.190 -11.077 1.00 64.01 H new ATOM 0 HG1 THR A 38 13.912 1.112 -13.448 1.00 30.34 H new ATOM 0 HG21 THR A 38 15.885 0.601 -12.211 1.00 2.42 H new ATOM 0 HG22 THR A 38 15.682 -0.274 -10.674 1.00 2.42 H new ATOM 0 HG23 THR A 38 15.397 -1.110 -12.219 1.00 2.42 H new ATOM 582 N LEU A 39 13.894 -2.295 -9.241 1.00 70.34 N ATOM 583 CA LEU A 39 14.378 -2.728 -7.911 1.00 5.02 C ATOM 584 C LEU A 39 15.894 -2.466 -7.763 1.00 63.14 C ATOM 585 O LEU A 39 16.700 -2.974 -8.544 1.00 60.02 O ATOM 586 CB LEU A 39 14.030 -4.237 -7.659 1.00 73.24 C ATOM 587 CG LEU A 39 12.656 -4.522 -6.974 1.00 22.11 C ATOM 588 CD1 LEU A 39 12.624 -3.929 -5.550 1.00 52.44 C ATOM 589 CD2 LEU A 39 11.471 -4.017 -7.832 1.00 14.05 C ATOM 0 H LEU A 39 13.912 -3.035 -9.943 1.00 70.34 H new ATOM 0 HA LEU A 39 13.867 -2.137 -7.151 1.00 5.02 H new ATOM 0 HB2 LEU A 39 14.050 -4.758 -8.616 1.00 73.24 H new ATOM 0 HB3 LEU A 39 14.817 -4.672 -7.043 1.00 73.24 H new ATOM 0 HG LEU A 39 12.543 -5.603 -6.889 1.00 22.11 H new ATOM 0 HD11 LEU A 39 11.658 -4.139 -5.090 1.00 52.44 H new ATOM 0 HD12 LEU A 39 13.416 -4.378 -4.951 1.00 52.44 H new ATOM 0 HD13 LEU A 39 12.775 -2.851 -5.601 1.00 52.44 H new ATOM 0 HD21 LEU A 39 10.533 -4.234 -7.321 1.00 14.05 H new ATOM 0 HD22 LEU A 39 11.562 -2.941 -7.981 1.00 14.05 H new ATOM 0 HD23 LEU A 39 11.482 -4.520 -8.799 1.00 14.05 H new ATOM 601 N ARG A 40 16.261 -1.644 -6.759 1.00 33.44 N ATOM 602 CA ARG A 40 17.659 -1.298 -6.450 1.00 50.42 C ATOM 603 C ARG A 40 18.091 -1.996 -5.137 1.00 3.11 C ATOM 604 O ARG A 40 17.522 -1.714 -4.072 1.00 31.43 O ATOM 605 CB ARG A 40 17.813 0.252 -6.304 1.00 42.04 C ATOM 606 CG ARG A 40 16.947 1.072 -7.283 1.00 74.42 C ATOM 607 CD ARG A 40 17.347 2.561 -7.347 1.00 11.43 C ATOM 608 NE ARG A 40 17.312 3.236 -6.029 1.00 20.32 N ATOM 609 CZ ARG A 40 17.133 4.531 -5.837 1.00 71.33 C ATOM 610 NH1 ARG A 40 16.797 5.321 -6.809 1.00 40.23 N ATOM 611 NH2 ARG A 40 17.259 5.026 -4.656 1.00 4.12 N ATOM 0 H ARG A 40 15.587 -1.199 -6.136 1.00 33.44 H new ATOM 0 HA ARG A 40 18.297 -1.638 -7.266 1.00 50.42 H new ATOM 0 HB2 ARG A 40 17.555 0.536 -5.284 1.00 42.04 H new ATOM 0 HB3 ARG A 40 18.860 0.517 -6.454 1.00 42.04 H new ATOM 0 HG2 ARG A 40 17.027 0.638 -8.280 1.00 74.42 H new ATOM 0 HG3 ARG A 40 15.901 0.996 -6.985 1.00 74.42 H new ATOM 0 HD2 ARG A 40 18.352 2.642 -7.762 1.00 11.43 H new ATOM 0 HD3 ARG A 40 16.676 3.081 -8.031 1.00 11.43 H new ATOM 0 HE ARG A 40 17.436 2.653 -5.201 1.00 20.32 H new ATOM 0 HH11 ARG A 40 16.665 4.946 -7.748 1.00 40.23 H new ATOM 0 HH12 ARG A 40 16.665 6.317 -6.634 1.00 40.23 H new ATOM 0 HH21 ARG A 40 17.496 4.419 -3.871 1.00 4.12 H new ATOM 0 HH22 ARG A 40 17.121 6.025 -4.505 1.00 4.12 H new ATOM 625 N GLY A 41 19.143 -2.836 -5.232 1.00 61.05 N ATOM 626 CA GLY A 41 19.695 -3.643 -4.117 1.00 75.12 C ATOM 627 C GLY A 41 18.713 -4.388 -3.164 1.00 13.11 C ATOM 628 O GLY A 41 17.484 -4.282 -3.273 1.00 22.21 O ATOM 0 H GLY A 41 19.647 -2.977 -6.108 1.00 61.05 H new ATOM 0 HA2 GLY A 41 20.362 -4.388 -4.550 1.00 75.12 H new ATOM 0 HA3 GLY A 41 20.309 -2.982 -3.505 1.00 75.12 H new ATOM 632 N ALA A 42 19.313 -5.204 -2.263 1.00 35.01 N ATOM 633 CA ALA A 42 18.650 -5.849 -1.088 1.00 3.10 C ATOM 634 C ALA A 42 17.710 -7.060 -1.411 1.00 34.13 C ATOM 635 O ALA A 42 17.748 -8.040 -0.665 1.00 73.25 O ATOM 636 CB ALA A 42 17.927 -4.814 -0.203 1.00 21.35 C ATOM 0 H ALA A 42 20.302 -5.443 -2.330 1.00 35.01 H new ATOM 0 HA ALA A 42 19.480 -6.286 -0.533 1.00 3.10 H new ATOM 0 HB1 ALA A 42 17.458 -5.321 0.640 1.00 21.35 H new ATOM 0 HB2 ALA A 42 18.648 -4.085 0.167 1.00 21.35 H new ATOM 0 HB3 ALA A 42 17.164 -4.303 -0.790 1.00 21.35 H new ATOM 642 N SER A 43 16.916 -6.989 -2.525 1.00 51.25 N ATOM 643 CA SER A 43 15.818 -7.961 -2.909 1.00 3.02 C ATOM 644 C SER A 43 14.447 -7.570 -2.254 1.00 3.43 C ATOM 645 O SER A 43 14.412 -7.272 -1.061 1.00 50.12 O ATOM 646 CB SER A 43 16.169 -9.450 -2.615 1.00 62.30 C ATOM 647 OG SER A 43 17.324 -9.862 -3.332 1.00 71.11 O ATOM 0 H SER A 43 17.018 -6.236 -3.205 1.00 51.25 H new ATOM 0 HA SER A 43 15.723 -7.879 -3.992 1.00 3.02 H new ATOM 0 HB2 SER A 43 16.336 -9.582 -1.546 1.00 62.30 H new ATOM 0 HB3 SER A 43 15.325 -10.085 -2.886 1.00 62.30 H new ATOM 0 HG SER A 43 17.520 -10.800 -3.126 1.00 71.11 H new ATOM 653 N PRO A 44 13.288 -7.604 -3.031 1.00 71.23 N ATOM 654 CA PRO A 44 11.967 -6.979 -2.629 1.00 72.01 C ATOM 655 C PRO A 44 11.368 -7.418 -1.252 1.00 60.13 C ATOM 656 O PRO A 44 10.571 -6.675 -0.668 1.00 70.42 O ATOM 657 CB PRO A 44 11.005 -7.379 -3.793 1.00 61.50 C ATOM 658 CG PRO A 44 11.685 -8.529 -4.468 1.00 43.12 C ATOM 659 CD PRO A 44 13.166 -8.238 -4.374 1.00 33.05 C ATOM 0 HA PRO A 44 12.110 -5.909 -2.482 1.00 72.01 H new ATOM 0 HB2 PRO A 44 10.024 -7.665 -3.415 1.00 61.50 H new ATOM 0 HB3 PRO A 44 10.851 -6.549 -4.483 1.00 61.50 H new ATOM 0 HG2 PRO A 44 11.439 -9.472 -3.979 1.00 43.12 H new ATOM 0 HG3 PRO A 44 11.368 -8.617 -5.507 1.00 43.12 H new ATOM 0 HD2 PRO A 44 13.763 -9.147 -4.449 1.00 33.05 H new ATOM 0 HD3 PRO A 44 13.499 -7.571 -5.169 1.00 33.05 H new ATOM 667 N HIS A 45 11.719 -8.623 -0.770 1.00 42.12 N ATOM 668 CA HIS A 45 11.253 -9.127 0.558 1.00 54.03 C ATOM 669 C HIS A 45 12.159 -8.640 1.716 1.00 13.41 C ATOM 670 O HIS A 45 11.702 -8.491 2.852 1.00 15.21 O ATOM 671 CB HIS A 45 11.186 -10.677 0.561 1.00 51.13 C ATOM 672 CG HIS A 45 10.068 -11.251 -0.269 1.00 73.43 C ATOM 673 ND1 HIS A 45 8.867 -11.662 0.272 1.00 3.34 N ATOM 674 CD2 HIS A 45 9.974 -11.496 -1.595 1.00 32.34 C ATOM 675 CE1 HIS A 45 8.092 -12.124 -0.677 1.00 13.30 C ATOM 676 NE2 HIS A 45 8.736 -12.037 -1.815 1.00 32.40 N ATOM 0 H HIS A 45 12.323 -9.274 -1.271 1.00 42.12 H new ATOM 0 HA HIS A 45 10.255 -8.721 0.720 1.00 54.03 H new ATOM 0 HB2 HIS A 45 12.134 -11.071 0.194 1.00 51.13 H new ATOM 0 HB3 HIS A 45 11.074 -11.022 1.589 1.00 51.13 H new ATOM 0 HD2 HIS A 45 10.732 -11.302 -2.340 1.00 32.34 H new ATOM 0 HE1 HIS A 45 7.092 -12.511 -0.544 1.00 13.30 H new ATOM 0 HE2 HIS A 45 8.372 -12.327 -2.723 1.00 32.40 H new ATOM 685 N THR A 46 13.435 -8.395 1.406 1.00 22.14 N ATOM 686 CA THR A 46 14.470 -8.028 2.401 1.00 70.54 C ATOM 687 C THR A 46 14.421 -6.509 2.767 1.00 32.13 C ATOM 688 O THR A 46 14.470 -5.661 1.866 1.00 20.32 O ATOM 689 CB THR A 46 15.881 -8.406 1.851 1.00 15.05 C ATOM 690 OG1 THR A 46 15.964 -9.832 1.658 1.00 70.33 O ATOM 691 CG2 THR A 46 17.036 -7.952 2.759 1.00 73.43 C ATOM 0 H THR A 46 13.791 -8.444 0.451 1.00 22.14 H new ATOM 0 HA THR A 46 14.268 -8.586 3.315 1.00 70.54 H new ATOM 0 HB THR A 46 15.993 -7.877 0.904 1.00 15.05 H new ATOM 0 HG1 THR A 46 16.851 -10.064 1.311 1.00 70.33 H new ATOM 0 HG21 THR A 46 17.986 -8.248 2.315 1.00 73.43 H new ATOM 0 HG22 THR A 46 17.009 -6.868 2.868 1.00 73.43 H new ATOM 0 HG23 THR A 46 16.933 -8.418 3.739 1.00 73.43 H new ATOM 699 N PRO A 47 14.271 -6.159 4.098 1.00 53.21 N ATOM 700 CA PRO A 47 14.381 -4.757 4.617 1.00 14.11 C ATOM 701 C PRO A 47 15.581 -3.953 4.035 1.00 53.52 C ATOM 702 O PRO A 47 16.747 -4.246 4.333 1.00 15.21 O ATOM 703 CB PRO A 47 14.543 -4.981 6.142 1.00 43.02 C ATOM 704 CG PRO A 47 13.741 -6.219 6.415 1.00 41.44 C ATOM 705 CD PRO A 47 13.917 -7.107 5.196 1.00 31.41 C ATOM 0 HA PRO A 47 13.520 -4.152 4.333 1.00 14.11 H new ATOM 0 HB2 PRO A 47 15.589 -5.115 6.417 1.00 43.02 H new ATOM 0 HB3 PRO A 47 14.170 -4.130 6.712 1.00 43.02 H new ATOM 0 HG2 PRO A 47 14.092 -6.720 7.317 1.00 41.44 H new ATOM 0 HG3 PRO A 47 12.690 -5.977 6.573 1.00 41.44 H new ATOM 0 HD2 PRO A 47 14.703 -7.846 5.352 1.00 31.41 H new ATOM 0 HD3 PRO A 47 13.003 -7.656 4.968 1.00 31.41 H new ATOM 713 N GLY A 48 15.272 -2.954 3.184 1.00 35.21 N ATOM 714 CA GLY A 48 16.291 -2.139 2.492 1.00 2.30 C ATOM 715 C GLY A 48 15.992 -1.948 1.001 1.00 72.14 C ATOM 716 O GLY A 48 16.489 -1.004 0.379 1.00 25.22 O ATOM 0 H GLY A 48 14.313 -2.690 2.958 1.00 35.21 H new ATOM 0 HA2 GLY A 48 16.355 -1.163 2.972 1.00 2.30 H new ATOM 0 HA3 GLY A 48 17.266 -2.614 2.604 1.00 2.30 H new ATOM 720 N ALA A 49 15.171 -2.857 0.431 1.00 34.44 N ATOM 721 CA ALA A 49 14.864 -2.898 -1.021 1.00 43.12 C ATOM 722 C ALA A 49 14.122 -1.645 -1.523 1.00 12.34 C ATOM 723 O ALA A 49 13.058 -1.314 -1.020 1.00 21.10 O ATOM 724 CB ALA A 49 14.032 -4.139 -1.326 1.00 24.35 C ATOM 0 H ALA A 49 14.699 -3.587 0.965 1.00 34.44 H new ATOM 0 HA ALA A 49 15.818 -2.930 -1.547 1.00 43.12 H new ATOM 0 HB1 ALA A 49 13.805 -4.172 -2.392 1.00 24.35 H new ATOM 0 HB2 ALA A 49 14.593 -5.031 -1.047 1.00 24.35 H new ATOM 0 HB3 ALA A 49 13.102 -4.103 -0.758 1.00 24.35 H new ATOM 730 N GLU A 50 14.664 -0.989 -2.551 1.00 23.22 N ATOM 731 CA GLU A 50 14.069 0.232 -3.138 1.00 43.20 C ATOM 732 C GLU A 50 13.399 -0.119 -4.475 1.00 65.23 C ATOM 733 O GLU A 50 13.957 -0.902 -5.228 1.00 41.51 O ATOM 734 CB GLU A 50 15.173 1.304 -3.369 1.00 21.31 C ATOM 735 CG GLU A 50 16.025 1.622 -2.128 1.00 10.51 C ATOM 736 CD GLU A 50 17.042 2.746 -2.365 1.00 52.10 C ATOM 737 OE1 GLU A 50 18.037 2.518 -3.098 1.00 20.24 O ATOM 738 OE2 GLU A 50 16.842 3.875 -1.866 1.00 2.42 O ATOM 0 H GLU A 50 15.528 -1.283 -3.006 1.00 23.22 H new ATOM 0 HA GLU A 50 13.324 0.634 -2.452 1.00 43.20 H new ATOM 0 HB2 GLU A 50 15.831 0.963 -4.168 1.00 21.31 H new ATOM 0 HB3 GLU A 50 14.702 2.224 -3.715 1.00 21.31 H new ATOM 0 HG2 GLU A 50 15.367 1.904 -1.306 1.00 10.51 H new ATOM 0 HG3 GLU A 50 16.555 0.721 -1.818 1.00 10.51 H new ATOM 745 N ARG A 51 12.193 0.405 -4.773 1.00 33.53 N ATOM 746 CA ARG A 51 11.631 0.311 -6.150 1.00 44.22 C ATOM 747 C ARG A 51 11.210 1.694 -6.672 1.00 42.41 C ATOM 748 O ARG A 51 10.565 2.479 -5.970 1.00 25.24 O ATOM 749 CB ARG A 51 10.473 -0.725 -6.259 1.00 20.34 C ATOM 750 CG ARG A 51 9.089 -0.315 -5.665 1.00 53.11 C ATOM 751 CD ARG A 51 8.582 -1.275 -4.565 1.00 63.30 C ATOM 752 NE ARG A 51 9.024 -0.874 -3.220 1.00 34.22 N ATOM 753 CZ ARG A 51 10.139 -1.204 -2.611 1.00 41.14 C ATOM 754 NH1 ARG A 51 11.006 -2.005 -3.153 1.00 41.21 N ATOM 755 NH2 ARG A 51 10.359 -0.737 -1.429 1.00 62.51 N ATOM 0 H ARG A 51 11.596 0.888 -4.102 1.00 33.53 H new ATOM 0 HA ARG A 51 12.430 -0.061 -6.792 1.00 44.22 H new ATOM 0 HB2 ARG A 51 10.331 -0.963 -7.313 1.00 20.34 H new ATOM 0 HB3 ARG A 51 10.794 -1.643 -5.766 1.00 20.34 H new ATOM 0 HG2 ARG A 51 9.163 0.691 -5.252 1.00 53.11 H new ATOM 0 HG3 ARG A 51 8.354 -0.276 -6.469 1.00 53.11 H new ATOM 0 HD2 ARG A 51 7.493 -1.309 -4.591 1.00 63.30 H new ATOM 0 HD3 ARG A 51 8.938 -2.284 -4.775 1.00 63.30 H new ATOM 0 HE ARG A 51 8.389 -0.268 -2.700 1.00 34.22 H new ATOM 0 HH11 ARG A 51 10.830 -2.397 -4.078 1.00 41.21 H new ATOM 0 HH12 ARG A 51 11.863 -2.242 -2.654 1.00 41.21 H new ATOM 0 HH21 ARG A 51 9.673 -0.125 -0.987 1.00 62.51 H new ATOM 0 HH22 ARG A 51 11.219 -0.980 -0.937 1.00 62.51 H new ATOM 769 N VAL A 52 11.609 1.988 -7.918 1.00 5.31 N ATOM 770 CA VAL A 52 11.382 3.293 -8.557 1.00 60.05 C ATOM 771 C VAL A 52 10.402 3.135 -9.740 1.00 33.13 C ATOM 772 O VAL A 52 10.751 2.566 -10.781 1.00 41.33 O ATOM 773 CB VAL A 52 12.729 3.939 -9.043 1.00 21.25 C ATOM 774 CG1 VAL A 52 12.498 5.391 -9.530 1.00 10.43 C ATOM 775 CG2 VAL A 52 13.814 3.884 -7.934 1.00 4.45 C ATOM 0 H VAL A 52 12.101 1.323 -8.515 1.00 5.31 H new ATOM 0 HA VAL A 52 10.946 3.962 -7.816 1.00 60.05 H new ATOM 0 HB VAL A 52 13.095 3.355 -9.887 1.00 21.25 H new ATOM 0 HG11 VAL A 52 13.444 5.818 -9.862 1.00 10.43 H new ATOM 0 HG12 VAL A 52 11.790 5.388 -10.359 1.00 10.43 H new ATOM 0 HG13 VAL A 52 12.096 5.989 -8.712 1.00 10.43 H new ATOM 0 HG21 VAL A 52 14.734 4.339 -8.302 1.00 4.45 H new ATOM 0 HG22 VAL A 52 13.465 4.429 -7.057 1.00 4.45 H new ATOM 0 HG23 VAL A 52 14.006 2.846 -7.664 1.00 4.45 H new ATOM 785 N PHE A 53 9.171 3.627 -9.546 1.00 14.31 N ATOM 786 CA PHE A 53 8.073 3.543 -10.532 1.00 22.33 C ATOM 787 C PHE A 53 8.350 4.479 -11.741 1.00 34.14 C ATOM 788 O PHE A 53 7.843 5.601 -11.804 1.00 40.03 O ATOM 789 CB PHE A 53 6.732 3.899 -9.825 1.00 52.15 C ATOM 790 CG PHE A 53 6.478 3.110 -8.525 1.00 44.21 C ATOM 791 CD1 PHE A 53 5.867 1.865 -8.548 1.00 45.53 C ATOM 792 CD2 PHE A 53 6.864 3.619 -7.279 1.00 31.21 C ATOM 793 CE1 PHE A 53 5.645 1.154 -7.379 1.00 14.33 C ATOM 794 CE2 PHE A 53 6.644 2.908 -6.113 1.00 62.43 C ATOM 795 CZ PHE A 53 6.031 1.675 -6.165 1.00 44.52 C ATOM 0 H PHE A 53 8.900 4.104 -8.686 1.00 14.31 H new ATOM 0 HA PHE A 53 8.004 2.528 -10.924 1.00 22.33 H new ATOM 0 HB2 PHE A 53 6.725 4.965 -9.598 1.00 52.15 H new ATOM 0 HB3 PHE A 53 5.909 3.715 -10.516 1.00 52.15 H new ATOM 0 HD1 PHE A 53 5.559 1.442 -9.493 1.00 45.53 H new ATOM 0 HD2 PHE A 53 7.343 4.586 -7.227 1.00 31.21 H new ATOM 0 HE1 PHE A 53 5.167 0.187 -7.421 1.00 14.33 H new ATOM 0 HE2 PHE A 53 6.952 3.319 -5.163 1.00 62.43 H new ATOM 0 HZ PHE A 53 5.854 1.119 -5.256 1.00 44.52 H new ATOM 805 N GLY A 54 9.208 4.006 -12.668 1.00 13.42 N ATOM 806 CA GLY A 54 9.659 4.796 -13.827 1.00 12.32 C ATOM 807 C GLY A 54 11.180 4.722 -14.014 1.00 33.01 C ATOM 808 O GLY A 54 11.664 4.172 -15.015 1.00 40.33 O ATOM 0 H GLY A 54 9.606 3.067 -12.632 1.00 13.42 H new ATOM 0 HA2 GLY A 54 9.165 4.433 -14.728 1.00 12.32 H new ATOM 0 HA3 GLY A 54 9.360 5.836 -13.696 1.00 12.32 H new ATOM 812 N ALA A 55 11.920 5.283 -13.030 1.00 55.12 N ATOM 813 CA ALA A 55 13.412 5.309 -12.988 1.00 31.03 C ATOM 814 C ALA A 55 14.046 6.154 -14.129 1.00 43.25 C ATOM 815 O ALA A 55 14.128 5.703 -15.276 1.00 2.13 O ATOM 816 CB ALA A 55 13.996 3.877 -12.954 1.00 31.03 C ATOM 0 H ALA A 55 11.494 5.741 -12.224 1.00 55.12 H new ATOM 0 HA ALA A 55 13.681 5.811 -12.059 1.00 31.03 H new ATOM 0 HB1 ALA A 55 15.084 3.929 -12.924 1.00 31.03 H new ATOM 0 HB2 ALA A 55 13.633 3.357 -12.068 1.00 31.03 H new ATOM 0 HB3 ALA A 55 13.683 3.335 -13.847 1.00 31.03 H new ATOM 822 N GLY A 56 14.485 7.388 -13.794 1.00 22.15 N ATOM 823 CA GLY A 56 15.176 8.278 -14.756 1.00 1.34 C ATOM 824 C GLY A 56 14.254 8.836 -15.846 1.00 12.40 C ATOM 825 O GLY A 56 14.666 9.036 -16.995 1.00 21.03 O ATOM 0 H GLY A 56 14.373 7.791 -12.864 1.00 22.15 H new ATOM 0 HA2 GLY A 56 15.626 9.109 -14.212 1.00 1.34 H new ATOM 0 HA3 GLY A 56 15.990 7.728 -15.227 1.00 1.34 H new ATOM 829 N THR A 57 13.002 9.103 -15.461 1.00 74.55 N ATOM 830 CA THR A 57 11.917 9.521 -16.373 1.00 44.11 C ATOM 831 C THR A 57 11.419 10.950 -16.038 1.00 41.43 C ATOM 832 O THR A 57 12.126 11.726 -15.391 1.00 10.21 O ATOM 833 CB THR A 57 10.732 8.495 -16.277 1.00 14.51 C ATOM 834 OG1 THR A 57 10.269 8.381 -14.912 1.00 34.43 O ATOM 835 CG2 THR A 57 11.131 7.102 -16.801 1.00 35.35 C ATOM 0 H THR A 57 12.702 9.035 -14.488 1.00 74.55 H new ATOM 0 HA THR A 57 12.306 9.537 -17.391 1.00 44.11 H new ATOM 0 HB THR A 57 9.928 8.877 -16.906 1.00 14.51 H new ATOM 0 HG1 THR A 57 9.530 7.739 -14.870 1.00 34.43 H new ATOM 0 HG21 THR A 57 10.282 6.424 -16.716 1.00 35.35 H new ATOM 0 HG22 THR A 57 11.431 7.179 -17.846 1.00 35.35 H new ATOM 0 HG23 THR A 57 11.963 6.716 -16.212 1.00 35.35 H new ATOM 843 N GLU A 58 10.215 11.304 -16.529 1.00 2.45 N ATOM 844 CA GLU A 58 9.556 12.594 -16.224 1.00 73.44 C ATOM 845 C GLU A 58 8.773 12.523 -14.894 1.00 40.22 C ATOM 846 O GLU A 58 8.946 13.369 -14.011 1.00 14.12 O ATOM 847 CB GLU A 58 8.616 12.971 -17.401 1.00 71.14 C ATOM 848 CG GLU A 58 9.339 13.110 -18.760 1.00 40.31 C ATOM 849 CD GLU A 58 8.383 13.195 -19.963 1.00 3.52 C ATOM 850 OE1 GLU A 58 7.871 14.294 -20.268 1.00 32.34 O ATOM 851 OE2 GLU A 58 8.135 12.153 -20.608 1.00 34.41 O ATOM 0 H GLU A 58 9.670 10.705 -17.149 1.00 2.45 H new ATOM 0 HA GLU A 58 10.318 13.365 -16.106 1.00 73.44 H new ATOM 0 HB2 GLU A 58 7.839 12.212 -17.490 1.00 71.14 H new ATOM 0 HB3 GLU A 58 8.117 13.912 -17.168 1.00 71.14 H new ATOM 0 HG2 GLU A 58 9.964 14.003 -18.740 1.00 40.31 H new ATOM 0 HG3 GLU A 58 10.005 12.258 -18.896 1.00 40.31 H new ATOM 858 N GLU A 59 7.899 11.512 -14.763 1.00 12.25 N ATOM 859 CA GLU A 59 7.102 11.282 -13.537 1.00 33.02 C ATOM 860 C GLU A 59 7.407 9.896 -12.926 1.00 22.33 C ATOM 861 O GLU A 59 6.725 8.905 -13.222 1.00 30.54 O ATOM 862 CB GLU A 59 5.581 11.418 -13.828 1.00 63.31 C ATOM 863 CG GLU A 59 5.129 12.810 -14.304 1.00 74.11 C ATOM 864 CD GLU A 59 3.614 12.883 -14.553 1.00 73.33 C ATOM 865 OE1 GLU A 59 2.857 13.162 -13.595 1.00 55.41 O ATOM 866 OE2 GLU A 59 3.173 12.652 -15.702 1.00 71.34 O ATOM 0 H GLU A 59 7.722 10.830 -15.500 1.00 12.25 H new ATOM 0 HA GLU A 59 7.385 12.046 -12.813 1.00 33.02 H new ATOM 0 HB2 GLU A 59 5.305 10.685 -14.586 1.00 63.31 H new ATOM 0 HB3 GLU A 59 5.030 11.164 -12.923 1.00 63.31 H new ATOM 0 HG2 GLU A 59 5.408 13.554 -13.558 1.00 74.11 H new ATOM 0 HG3 GLU A 59 5.658 13.066 -15.222 1.00 74.11 H new ATOM 873 N GLU A 60 8.459 9.829 -12.095 1.00 11.23 N ATOM 874 CA GLU A 60 8.798 8.608 -11.320 1.00 23.20 C ATOM 875 C GLU A 60 8.586 8.832 -9.810 1.00 55.21 C ATOM 876 O GLU A 60 8.626 9.964 -9.320 1.00 73.30 O ATOM 877 CB GLU A 60 10.262 8.128 -11.565 1.00 34.23 C ATOM 878 CG GLU A 60 11.384 9.107 -11.117 1.00 32.42 C ATOM 879 CD GLU A 60 11.868 10.066 -12.222 1.00 5.33 C ATOM 880 OE1 GLU A 60 11.057 10.871 -12.727 1.00 21.10 O ATOM 881 OE2 GLU A 60 13.060 10.008 -12.593 1.00 11.12 O ATOM 0 H GLU A 60 9.098 10.608 -11.937 1.00 11.23 H new ATOM 0 HA GLU A 60 8.122 7.830 -11.675 1.00 23.20 H new ATOM 0 HB2 GLU A 60 10.405 7.181 -11.045 1.00 34.23 H new ATOM 0 HB3 GLU A 60 10.385 7.929 -12.630 1.00 34.23 H new ATOM 0 HG2 GLU A 60 11.021 9.696 -10.275 1.00 32.42 H new ATOM 0 HG3 GLU A 60 12.234 8.527 -10.758 1.00 32.42 H new ATOM 888 N LEU A 61 8.365 7.732 -9.082 1.00 23.35 N ATOM 889 CA LEU A 61 8.304 7.731 -7.608 1.00 14.00 C ATOM 890 C LEU A 61 9.392 6.789 -7.068 1.00 54.12 C ATOM 891 O LEU A 61 9.415 5.610 -7.420 1.00 70.03 O ATOM 892 CB LEU A 61 6.892 7.287 -7.125 1.00 14.34 C ATOM 893 CG LEU A 61 6.706 7.128 -5.578 1.00 22.11 C ATOM 894 CD1 LEU A 61 6.977 8.448 -4.835 1.00 15.24 C ATOM 895 CD2 LEU A 61 5.306 6.567 -5.230 1.00 54.25 C ATOM 0 H LEU A 61 8.222 6.811 -9.496 1.00 23.35 H new ATOM 0 HA LEU A 61 8.481 8.738 -7.229 1.00 14.00 H new ATOM 0 HB2 LEU A 61 6.163 8.014 -7.484 1.00 14.34 H new ATOM 0 HB3 LEU A 61 6.652 6.335 -7.598 1.00 14.34 H new ATOM 0 HG LEU A 61 7.446 6.403 -5.238 1.00 22.11 H new ATOM 0 HD11 LEU A 61 6.838 8.298 -3.764 1.00 15.24 H new ATOM 0 HD12 LEU A 61 8.001 8.770 -5.026 1.00 15.24 H new ATOM 0 HD13 LEU A 61 6.285 9.213 -5.187 1.00 15.24 H new ATOM 0 HD21 LEU A 61 5.212 6.470 -4.148 1.00 54.25 H new ATOM 0 HD22 LEU A 61 4.539 7.247 -5.601 1.00 54.25 H new ATOM 0 HD23 LEU A 61 5.180 5.589 -5.695 1.00 54.25 H new ATOM 907 N VAL A 62 10.299 7.308 -6.222 1.00 63.10 N ATOM 908 CA VAL A 62 11.354 6.484 -5.600 1.00 61.24 C ATOM 909 C VAL A 62 10.868 6.039 -4.214 1.00 61.21 C ATOM 910 O VAL A 62 10.606 6.879 -3.352 1.00 35.11 O ATOM 911 CB VAL A 62 12.716 7.253 -5.452 1.00 74.05 C ATOM 912 CG1 VAL A 62 13.818 6.342 -4.841 1.00 45.14 C ATOM 913 CG2 VAL A 62 13.168 7.853 -6.806 1.00 3.15 C ATOM 0 H VAL A 62 10.324 8.292 -5.953 1.00 63.10 H new ATOM 0 HA VAL A 62 11.540 5.629 -6.250 1.00 61.24 H new ATOM 0 HB VAL A 62 12.555 8.080 -4.760 1.00 74.05 H new ATOM 0 HG11 VAL A 62 14.747 6.905 -4.752 1.00 45.14 H new ATOM 0 HG12 VAL A 62 13.504 6.003 -3.854 1.00 45.14 H new ATOM 0 HG13 VAL A 62 13.977 5.479 -5.488 1.00 45.14 H new ATOM 0 HG21 VAL A 62 14.113 8.379 -6.673 1.00 3.15 H new ATOM 0 HG22 VAL A 62 13.298 7.052 -7.534 1.00 3.15 H new ATOM 0 HG23 VAL A 62 12.412 8.551 -7.165 1.00 3.15 H new ATOM 923 N GLU A 63 10.731 4.723 -4.025 1.00 32.34 N ATOM 924 CA GLU A 63 10.268 4.127 -2.756 1.00 42.50 C ATOM 925 C GLU A 63 11.409 3.297 -2.112 1.00 65.01 C ATOM 926 O GLU A 63 12.363 2.924 -2.795 1.00 53.52 O ATOM 927 CB GLU A 63 9.022 3.234 -3.015 1.00 71.54 C ATOM 928 CG GLU A 63 8.113 3.011 -1.779 1.00 34.44 C ATOM 929 CD GLU A 63 7.486 1.615 -1.740 1.00 61.00 C ATOM 930 OE1 GLU A 63 6.549 1.338 -2.518 1.00 13.23 O ATOM 931 OE2 GLU A 63 7.968 0.773 -0.955 1.00 41.13 O ATOM 0 H GLU A 63 10.938 4.033 -4.748 1.00 32.34 H new ATOM 0 HA GLU A 63 9.988 4.924 -2.067 1.00 42.50 H new ATOM 0 HB2 GLU A 63 8.427 3.686 -3.809 1.00 71.54 H new ATOM 0 HB3 GLU A 63 9.358 2.264 -3.381 1.00 71.54 H new ATOM 0 HG2 GLU A 63 8.698 3.166 -0.872 1.00 34.44 H new ATOM 0 HG3 GLU A 63 7.320 3.759 -1.778 1.00 34.44 H new ATOM 938 N ARG A 64 11.284 2.988 -0.808 1.00 10.42 N ATOM 939 CA ARG A 64 12.351 2.320 -0.020 1.00 71.22 C ATOM 940 C ARG A 64 11.726 1.486 1.128 1.00 62.31 C ATOM 941 O ARG A 64 10.989 2.020 1.957 1.00 2.32 O ATOM 942 CB ARG A 64 13.348 3.401 0.521 1.00 34.41 C ATOM 943 CG ARG A 64 14.697 2.881 1.106 1.00 41.24 C ATOM 944 CD ARG A 64 14.634 2.433 2.577 1.00 53.24 C ATOM 945 NE ARG A 64 15.950 1.976 3.057 1.00 24.13 N ATOM 946 CZ ARG A 64 16.195 1.435 4.230 1.00 32.02 C ATOM 947 NH1 ARG A 64 15.248 1.234 5.092 1.00 73.51 N ATOM 948 NH2 ARG A 64 17.403 1.082 4.518 1.00 53.52 N ATOM 0 H ARG A 64 10.444 3.192 -0.266 1.00 10.42 H new ATOM 0 HA ARG A 64 12.907 1.631 -0.656 1.00 71.22 H new ATOM 0 HB2 ARG A 64 13.573 4.092 -0.291 1.00 34.41 H new ATOM 0 HB3 ARG A 64 12.840 3.975 1.296 1.00 34.41 H new ATOM 0 HG2 ARG A 64 15.040 2.042 0.500 1.00 41.24 H new ATOM 0 HG3 ARG A 64 15.445 3.669 1.013 1.00 41.24 H new ATOM 0 HD2 ARG A 64 14.286 3.260 3.196 1.00 53.24 H new ATOM 0 HD3 ARG A 64 13.907 1.628 2.683 1.00 53.24 H new ATOM 0 HE ARG A 64 16.741 2.089 2.423 1.00 24.13 H new ATOM 0 HH11 ARG A 64 14.289 1.497 4.866 1.00 73.51 H new ATOM 0 HH12 ARG A 64 15.462 0.813 5.996 1.00 73.51 H new ATOM 0 HH21 ARG A 64 18.151 1.224 3.840 1.00 53.52 H new ATOM 0 HH22 ARG A 64 17.609 0.661 5.424 1.00 53.52 H new ATOM 962 N LEU A 65 12.061 0.187 1.187 1.00 23.34 N ATOM 963 CA LEU A 65 11.550 -0.751 2.216 1.00 52.25 C ATOM 964 C LEU A 65 12.368 -0.625 3.519 1.00 72.34 C ATOM 965 O LEU A 65 13.593 -0.696 3.494 1.00 44.10 O ATOM 966 CB LEU A 65 11.602 -2.212 1.679 1.00 70.15 C ATOM 967 CG LEU A 65 11.134 -3.343 2.653 1.00 71.51 C ATOM 968 CD1 LEU A 65 9.708 -3.084 3.156 1.00 2.11 C ATOM 969 CD2 LEU A 65 11.238 -4.737 1.986 1.00 34.34 C ATOM 0 H LEU A 65 12.697 -0.251 0.521 1.00 23.34 H new ATOM 0 HA LEU A 65 10.514 -0.495 2.438 1.00 52.25 H new ATOM 0 HB2 LEU A 65 10.989 -2.264 0.779 1.00 70.15 H new ATOM 0 HB3 LEU A 65 12.628 -2.426 1.379 1.00 70.15 H new ATOM 0 HG LEU A 65 11.802 -3.333 3.514 1.00 71.51 H new ATOM 0 HD11 LEU A 65 9.409 -3.886 3.831 1.00 2.11 H new ATOM 0 HD12 LEU A 65 9.677 -2.132 3.687 1.00 2.11 H new ATOM 0 HD13 LEU A 65 9.024 -3.049 2.308 1.00 2.11 H new ATOM 0 HD21 LEU A 65 10.906 -5.502 2.688 1.00 34.34 H new ATOM 0 HD22 LEU A 65 10.608 -4.763 1.097 1.00 34.34 H new ATOM 0 HD23 LEU A 65 12.273 -4.929 1.703 1.00 34.34 H new ATOM 981 N VAL A 66 11.676 -0.427 4.653 1.00 73.32 N ATOM 982 CA VAL A 66 12.317 -0.278 5.984 1.00 31.32 C ATOM 983 C VAL A 66 12.343 -1.626 6.747 1.00 65.34 C ATOM 984 O VAL A 66 13.367 -2.005 7.334 1.00 30.43 O ATOM 985 CB VAL A 66 11.577 0.833 6.823 1.00 61.11 C ATOM 986 CG1 VAL A 66 12.178 1.003 8.248 1.00 72.42 C ATOM 987 CG2 VAL A 66 11.586 2.179 6.051 1.00 24.54 C ATOM 0 H VAL A 66 10.658 -0.365 4.680 1.00 73.32 H new ATOM 0 HA VAL A 66 13.351 0.033 5.834 1.00 31.32 H new ATOM 0 HB VAL A 66 10.546 0.507 6.959 1.00 61.11 H new ATOM 0 HG11 VAL A 66 11.632 1.780 8.783 1.00 72.42 H new ATOM 0 HG12 VAL A 66 12.096 0.062 8.792 1.00 72.42 H new ATOM 0 HG13 VAL A 66 13.228 1.286 8.169 1.00 72.42 H new ATOM 0 HG21 VAL A 66 11.072 2.939 6.639 1.00 24.54 H new ATOM 0 HG22 VAL A 66 12.616 2.491 5.875 1.00 24.54 H new ATOM 0 HG23 VAL A 66 11.076 2.054 5.096 1.00 24.54 H new ATOM 997 N GLU A 67 11.208 -2.340 6.714 1.00 40.44 N ATOM 998 CA GLU A 67 11.039 -3.656 7.371 1.00 45.04 C ATOM 999 C GLU A 67 9.838 -4.407 6.757 1.00 21.40 C ATOM 1000 O GLU A 67 8.861 -3.791 6.342 1.00 62.23 O ATOM 1001 CB GLU A 67 10.829 -3.486 8.908 1.00 42.43 C ATOM 1002 CG GLU A 67 10.601 -4.802 9.693 1.00 71.13 C ATOM 1003 CD GLU A 67 10.361 -4.590 11.200 1.00 14.21 C ATOM 1004 OE1 GLU A 67 9.410 -3.856 11.556 1.00 33.42 O ATOM 1005 OE2 GLU A 67 11.095 -5.173 12.031 1.00 3.44 O ATOM 0 H GLU A 67 10.370 -2.022 6.227 1.00 40.44 H new ATOM 0 HA GLU A 67 11.947 -4.237 7.208 1.00 45.04 H new ATOM 0 HB2 GLU A 67 11.701 -2.980 9.324 1.00 42.43 H new ATOM 0 HB3 GLU A 67 9.973 -2.832 9.071 1.00 42.43 H new ATOM 0 HG2 GLU A 67 9.744 -5.325 9.268 1.00 71.13 H new ATOM 0 HG3 GLU A 67 11.468 -5.449 9.560 1.00 71.13 H new ATOM 1012 N ARG A 68 9.914 -5.745 6.716 1.00 64.20 N ATOM 1013 CA ARG A 68 8.783 -6.596 6.296 1.00 41.01 C ATOM 1014 C ARG A 68 8.468 -7.618 7.410 1.00 50.24 C ATOM 1015 O ARG A 68 9.250 -8.539 7.662 1.00 14.42 O ATOM 1016 CB ARG A 68 9.083 -7.319 4.959 1.00 24.43 C ATOM 1017 CG ARG A 68 7.874 -8.121 4.403 1.00 24.33 C ATOM 1018 CD ARG A 68 8.236 -9.016 3.210 1.00 45.11 C ATOM 1019 NE ARG A 68 9.275 -9.999 3.582 1.00 73.34 N ATOM 1020 CZ ARG A 68 9.132 -11.304 3.619 1.00 53.52 C ATOM 1021 NH1 ARG A 68 7.995 -11.868 3.340 1.00 32.22 N ATOM 1022 NH2 ARG A 68 10.144 -12.038 3.943 1.00 53.01 N ATOM 0 H ARG A 68 10.752 -6.268 6.970 1.00 64.20 H new ATOM 0 HA ARG A 68 7.913 -5.960 6.131 1.00 41.01 H new ATOM 0 HB2 ARG A 68 9.392 -6.582 4.218 1.00 24.43 H new ATOM 0 HB3 ARG A 68 9.924 -7.998 5.103 1.00 24.43 H new ATOM 0 HG2 ARG A 68 7.460 -8.739 5.199 1.00 24.33 H new ATOM 0 HG3 ARG A 68 7.092 -7.424 4.101 1.00 24.33 H new ATOM 0 HD2 ARG A 68 7.346 -9.538 2.859 1.00 45.11 H new ATOM 0 HD3 ARG A 68 8.592 -8.401 2.384 1.00 45.11 H new ATOM 0 HE ARG A 68 10.191 -9.628 3.834 1.00 73.34 H new ATOM 0 HH11 ARG A 68 7.190 -11.295 3.086 1.00 32.22 H new ATOM 0 HH12 ARG A 68 7.907 -12.884 3.375 1.00 32.22 H new ATOM 0 HH21 ARG A 68 11.039 -11.603 4.166 1.00 53.01 H new ATOM 0 HH22 ARG A 68 10.048 -13.053 3.976 1.00 53.01 H new ATOM 1036 N ASP A 69 7.323 -7.424 8.075 1.00 2.34 N ATOM 1037 CA ASP A 69 6.814 -8.322 9.129 1.00 74.12 C ATOM 1038 C ASP A 69 5.789 -9.308 8.506 1.00 52.52 C ATOM 1039 O ASP A 69 4.838 -8.878 7.862 1.00 35.01 O ATOM 1040 CB ASP A 69 6.163 -7.470 10.252 1.00 41.04 C ATOM 1041 CG ASP A 69 5.690 -8.310 11.448 1.00 41.43 C ATOM 1042 OD1 ASP A 69 4.559 -8.822 11.424 1.00 74.22 O ATOM 1043 OD2 ASP A 69 6.465 -8.472 12.416 1.00 40.41 O ATOM 0 H ASP A 69 6.711 -6.627 7.896 1.00 2.34 H new ATOM 0 HA ASP A 69 7.628 -8.901 9.564 1.00 74.12 H new ATOM 0 HB2 ASP A 69 6.881 -6.727 10.599 1.00 41.04 H new ATOM 0 HB3 ASP A 69 5.314 -6.925 9.840 1.00 41.04 H new ATOM 1048 N GLU A 70 5.992 -10.624 8.685 1.00 3.33 N ATOM 1049 CA GLU A 70 5.082 -11.662 8.120 1.00 30.14 C ATOM 1050 C GLU A 70 4.195 -12.314 9.217 1.00 34.43 C ATOM 1051 O GLU A 70 3.171 -12.935 8.907 1.00 33.03 O ATOM 1052 CB GLU A 70 5.927 -12.717 7.342 1.00 4.23 C ATOM 1053 CG GLU A 70 5.108 -13.780 6.572 1.00 43.53 C ATOM 1054 CD GLU A 70 5.909 -14.479 5.456 1.00 31.35 C ATOM 1055 OE1 GLU A 70 6.110 -13.862 4.380 1.00 34.32 O ATOM 1056 OE2 GLU A 70 6.350 -15.632 5.652 1.00 71.54 O ATOM 0 H GLU A 70 6.776 -11.005 9.215 1.00 3.33 H new ATOM 0 HA GLU A 70 4.391 -11.186 7.424 1.00 30.14 H new ATOM 0 HB2 GLU A 70 6.569 -12.194 6.634 1.00 4.23 H new ATOM 0 HB3 GLU A 70 6.581 -13.228 8.049 1.00 4.23 H new ATOM 0 HG2 GLU A 70 4.748 -14.531 7.276 1.00 43.53 H new ATOM 0 HG3 GLU A 70 4.229 -13.305 6.136 1.00 43.53 H new ATOM 1063 N SER A 71 4.574 -12.123 10.500 1.00 32.13 N ATOM 1064 CA SER A 71 3.839 -12.691 11.665 1.00 54.03 C ATOM 1065 C SER A 71 2.422 -12.076 11.811 1.00 3.04 C ATOM 1066 O SER A 71 1.454 -12.780 12.114 1.00 42.44 O ATOM 1067 CB SER A 71 4.650 -12.470 12.966 1.00 14.42 C ATOM 1068 OG SER A 71 5.918 -13.119 12.896 1.00 33.42 O ATOM 0 H SER A 71 5.393 -11.574 10.762 1.00 32.13 H new ATOM 0 HA SER A 71 3.719 -13.760 11.488 1.00 54.03 H new ATOM 0 HB2 SER A 71 4.793 -11.402 13.132 1.00 14.42 H new ATOM 0 HB3 SER A 71 4.088 -12.853 13.818 1.00 14.42 H new ATOM 0 HG SER A 71 6.412 -12.963 13.728 1.00 33.42 H new ATOM 1074 N ALA A 72 2.326 -10.761 11.570 1.00 34.02 N ATOM 1075 CA ALA A 72 1.057 -9.992 11.623 1.00 23.12 C ATOM 1076 C ALA A 72 0.627 -9.515 10.217 1.00 62.14 C ATOM 1077 O ALA A 72 -0.386 -8.817 10.083 1.00 11.14 O ATOM 1078 CB ALA A 72 1.220 -8.789 12.576 1.00 53.41 C ATOM 0 H ALA A 72 3.133 -10.186 11.329 1.00 34.02 H new ATOM 0 HA ALA A 72 0.272 -10.648 12.000 1.00 23.12 H new ATOM 0 HB1 ALA A 72 0.288 -8.226 12.614 1.00 53.41 H new ATOM 0 HB2 ALA A 72 1.468 -9.147 13.575 1.00 53.41 H new ATOM 0 HB3 ALA A 72 2.020 -8.143 12.213 1.00 53.41 H new ATOM 1084 N ARG A 73 1.396 -9.929 9.181 1.00 12.11 N ATOM 1085 CA ARG A 73 1.239 -9.465 7.778 1.00 62.45 C ATOM 1086 C ARG A 73 1.262 -7.918 7.696 1.00 71.15 C ATOM 1087 O ARG A 73 0.271 -7.287 7.342 1.00 12.33 O ATOM 1088 CB ARG A 73 -0.044 -10.047 7.107 1.00 23.20 C ATOM 1089 CG ARG A 73 -0.185 -11.577 7.206 1.00 30.54 C ATOM 1090 CD ARG A 73 -1.385 -12.114 6.398 1.00 24.55 C ATOM 1091 NE ARG A 73 -1.644 -13.540 6.650 1.00 42.34 N ATOM 1092 CZ ARG A 73 -0.932 -14.553 6.199 1.00 70.41 C ATOM 1093 NH1 ARG A 73 0.120 -14.378 5.460 1.00 1.41 N ATOM 1094 NH2 ARG A 73 -1.291 -15.754 6.497 1.00 50.51 N ATOM 0 H ARG A 73 2.153 -10.603 9.296 1.00 12.11 H new ATOM 0 HA ARG A 73 2.092 -9.846 7.217 1.00 62.45 H new ATOM 0 HB2 ARG A 73 -0.918 -9.585 7.565 1.00 23.20 H new ATOM 0 HB3 ARG A 73 -0.048 -9.763 6.055 1.00 23.20 H new ATOM 0 HG2 ARG A 73 0.730 -12.047 6.846 1.00 30.54 H new ATOM 0 HG3 ARG A 73 -0.299 -11.861 8.252 1.00 30.54 H new ATOM 0 HD2 ARG A 73 -2.275 -11.537 6.649 1.00 24.55 H new ATOM 0 HD3 ARG A 73 -1.198 -11.965 5.335 1.00 24.55 H new ATOM 0 HE ARG A 73 -2.452 -13.766 7.229 1.00 42.34 H new ATOM 0 HH11 ARG A 73 0.418 -13.435 5.212 1.00 1.41 H new ATOM 0 HH12 ARG A 73 0.649 -15.184 5.127 1.00 1.41 H new ATOM 0 HH21 ARG A 73 -2.117 -15.911 7.075 1.00 50.51 H new ATOM 0 HH22 ARG A 73 -0.750 -16.548 6.155 1.00 50.51 H new ATOM 1108 N ARG A 74 2.409 -7.339 8.061 1.00 24.42 N ATOM 1109 CA ARG A 74 2.599 -5.878 8.176 1.00 73.50 C ATOM 1110 C ARG A 74 3.860 -5.417 7.396 1.00 52.15 C ATOM 1111 O ARG A 74 4.985 -5.718 7.782 1.00 3.04 O ATOM 1112 CB ARG A 74 2.690 -5.521 9.684 1.00 64.10 C ATOM 1113 CG ARG A 74 3.002 -4.044 9.993 1.00 61.11 C ATOM 1114 CD ARG A 74 2.780 -3.689 11.471 1.00 14.34 C ATOM 1115 NE ARG A 74 1.352 -3.808 11.839 1.00 3.13 N ATOM 1116 CZ ARG A 74 0.871 -4.363 12.929 1.00 34.10 C ATOM 1117 NH1 ARG A 74 1.645 -4.941 13.795 1.00 4.50 N ATOM 1118 NH2 ARG A 74 -0.404 -4.359 13.126 1.00 51.33 N ATOM 0 H ARG A 74 3.247 -7.873 8.290 1.00 24.42 H new ATOM 0 HA ARG A 74 1.754 -5.352 7.731 1.00 73.50 H new ATOM 0 HB2 ARG A 74 1.745 -5.783 10.160 1.00 64.10 H new ATOM 0 HB3 ARG A 74 3.461 -6.142 10.142 1.00 64.10 H new ATOM 0 HG2 ARG A 74 4.037 -3.831 9.724 1.00 61.11 H new ATOM 0 HG3 ARG A 74 2.373 -3.406 9.372 1.00 61.11 H new ATOM 0 HD2 ARG A 74 3.377 -4.349 12.100 1.00 14.34 H new ATOM 0 HD3 ARG A 74 3.124 -2.672 11.659 1.00 14.34 H new ATOM 0 HE ARG A 74 0.674 -3.421 11.182 1.00 3.13 H new ATOM 0 HH11 ARG A 74 2.652 -4.972 13.638 1.00 4.50 H new ATOM 0 HH12 ARG A 74 1.246 -5.364 14.633 1.00 4.50 H new ATOM 0 HH21 ARG A 74 -1.025 -3.929 12.440 1.00 51.33 H new ATOM 0 HH22 ARG A 74 -0.791 -4.786 13.967 1.00 51.33 H new ATOM 1132 N LEU A 75 3.653 -4.669 6.301 1.00 31.14 N ATOM 1133 CA LEU A 75 4.735 -4.259 5.374 1.00 34.24 C ATOM 1134 C LEU A 75 5.110 -2.764 5.583 1.00 62.50 C ATOM 1135 O LEU A 75 4.404 -1.875 5.137 1.00 72.31 O ATOM 1136 CB LEU A 75 4.250 -4.553 3.921 1.00 51.22 C ATOM 1137 CG LEU A 75 5.212 -4.201 2.755 1.00 61.34 C ATOM 1138 CD1 LEU A 75 6.622 -4.753 3.013 1.00 12.33 C ATOM 1139 CD2 LEU A 75 4.645 -4.715 1.407 1.00 34.33 C ATOM 0 H LEU A 75 2.731 -4.328 6.028 1.00 31.14 H new ATOM 0 HA LEU A 75 5.646 -4.824 5.570 1.00 34.24 H new ATOM 0 HB2 LEU A 75 4.016 -5.615 3.854 1.00 51.22 H new ATOM 0 HB3 LEU A 75 3.318 -4.011 3.762 1.00 51.22 H new ATOM 0 HG LEU A 75 5.292 -3.116 2.696 1.00 61.34 H new ATOM 0 HD11 LEU A 75 7.274 -4.491 2.179 1.00 12.33 H new ATOM 0 HD12 LEU A 75 7.018 -4.323 3.933 1.00 12.33 H new ATOM 0 HD13 LEU A 75 6.576 -5.838 3.110 1.00 12.33 H new ATOM 0 HD21 LEU A 75 5.333 -4.459 0.601 1.00 34.33 H new ATOM 0 HD22 LEU A 75 4.525 -5.798 1.452 1.00 34.33 H new ATOM 0 HD23 LEU A 75 3.677 -4.251 1.219 1.00 34.33 H new ATOM 1151 N VAL A 76 6.269 -2.509 6.217 1.00 21.10 N ATOM 1152 CA VAL A 76 6.689 -1.147 6.669 1.00 41.10 C ATOM 1153 C VAL A 76 7.717 -0.513 5.699 1.00 61.01 C ATOM 1154 O VAL A 76 8.783 -1.078 5.457 1.00 24.14 O ATOM 1155 CB VAL A 76 7.303 -1.214 8.117 1.00 52.22 C ATOM 1156 CG1 VAL A 76 7.798 0.175 8.605 1.00 72.13 C ATOM 1157 CG2 VAL A 76 6.289 -1.830 9.111 1.00 65.12 C ATOM 0 H VAL A 76 6.950 -3.236 6.436 1.00 21.10 H new ATOM 0 HA VAL A 76 5.798 -0.519 6.679 1.00 41.10 H new ATOM 0 HB VAL A 76 8.178 -1.863 8.073 1.00 52.22 H new ATOM 0 HG11 VAL A 76 8.214 0.081 9.608 1.00 72.13 H new ATOM 0 HG12 VAL A 76 8.567 0.546 7.927 1.00 72.13 H new ATOM 0 HG13 VAL A 76 6.962 0.874 8.623 1.00 72.13 H new ATOM 0 HG21 VAL A 76 6.732 -1.868 10.106 1.00 65.12 H new ATOM 0 HG22 VAL A 76 5.388 -1.217 9.138 1.00 65.12 H new ATOM 0 HG23 VAL A 76 6.032 -2.839 8.790 1.00 65.12 H new ATOM 1167 N TYR A 77 7.410 0.688 5.184 1.00 54.54 N ATOM 1168 CA TYR A 77 8.248 1.368 4.171 1.00 33.21 C ATOM 1169 C TYR A 77 8.107 2.913 4.220 1.00 70.11 C ATOM 1170 O TYR A 77 7.429 3.472 5.089 1.00 34.40 O ATOM 1171 CB TYR A 77 7.904 0.828 2.754 1.00 74.13 C ATOM 1172 CG TYR A 77 6.498 1.198 2.223 1.00 53.11 C ATOM 1173 CD1 TYR A 77 5.372 0.423 2.523 1.00 44.24 C ATOM 1174 CD2 TYR A 77 6.313 2.311 1.397 1.00 60.44 C ATOM 1175 CE1 TYR A 77 4.124 0.748 2.015 1.00 4.01 C ATOM 1176 CE2 TYR A 77 5.078 2.633 0.887 1.00 23.54 C ATOM 1177 CZ TYR A 77 3.988 1.852 1.193 1.00 23.13 C ATOM 1178 OH TYR A 77 2.760 2.185 0.674 1.00 33.22 O ATOM 0 H TYR A 77 6.580 1.216 5.453 1.00 54.54 H new ATOM 0 HA TYR A 77 9.289 1.144 4.403 1.00 33.21 H new ATOM 0 HB2 TYR A 77 8.649 1.202 2.051 1.00 74.13 H new ATOM 0 HB3 TYR A 77 7.994 -0.258 2.766 1.00 74.13 H new ATOM 0 HD1 TYR A 77 5.477 -0.442 3.161 1.00 44.24 H new ATOM 0 HD2 TYR A 77 7.162 2.933 1.154 1.00 60.44 H new ATOM 0 HE1 TYR A 77 3.263 0.143 2.259 1.00 4.01 H new ATOM 0 HE2 TYR A 77 4.964 3.496 0.248 1.00 23.54 H new ATOM 0 HH TYR A 77 2.846 2.988 0.119 1.00 33.22 H new ATOM 1188 N THR A 78 8.815 3.581 3.293 1.00 12.34 N ATOM 1189 CA THR A 78 8.729 5.042 3.055 1.00 35.51 C ATOM 1190 C THR A 78 9.100 5.371 1.590 1.00 52.42 C ATOM 1191 O THR A 78 9.752 4.573 0.926 1.00 43.33 O ATOM 1192 CB THR A 78 9.682 5.848 4.004 1.00 52.33 C ATOM 1193 OG1 THR A 78 9.588 7.259 3.729 1.00 50.02 O ATOM 1194 CG2 THR A 78 11.151 5.398 3.873 1.00 0.33 C ATOM 0 H THR A 78 9.478 3.116 2.673 1.00 12.34 H new ATOM 0 HA THR A 78 7.700 5.336 3.261 1.00 35.51 H new ATOM 0 HB THR A 78 9.358 5.647 5.025 1.00 52.33 H new ATOM 0 HG1 THR A 78 9.163 7.712 4.487 1.00 50.02 H new ATOM 0 HG21 THR A 78 11.773 5.985 4.549 1.00 0.33 H new ATOM 0 HG22 THR A 78 11.232 4.342 4.130 1.00 0.33 H new ATOM 0 HG23 THR A 78 11.488 5.549 2.847 1.00 0.33 H new ATOM 1202 N MET A 79 8.688 6.550 1.090 1.00 51.41 N ATOM 1203 CA MET A 79 9.131 7.071 -0.231 1.00 55.35 C ATOM 1204 C MET A 79 10.076 8.297 -0.025 1.00 24.42 C ATOM 1205 O MET A 79 9.613 9.389 0.327 1.00 33.51 O ATOM 1206 CB MET A 79 7.908 7.389 -1.155 1.00 52.25 C ATOM 1207 CG MET A 79 6.824 8.305 -0.570 1.00 75.43 C ATOM 1208 SD MET A 79 5.415 8.509 -1.692 1.00 70.05 S ATOM 1209 CE MET A 79 4.284 9.493 -0.708 1.00 13.02 C ATOM 0 H MET A 79 8.043 7.170 1.580 1.00 51.41 H new ATOM 0 HA MET A 79 9.703 6.301 -0.749 1.00 55.35 H new ATOM 0 HB2 MET A 79 8.283 7.846 -2.071 1.00 52.25 H new ATOM 0 HB3 MET A 79 7.441 6.446 -1.438 1.00 52.25 H new ATOM 0 HG2 MET A 79 6.475 7.892 0.376 1.00 75.43 H new ATOM 0 HG3 MET A 79 7.256 9.282 -0.352 1.00 75.43 H new ATOM 0 HE1 MET A 79 3.326 8.978 -0.631 1.00 13.02 H new ATOM 0 HE2 MET A 79 4.700 9.637 0.289 1.00 13.02 H new ATOM 0 HE3 MET A 79 4.137 10.463 -1.183 1.00 13.02 H new ATOM 1219 N PRO A 80 11.440 8.112 -0.187 1.00 34.25 N ATOM 1220 CA PRO A 80 12.448 9.202 0.000 1.00 63.25 C ATOM 1221 C PRO A 80 12.285 10.379 -0.994 1.00 23.33 C ATOM 1222 O PRO A 80 12.629 11.525 -0.677 1.00 73.43 O ATOM 1223 CB PRO A 80 13.810 8.474 -0.209 1.00 40.03 C ATOM 1224 CG PRO A 80 13.466 7.265 -1.023 1.00 73.14 C ATOM 1225 CD PRO A 80 12.110 6.826 -0.524 1.00 40.41 C ATOM 0 HA PRO A 80 12.345 9.675 0.977 1.00 63.25 H new ATOM 0 HB2 PRO A 80 14.526 9.112 -0.728 1.00 40.03 H new ATOM 0 HB3 PRO A 80 14.262 8.196 0.743 1.00 40.03 H new ATOM 0 HG2 PRO A 80 13.437 7.501 -2.087 1.00 73.14 H new ATOM 0 HG3 PRO A 80 14.208 6.477 -0.892 1.00 73.14 H new ATOM 0 HD2 PRO A 80 11.560 6.273 -1.285 1.00 40.41 H new ATOM 0 HD3 PRO A 80 12.192 6.175 0.346 1.00 40.41 H new ATOM 1233 N ASP A 81 11.763 10.087 -2.205 1.00 54.31 N ATOM 1234 CA ASP A 81 11.488 11.115 -3.233 1.00 32.32 C ATOM 1235 C ASP A 81 9.990 11.081 -3.657 1.00 33.05 C ATOM 1236 O ASP A 81 9.633 10.400 -4.631 1.00 32.43 O ATOM 1237 CB ASP A 81 12.423 10.917 -4.453 1.00 12.21 C ATOM 1238 CG ASP A 81 13.917 10.960 -4.080 1.00 42.24 C ATOM 1239 OD1 ASP A 81 14.481 12.070 -3.969 1.00 53.04 O ATOM 1240 OD2 ASP A 81 14.535 9.889 -3.887 1.00 4.23 O ATOM 0 H ASP A 81 11.522 9.140 -2.496 1.00 54.31 H new ATOM 0 HA ASP A 81 11.689 12.098 -2.808 1.00 32.32 H new ATOM 0 HB2 ASP A 81 12.199 9.960 -4.924 1.00 12.21 H new ATOM 0 HB3 ASP A 81 12.216 11.691 -5.192 1.00 12.21 H new ATOM 1245 N PRO A 82 9.080 11.762 -2.879 1.00 13.10 N ATOM 1246 CA PRO A 82 7.652 11.914 -3.247 1.00 50.20 C ATOM 1247 C PRO A 82 7.372 13.181 -4.124 1.00 22.24 C ATOM 1248 O PRO A 82 8.045 14.208 -3.968 1.00 11.22 O ATOM 1249 CB PRO A 82 6.982 12.034 -1.859 1.00 54.01 C ATOM 1250 CG PRO A 82 7.986 12.781 -1.023 1.00 2.51 C ATOM 1251 CD PRO A 82 9.358 12.388 -1.553 1.00 75.12 C ATOM 0 HA PRO A 82 7.284 11.092 -3.861 1.00 50.20 H new ATOM 0 HB2 PRO A 82 6.036 12.572 -1.919 1.00 54.01 H new ATOM 0 HB3 PRO A 82 6.764 11.053 -1.437 1.00 54.01 H new ATOM 0 HG2 PRO A 82 7.833 13.857 -1.100 1.00 2.51 H new ATOM 0 HG3 PRO A 82 7.886 12.520 0.031 1.00 2.51 H new ATOM 0 HD2 PRO A 82 10.009 13.257 -1.653 1.00 75.12 H new ATOM 0 HD3 PRO A 82 9.858 11.690 -0.881 1.00 75.12 H new ATOM 1259 N PRO A 83 6.374 13.131 -5.069 1.00 43.50 N ATOM 1260 CA PRO A 83 5.932 14.333 -5.832 1.00 30.24 C ATOM 1261 C PRO A 83 4.923 15.215 -5.033 1.00 32.52 C ATOM 1262 O PRO A 83 4.455 16.247 -5.528 1.00 51.12 O ATOM 1263 CB PRO A 83 5.282 13.705 -7.084 1.00 61.00 C ATOM 1264 CG PRO A 83 4.682 12.423 -6.582 1.00 75.02 C ATOM 1265 CD PRO A 83 5.626 11.912 -5.503 1.00 73.21 C ATOM 0 HA PRO A 83 6.749 15.019 -6.058 1.00 30.24 H new ATOM 0 HB2 PRO A 83 4.522 14.361 -7.510 1.00 61.00 H new ATOM 0 HB3 PRO A 83 6.019 13.521 -7.866 1.00 61.00 H new ATOM 0 HG2 PRO A 83 3.683 12.591 -6.179 1.00 75.02 H new ATOM 0 HG3 PRO A 83 4.582 11.697 -7.389 1.00 75.02 H new ATOM 0 HD2 PRO A 83 5.079 11.463 -4.674 1.00 73.21 H new ATOM 0 HD3 PRO A 83 6.299 11.148 -5.891 1.00 73.21 H new ATOM 1273 N PHE A 84 4.602 14.781 -3.797 1.00 61.31 N ATOM 1274 CA PHE A 84 3.665 15.478 -2.888 1.00 54.33 C ATOM 1275 C PHE A 84 4.447 16.312 -1.833 1.00 33.20 C ATOM 1276 O PHE A 84 5.497 15.858 -1.358 1.00 42.34 O ATOM 1277 CB PHE A 84 2.757 14.431 -2.189 1.00 41.31 C ATOM 1278 CG PHE A 84 2.015 13.511 -3.165 1.00 41.21 C ATOM 1279 CD1 PHE A 84 0.938 13.987 -3.915 1.00 24.43 C ATOM 1280 CD2 PHE A 84 2.398 12.179 -3.342 1.00 61.11 C ATOM 1281 CE1 PHE A 84 0.271 13.165 -4.805 1.00 12.13 C ATOM 1282 CE2 PHE A 84 1.728 11.357 -4.234 1.00 74.31 C ATOM 1283 CZ PHE A 84 0.664 11.852 -4.964 1.00 11.52 C ATOM 0 H PHE A 84 4.990 13.927 -3.396 1.00 61.31 H new ATOM 0 HA PHE A 84 3.045 16.163 -3.466 1.00 54.33 H new ATOM 0 HB2 PHE A 84 3.367 13.822 -1.521 1.00 41.31 H new ATOM 0 HB3 PHE A 84 2.028 14.952 -1.568 1.00 41.31 H new ATOM 0 HD1 PHE A 84 0.621 15.013 -3.798 1.00 24.43 H new ATOM 0 HD2 PHE A 84 3.228 11.784 -2.775 1.00 61.11 H new ATOM 0 HE1 PHE A 84 -0.559 13.552 -5.377 1.00 12.13 H new ATOM 0 HE2 PHE A 84 2.037 10.330 -4.359 1.00 74.31 H new ATOM 0 HZ PHE A 84 0.141 11.212 -5.658 1.00 11.52 H new ATOM 1293 N PRO A 85 3.960 17.548 -1.454 1.00 45.25 N ATOM 1294 CA PRO A 85 4.628 18.394 -0.427 1.00 20.22 C ATOM 1295 C PRO A 85 4.488 17.828 1.020 1.00 2.24 C ATOM 1296 O PRO A 85 3.590 18.210 1.787 1.00 43.44 O ATOM 1297 CB PRO A 85 3.936 19.776 -0.599 1.00 32.10 C ATOM 1298 CG PRO A 85 2.574 19.447 -1.135 1.00 73.14 C ATOM 1299 CD PRO A 85 2.750 18.223 -2.012 1.00 20.41 C ATOM 0 HA PRO A 85 5.708 18.441 -0.567 1.00 20.22 H new ATOM 0 HB2 PRO A 85 3.872 20.309 0.350 1.00 32.10 H new ATOM 0 HB3 PRO A 85 4.490 20.415 -1.287 1.00 32.10 H new ATOM 0 HG2 PRO A 85 1.874 19.247 -0.324 1.00 73.14 H new ATOM 0 HG3 PRO A 85 2.169 20.281 -1.708 1.00 73.14 H new ATOM 0 HD2 PRO A 85 1.876 17.573 -1.970 1.00 20.41 H new ATOM 0 HD3 PRO A 85 2.893 18.498 -3.057 1.00 20.41 H new ATOM 1307 N ILE A 86 5.370 16.857 1.349 1.00 72.51 N ATOM 1308 CA ILE A 86 5.448 16.210 2.685 1.00 53.51 C ATOM 1309 C ILE A 86 6.929 16.150 3.163 1.00 42.22 C ATOM 1310 O ILE A 86 7.847 16.106 2.337 1.00 72.14 O ATOM 1311 CB ILE A 86 4.827 14.754 2.664 1.00 73.44 C ATOM 1312 CG1 ILE A 86 5.623 13.802 1.711 1.00 74.11 C ATOM 1313 CG2 ILE A 86 3.331 14.797 2.269 1.00 2.34 C ATOM 1314 CD1 ILE A 86 5.087 12.380 1.618 1.00 63.33 C ATOM 0 H ILE A 86 6.057 16.494 0.688 1.00 72.51 H new ATOM 0 HA ILE A 86 4.865 16.812 3.382 1.00 53.51 H new ATOM 0 HB ILE A 86 4.905 14.352 3.674 1.00 73.44 H new ATOM 0 HG12 ILE A 86 5.629 14.237 0.712 1.00 74.11 H new ATOM 0 HG13 ILE A 86 6.659 13.761 2.047 1.00 74.11 H new ATOM 0 HG21 ILE A 86 2.927 13.785 2.262 1.00 2.34 H new ATOM 0 HG22 ILE A 86 2.781 15.402 2.990 1.00 2.34 H new ATOM 0 HG23 ILE A 86 3.229 15.235 1.276 1.00 2.34 H new ATOM 0 HD11 ILE A 86 5.707 11.801 0.933 1.00 63.33 H new ATOM 0 HD12 ILE A 86 5.108 11.918 2.605 1.00 63.33 H new ATOM 0 HD13 ILE A 86 4.062 12.401 1.249 1.00 63.33 H new ATOM 1326 N THR A 87 7.154 16.156 4.494 1.00 44.44 N ATOM 1327 CA THR A 87 8.527 16.126 5.075 1.00 63.32 C ATOM 1328 C THR A 87 8.990 14.668 5.345 1.00 14.43 C ATOM 1329 O THR A 87 9.653 14.060 4.499 1.00 74.35 O ATOM 1330 CB THR A 87 8.618 16.992 6.382 1.00 13.32 C ATOM 1331 OG1 THR A 87 8.062 18.298 6.155 1.00 3.45 O ATOM 1332 CG2 THR A 87 10.068 17.140 6.892 1.00 72.30 C ATOM 0 H THR A 87 6.409 16.181 5.191 1.00 44.44 H new ATOM 0 HA THR A 87 9.201 16.564 4.339 1.00 63.32 H new ATOM 0 HB THR A 87 8.045 16.467 7.147 1.00 13.32 H new ATOM 0 HG1 THR A 87 7.509 18.556 6.922 1.00 3.45 H new ATOM 0 HG21 THR A 87 10.075 17.747 7.797 1.00 72.30 H new ATOM 0 HG22 THR A 87 10.478 16.155 7.113 1.00 72.30 H new ATOM 0 HG23 THR A 87 10.675 17.623 6.126 1.00 72.30 H new ATOM 1340 N ASN A 88 8.629 14.097 6.517 1.00 12.31 N ATOM 1341 CA ASN A 88 8.971 12.696 6.864 1.00 52.31 C ATOM 1342 C ASN A 88 7.770 11.765 6.587 1.00 14.31 C ATOM 1343 O ASN A 88 6.726 11.872 7.228 1.00 23.33 O ATOM 1344 CB ASN A 88 9.467 12.578 8.338 1.00 15.43 C ATOM 1345 CG ASN A 88 8.579 13.284 9.365 1.00 52.44 C ATOM 1346 OD1 ASN A 88 8.798 14.448 9.687 1.00 22.22 O ATOM 1347 ND2 ASN A 88 7.563 12.610 9.877 1.00 61.51 N ATOM 0 H ASN A 88 8.100 14.585 7.240 1.00 12.31 H new ATOM 0 HA ASN A 88 9.797 12.378 6.228 1.00 52.31 H new ATOM 0 HB2 ASN A 88 9.537 11.523 8.601 1.00 15.43 H new ATOM 0 HB3 ASN A 88 10.474 12.990 8.403 1.00 15.43 H new ATOM 0 HD21 ASN A 88 6.944 13.057 10.553 1.00 61.51 H new ATOM 0 HD22 ASN A 88 7.399 11.643 9.596 1.00 61.51 H new ATOM 1354 N HIS A 89 7.923 10.892 5.581 1.00 1.15 N ATOM 1355 CA HIS A 89 6.902 9.885 5.207 1.00 31.41 C ATOM 1356 C HIS A 89 7.141 8.526 5.925 1.00 74.43 C ATOM 1357 O HIS A 89 8.280 8.113 6.141 1.00 53.42 O ATOM 1358 CB HIS A 89 6.911 9.694 3.668 1.00 30.54 C ATOM 1359 CG HIS A 89 5.920 8.672 3.162 1.00 73.42 C ATOM 1360 ND1 HIS A 89 6.326 7.422 2.766 1.00 34.13 N ATOM 1361 CD2 HIS A 89 4.574 8.760 3.018 1.00 10.30 C ATOM 1362 CE1 HIS A 89 5.235 6.784 2.396 1.00 41.15 C ATOM 1363 NE2 HIS A 89 4.149 7.553 2.531 1.00 70.51 N ATOM 0 H HIS A 89 8.759 10.859 4.998 1.00 1.15 H new ATOM 0 HA HIS A 89 5.926 10.250 5.527 1.00 31.41 H new ATOM 0 HB2 HIS A 89 6.701 10.653 3.194 1.00 30.54 H new ATOM 0 HB3 HIS A 89 7.912 9.397 3.356 1.00 30.54 H new ATOM 0 HD2 HIS A 89 3.957 9.617 3.244 1.00 10.30 H new ATOM 0 HE1 HIS A 89 5.219 5.768 2.030 1.00 41.15 H new ATOM 0 HE2 HIS A 89 3.188 7.290 2.313 1.00 70.51 H new ATOM 1371 N ARG A 90 6.037 7.857 6.294 1.00 50.23 N ATOM 1372 CA ARG A 90 6.029 6.465 6.792 1.00 22.00 C ATOM 1373 C ARG A 90 4.704 5.792 6.374 1.00 53.30 C ATOM 1374 O ARG A 90 3.643 6.233 6.783 1.00 72.15 O ATOM 1375 CB ARG A 90 6.164 6.439 8.343 1.00 23.41 C ATOM 1376 CG ARG A 90 6.142 5.021 8.982 1.00 12.32 C ATOM 1377 CD ARG A 90 7.375 4.173 8.610 1.00 25.34 C ATOM 1378 NE ARG A 90 8.617 4.768 9.141 1.00 11.30 N ATOM 1379 CZ ARG A 90 9.736 4.952 8.479 1.00 24.32 C ATOM 1380 NH1 ARG A 90 9.832 4.667 7.218 1.00 31.44 N ATOM 1381 NH2 ARG A 90 10.750 5.459 9.087 1.00 22.32 N ATOM 0 H ARG A 90 5.106 8.273 6.255 1.00 50.23 H new ATOM 0 HA ARG A 90 6.874 5.926 6.364 1.00 22.00 H new ATOM 0 HB2 ARG A 90 7.096 6.931 8.620 1.00 23.41 H new ATOM 0 HB3 ARG A 90 5.353 7.027 8.773 1.00 23.41 H new ATOM 0 HG2 ARG A 90 6.088 5.118 10.066 1.00 12.32 H new ATOM 0 HG3 ARG A 90 5.240 4.499 8.664 1.00 12.32 H new ATOM 0 HD2 ARG A 90 7.256 3.163 9.003 1.00 25.34 H new ATOM 0 HD3 ARG A 90 7.446 4.087 7.526 1.00 25.34 H new ATOM 0 HE ARG A 90 8.605 5.065 10.117 1.00 11.30 H new ATOM 0 HH11 ARG A 90 9.027 4.291 6.717 1.00 31.44 H new ATOM 0 HH12 ARG A 90 10.713 4.819 6.726 1.00 31.44 H new ATOM 0 HH21 ARG A 90 10.679 5.713 10.072 1.00 22.32 H new ATOM 0 HH22 ARG A 90 11.625 5.607 8.584 1.00 22.32 H new ATOM 1395 N ALA A 91 4.764 4.740 5.548 1.00 22.05 N ATOM 1396 CA ALA A 91 3.559 3.985 5.117 1.00 43.23 C ATOM 1397 C ALA A 91 3.702 2.480 5.418 1.00 43.25 C ATOM 1398 O ALA A 91 4.801 1.937 5.399 1.00 14.41 O ATOM 1399 CB ALA A 91 3.287 4.222 3.630 1.00 21.42 C ATOM 0 H ALA A 91 5.636 4.383 5.157 1.00 22.05 H new ATOM 0 HA ALA A 91 2.707 4.353 5.688 1.00 43.23 H new ATOM 0 HB1 ALA A 91 2.401 3.663 3.328 1.00 21.42 H new ATOM 0 HB2 ALA A 91 3.122 5.285 3.455 1.00 21.42 H new ATOM 0 HB3 ALA A 91 4.144 3.887 3.045 1.00 21.42 H new ATOM 1405 N VAL A 92 2.567 1.824 5.707 1.00 71.35 N ATOM 1406 CA VAL A 92 2.496 0.388 6.067 1.00 71.31 C ATOM 1407 C VAL A 92 1.333 -0.306 5.299 1.00 71.10 C ATOM 1408 O VAL A 92 0.232 0.224 5.231 1.00 51.32 O ATOM 1409 CB VAL A 92 2.289 0.212 7.625 1.00 33.52 C ATOM 1410 CG1 VAL A 92 2.086 -1.266 8.016 1.00 54.05 C ATOM 1411 CG2 VAL A 92 3.459 0.831 8.438 1.00 20.12 C ATOM 0 H VAL A 92 1.654 2.279 5.699 1.00 71.35 H new ATOM 0 HA VAL A 92 3.439 -0.080 5.784 1.00 71.31 H new ATOM 0 HB VAL A 92 1.378 0.755 7.877 1.00 33.52 H new ATOM 0 HG11 VAL A 92 1.948 -1.341 9.095 1.00 54.05 H new ATOM 0 HG12 VAL A 92 1.205 -1.659 7.509 1.00 54.05 H new ATOM 0 HG13 VAL A 92 2.962 -1.844 7.721 1.00 54.05 H new ATOM 0 HG21 VAL A 92 3.277 0.688 9.503 1.00 20.12 H new ATOM 0 HG22 VAL A 92 4.393 0.343 8.161 1.00 20.12 H new ATOM 0 HG23 VAL A 92 3.529 1.897 8.221 1.00 20.12 H new ATOM 1421 N LEU A 93 1.594 -1.510 4.755 1.00 10.21 N ATOM 1422 CA LEU A 93 0.612 -2.303 3.983 1.00 70.44 C ATOM 1423 C LEU A 93 0.326 -3.647 4.705 1.00 32.23 C ATOM 1424 O LEU A 93 1.180 -4.527 4.771 1.00 12.33 O ATOM 1425 CB LEU A 93 1.140 -2.520 2.534 1.00 41.13 C ATOM 1426 CG LEU A 93 0.253 -3.393 1.586 1.00 23.44 C ATOM 1427 CD1 LEU A 93 -1.225 -2.957 1.612 1.00 71.15 C ATOM 1428 CD2 LEU A 93 0.797 -3.357 0.143 1.00 72.20 C ATOM 0 H LEU A 93 2.502 -1.966 4.839 1.00 10.21 H new ATOM 0 HA LEU A 93 -0.332 -1.762 3.918 1.00 70.44 H new ATOM 0 HB2 LEU A 93 1.273 -1.542 2.071 1.00 41.13 H new ATOM 0 HB3 LEU A 93 2.126 -2.980 2.597 1.00 41.13 H new ATOM 0 HG LEU A 93 0.300 -4.417 1.956 1.00 23.44 H new ATOM 0 HD11 LEU A 93 -1.803 -3.591 0.939 1.00 71.15 H new ATOM 0 HD12 LEU A 93 -1.615 -3.053 2.625 1.00 71.15 H new ATOM 0 HD13 LEU A 93 -1.304 -1.919 1.290 1.00 71.15 H new ATOM 0 HD21 LEU A 93 0.165 -3.971 -0.499 1.00 72.20 H new ATOM 0 HD22 LEU A 93 0.795 -2.330 -0.221 1.00 72.20 H new ATOM 0 HD23 LEU A 93 1.815 -3.745 0.128 1.00 72.20 H new ATOM 1440 N GLU A 94 -0.900 -3.786 5.234 1.00 5.23 N ATOM 1441 CA GLU A 94 -1.319 -4.923 6.093 1.00 72.23 C ATOM 1442 C GLU A 94 -2.416 -5.772 5.417 1.00 71.24 C ATOM 1443 O GLU A 94 -3.103 -5.298 4.511 1.00 4.13 O ATOM 1444 CB GLU A 94 -1.829 -4.363 7.455 1.00 74.52 C ATOM 1445 CG GLU A 94 -0.759 -3.586 8.244 1.00 43.40 C ATOM 1446 CD GLU A 94 -1.312 -2.850 9.477 1.00 71.32 C ATOM 1447 OE1 GLU A 94 -1.458 -3.480 10.547 1.00 60.02 O ATOM 1448 OE2 GLU A 94 -1.590 -1.632 9.381 1.00 42.30 O ATOM 0 H GLU A 94 -1.644 -3.106 5.079 1.00 5.23 H new ATOM 0 HA GLU A 94 -0.461 -5.575 6.255 1.00 72.23 H new ATOM 0 HB2 GLU A 94 -2.681 -3.708 7.272 1.00 74.52 H new ATOM 0 HB3 GLU A 94 -2.189 -5.191 8.066 1.00 74.52 H new ATOM 0 HG2 GLU A 94 0.018 -4.280 8.564 1.00 43.40 H new ATOM 0 HG3 GLU A 94 -0.286 -2.861 7.581 1.00 43.40 H new ATOM 1455 N VAL A 95 -2.557 -7.048 5.846 1.00 22.34 N ATOM 1456 CA VAL A 95 -3.679 -7.931 5.427 1.00 63.51 C ATOM 1457 C VAL A 95 -4.287 -8.636 6.678 1.00 10.02 C ATOM 1458 O VAL A 95 -3.648 -9.496 7.292 1.00 31.42 O ATOM 1459 CB VAL A 95 -3.239 -9.027 4.369 1.00 13.03 C ATOM 1460 CG1 VAL A 95 -4.465 -9.827 3.855 1.00 22.31 C ATOM 1461 CG2 VAL A 95 -2.456 -8.412 3.181 1.00 42.44 C ATOM 0 H VAL A 95 -1.903 -7.495 6.488 1.00 22.34 H new ATOM 0 HA VAL A 95 -4.421 -7.295 4.945 1.00 63.51 H new ATOM 0 HB VAL A 95 -2.566 -9.712 4.884 1.00 13.03 H new ATOM 0 HG11 VAL A 95 -4.136 -10.572 3.131 1.00 22.31 H new ATOM 0 HG12 VAL A 95 -4.951 -10.326 4.693 1.00 22.31 H new ATOM 0 HG13 VAL A 95 -5.171 -9.146 3.379 1.00 22.31 H new ATOM 0 HG21 VAL A 95 -2.176 -9.201 2.483 1.00 42.44 H new ATOM 0 HG22 VAL A 95 -3.084 -7.682 2.671 1.00 42.44 H new ATOM 0 HG23 VAL A 95 -1.557 -7.921 3.553 1.00 42.44 H new ATOM 1471 N VAL A 96 -5.526 -8.257 7.035 1.00 34.11 N ATOM 1472 CA VAL A 96 -6.271 -8.791 8.204 1.00 53.50 C ATOM 1473 C VAL A 96 -7.349 -9.825 7.745 1.00 54.43 C ATOM 1474 O VAL A 96 -8.267 -9.458 7.004 1.00 12.22 O ATOM 1475 CB VAL A 96 -6.968 -7.613 8.993 1.00 64.40 C ATOM 1476 CG1 VAL A 96 -7.740 -8.122 10.242 1.00 74.14 C ATOM 1477 CG2 VAL A 96 -5.941 -6.513 9.377 1.00 11.04 C ATOM 0 H VAL A 96 -6.054 -7.557 6.513 1.00 34.11 H new ATOM 0 HA VAL A 96 -5.560 -9.292 8.861 1.00 53.50 H new ATOM 0 HB VAL A 96 -7.704 -7.169 8.323 1.00 64.40 H new ATOM 0 HG11 VAL A 96 -8.203 -7.278 10.753 1.00 74.14 H new ATOM 0 HG12 VAL A 96 -8.512 -8.825 9.931 1.00 74.14 H new ATOM 0 HG13 VAL A 96 -7.047 -8.621 10.920 1.00 74.14 H new ATOM 0 HG21 VAL A 96 -6.448 -5.715 9.919 1.00 11.04 H new ATOM 0 HG22 VAL A 96 -5.165 -6.945 10.009 1.00 11.04 H new ATOM 0 HG23 VAL A 96 -5.488 -6.107 8.473 1.00 11.04 H new ATOM 1487 N PRO A 97 -7.257 -11.131 8.167 1.00 12.41 N ATOM 1488 CA PRO A 97 -8.251 -12.178 7.778 1.00 12.40 C ATOM 1489 C PRO A 97 -9.654 -11.994 8.437 1.00 11.03 C ATOM 1490 O PRO A 97 -9.768 -11.726 9.641 1.00 4.44 O ATOM 1491 CB PRO A 97 -7.569 -13.493 8.242 1.00 63.11 C ATOM 1492 CG PRO A 97 -6.686 -13.078 9.382 1.00 43.05 C ATOM 1493 CD PRO A 97 -6.179 -11.694 9.030 1.00 3.12 C ATOM 0 HA PRO A 97 -8.474 -12.146 6.712 1.00 12.40 H new ATOM 0 HB2 PRO A 97 -8.306 -14.231 8.559 1.00 63.11 H new ATOM 0 HB3 PRO A 97 -6.991 -13.945 7.437 1.00 63.11 H new ATOM 0 HG2 PRO A 97 -7.240 -13.064 10.321 1.00 43.05 H new ATOM 0 HG3 PRO A 97 -5.859 -13.776 9.510 1.00 43.05 H new ATOM 0 HD2 PRO A 97 -6.022 -11.087 9.921 1.00 3.12 H new ATOM 0 HD3 PRO A 97 -5.226 -11.739 8.502 1.00 3.12 H new ATOM 1501 N ARG A 98 -10.713 -12.115 7.608 1.00 12.32 N ATOM 1502 CA ARG A 98 -12.138 -12.098 8.052 1.00 33.11 C ATOM 1503 C ARG A 98 -12.727 -13.533 8.008 1.00 64.12 C ATOM 1504 O ARG A 98 -13.236 -14.052 9.007 1.00 44.10 O ATOM 1505 CB ARG A 98 -12.980 -11.137 7.141 1.00 15.04 C ATOM 1506 CG ARG A 98 -13.061 -9.655 7.590 1.00 61.01 C ATOM 1507 CD ARG A 98 -11.696 -8.984 7.824 1.00 54.45 C ATOM 1508 NE ARG A 98 -11.834 -7.525 8.026 1.00 55.42 N ATOM 1509 CZ ARG A 98 -11.484 -6.852 9.101 1.00 10.33 C ATOM 1510 NH1 ARG A 98 -11.049 -7.448 10.169 1.00 53.25 N ATOM 1511 NH2 ARG A 98 -11.588 -5.563 9.108 1.00 52.04 N ATOM 0 H ARG A 98 -10.610 -12.229 6.600 1.00 12.32 H new ATOM 0 HA ARG A 98 -12.182 -11.732 9.078 1.00 33.11 H new ATOM 0 HB2 ARG A 98 -12.562 -11.167 6.135 1.00 15.04 H new ATOM 0 HB3 ARG A 98 -13.995 -11.530 7.076 1.00 15.04 H new ATOM 0 HG2 ARG A 98 -13.605 -9.089 6.834 1.00 61.01 H new ATOM 0 HG3 ARG A 98 -13.642 -9.599 8.510 1.00 61.01 H new ATOM 0 HD2 ARG A 98 -11.216 -9.429 8.696 1.00 54.45 H new ATOM 0 HD3 ARG A 98 -11.045 -9.174 6.970 1.00 54.45 H new ATOM 0 HE ARG A 98 -12.239 -6.989 7.258 1.00 55.42 H new ATOM 0 HH11 ARG A 98 -10.971 -8.465 10.190 1.00 53.25 H new ATOM 0 HH12 ARG A 98 -10.785 -6.899 10.987 1.00 53.25 H new ATOM 0 HH21 ARG A 98 -11.939 -5.075 8.284 1.00 52.04 H new ATOM 0 HH22 ARG A 98 -11.319 -5.034 9.938 1.00 52.04 H new ATOM 1525 N ASP A 99 -12.637 -14.150 6.822 1.00 11.25 N ATOM 1526 CA ASP A 99 -13.144 -15.511 6.535 1.00 22.13 C ATOM 1527 C ASP A 99 -12.002 -16.381 5.934 1.00 3.21 C ATOM 1528 O ASP A 99 -10.932 -15.863 5.603 1.00 30.54 O ATOM 1529 CB ASP A 99 -14.369 -15.382 5.574 1.00 70.23 C ATOM 1530 CG ASP A 99 -14.899 -16.715 5.023 1.00 32.33 C ATOM 1531 OD1 ASP A 99 -15.369 -17.552 5.814 1.00 5.04 O ATOM 1532 OD2 ASP A 99 -14.798 -16.950 3.796 1.00 33.54 O ATOM 0 H ASP A 99 -12.200 -13.711 6.012 1.00 11.25 H new ATOM 0 HA ASP A 99 -13.474 -16.011 7.446 1.00 22.13 H new ATOM 0 HB2 ASP A 99 -15.177 -14.877 6.104 1.00 70.23 H new ATOM 0 HB3 ASP A 99 -14.090 -14.744 4.736 1.00 70.23 H new ATOM 1537 N ASP A 100 -12.225 -17.705 5.822 1.00 2.01 N ATOM 1538 CA ASP A 100 -11.262 -18.651 5.203 1.00 34.32 C ATOM 1539 C ASP A 100 -10.914 -18.256 3.748 1.00 52.02 C ATOM 1540 O ASP A 100 -9.756 -18.328 3.341 1.00 51.14 O ATOM 1541 CB ASP A 100 -11.840 -20.080 5.225 1.00 70.52 C ATOM 1542 CG ASP A 100 -12.222 -20.539 6.637 1.00 64.52 C ATOM 1543 OD1 ASP A 100 -11.330 -20.981 7.400 1.00 40.31 O ATOM 1544 OD2 ASP A 100 -13.415 -20.443 6.999 1.00 40.02 O ATOM 0 H ASP A 100 -13.077 -18.154 6.157 1.00 2.01 H new ATOM 0 HA ASP A 100 -10.344 -18.611 5.789 1.00 34.32 H new ATOM 0 HB2 ASP A 100 -12.720 -20.122 4.583 1.00 70.52 H new ATOM 0 HB3 ASP A 100 -11.107 -20.771 4.808 1.00 70.52 H new ATOM 1549 N ARG A 101 -11.934 -17.831 2.983 1.00 52.22 N ATOM 1550 CA ARG A 101 -11.779 -17.445 1.565 1.00 62.32 C ATOM 1551 C ARG A 101 -11.853 -15.895 1.382 1.00 61.43 C ATOM 1552 O ARG A 101 -11.924 -15.399 0.256 1.00 72.24 O ATOM 1553 CB ARG A 101 -12.890 -18.143 0.717 1.00 61.22 C ATOM 1554 CG ARG A 101 -12.623 -18.157 -0.809 1.00 12.33 C ATOM 1555 CD ARG A 101 -13.868 -18.484 -1.654 1.00 52.43 C ATOM 1556 NE ARG A 101 -14.354 -19.863 -1.470 1.00 4.43 N ATOM 1557 CZ ARG A 101 -15.401 -20.380 -2.087 1.00 75.24 C ATOM 1558 NH1 ARG A 101 -16.132 -19.669 -2.895 1.00 70.32 N ATOM 1559 NH2 ARG A 101 -15.716 -21.614 -1.881 1.00 53.22 N ATOM 0 H ARG A 101 -12.890 -17.744 3.328 1.00 52.22 H new ATOM 0 HA ARG A 101 -10.796 -17.768 1.224 1.00 62.32 H new ATOM 0 HB2 ARG A 101 -13.001 -19.171 1.063 1.00 61.22 H new ATOM 0 HB3 ARG A 101 -13.839 -17.641 0.902 1.00 61.22 H new ATOM 0 HG2 ARG A 101 -12.237 -17.183 -1.110 1.00 12.33 H new ATOM 0 HG3 ARG A 101 -11.845 -18.889 -1.026 1.00 12.33 H new ATOM 0 HD2 ARG A 101 -14.666 -17.788 -1.396 1.00 52.43 H new ATOM 0 HD3 ARG A 101 -13.635 -18.326 -2.707 1.00 52.43 H new ATOM 0 HE ARG A 101 -13.845 -20.461 -0.819 1.00 4.43 H new ATOM 0 HH11 ARG A 101 -15.901 -18.690 -3.063 1.00 70.32 H new ATOM 0 HH12 ARG A 101 -16.936 -20.091 -3.360 1.00 70.32 H new ATOM 0 HH21 ARG A 101 -15.158 -22.184 -1.245 1.00 53.22 H new ATOM 0 HH22 ARG A 101 -16.523 -22.020 -2.354 1.00 53.22 H new ATOM 1573 N HIS A 102 -11.832 -15.119 2.485 1.00 64.31 N ATOM 1574 CA HIS A 102 -11.958 -13.633 2.420 1.00 42.23 C ATOM 1575 C HIS A 102 -11.006 -12.936 3.417 1.00 21.40 C ATOM 1576 O HIS A 102 -10.844 -13.369 4.554 1.00 3.52 O ATOM 1577 CB HIS A 102 -13.422 -13.184 2.677 1.00 12.11 C ATOM 1578 CG HIS A 102 -14.407 -13.660 1.641 1.00 31.01 C ATOM 1579 ND1 HIS A 102 -15.223 -14.755 1.815 1.00 3.00 N ATOM 1580 CD2 HIS A 102 -14.686 -13.187 0.403 1.00 42.10 C ATOM 1581 CE1 HIS A 102 -15.953 -14.938 0.734 1.00 50.02 C ATOM 1582 NE2 HIS A 102 -15.647 -14.002 -0.136 1.00 31.52 N ATOM 0 H HIS A 102 -11.730 -15.486 3.431 1.00 64.31 H new ATOM 0 HA HIS A 102 -11.672 -13.332 1.412 1.00 42.23 H new ATOM 0 HB2 HIS A 102 -13.736 -13.550 3.655 1.00 12.11 H new ATOM 0 HB3 HIS A 102 -13.454 -12.095 2.719 1.00 12.11 H new ATOM 0 HD1 HIS A 102 -15.257 -15.336 2.653 1.00 3.00 H new ATOM 0 HD2 HIS A 102 -14.235 -12.328 -0.071 1.00 42.10 H new ATOM 0 HE1 HIS A 102 -16.679 -15.724 0.588 1.00 50.02 H new ATOM 1591 N CYS A 103 -10.404 -11.825 2.981 1.00 10.22 N ATOM 1592 CA CYS A 103 -9.474 -11.023 3.811 1.00 71.14 C ATOM 1593 C CYS A 103 -9.774 -9.522 3.647 1.00 41.53 C ATOM 1594 O CYS A 103 -10.689 -9.138 2.912 1.00 51.23 O ATOM 1595 CB CYS A 103 -8.011 -11.309 3.419 1.00 32.52 C ATOM 1596 SG CYS A 103 -7.548 -10.705 1.783 1.00 34.53 S ATOM 0 H CYS A 103 -10.542 -11.449 2.043 1.00 10.22 H new ATOM 0 HA CYS A 103 -9.618 -11.304 4.854 1.00 71.14 H new ATOM 0 HB2 CYS A 103 -7.353 -10.855 4.160 1.00 32.52 H new ATOM 0 HB3 CYS A 103 -7.841 -12.385 3.458 1.00 32.52 H new ATOM 0 HG CYS A 103 -8.041 -11.493 0.874 1.00 34.53 H new ATOM 1602 N THR A 104 -9.024 -8.681 4.368 1.00 52.21 N ATOM 1603 CA THR A 104 -9.116 -7.216 4.245 1.00 3.45 C ATOM 1604 C THR A 104 -7.721 -6.578 4.203 1.00 21.30 C ATOM 1605 O THR A 104 -6.988 -6.610 5.187 1.00 0.14 O ATOM 1606 CB THR A 104 -9.991 -6.592 5.386 1.00 60.30 C ATOM 1607 OG1 THR A 104 -11.365 -7.012 5.233 1.00 61.05 O ATOM 1608 CG2 THR A 104 -9.945 -5.056 5.418 1.00 3.43 C ATOM 0 H THR A 104 -8.336 -8.993 5.053 1.00 52.21 H new ATOM 0 HA THR A 104 -9.614 -6.998 3.300 1.00 3.45 H new ATOM 0 HB THR A 104 -9.572 -6.951 6.326 1.00 60.30 H new ATOM 0 HG1 THR A 104 -11.953 -6.229 5.275 1.00 61.05 H new ATOM 0 HG21 THR A 104 -10.572 -4.690 6.231 1.00 3.43 H new ATOM 0 HG22 THR A 104 -8.918 -4.726 5.575 1.00 3.43 H new ATOM 0 HG23 THR A 104 -10.312 -4.661 4.471 1.00 3.43 H new ATOM 1616 N VAL A 105 -7.366 -5.984 3.050 1.00 51.31 N ATOM 1617 CA VAL A 105 -6.051 -5.351 2.847 1.00 0.11 C ATOM 1618 C VAL A 105 -6.087 -3.897 3.375 1.00 32.41 C ATOM 1619 O VAL A 105 -6.723 -3.017 2.782 1.00 55.13 O ATOM 1620 CB VAL A 105 -5.617 -5.386 1.335 1.00 64.14 C ATOM 1621 CG1 VAL A 105 -4.169 -4.877 1.147 1.00 73.22 C ATOM 1622 CG2 VAL A 105 -5.768 -6.805 0.753 1.00 41.10 C ATOM 0 H VAL A 105 -7.979 -5.929 2.237 1.00 51.31 H new ATOM 0 HA VAL A 105 -5.307 -5.918 3.407 1.00 0.11 H new ATOM 0 HB VAL A 105 -6.281 -4.714 0.790 1.00 64.14 H new ATOM 0 HG11 VAL A 105 -3.904 -4.916 0.090 1.00 73.22 H new ATOM 0 HG12 VAL A 105 -4.096 -3.849 1.502 1.00 73.22 H new ATOM 0 HG13 VAL A 105 -3.485 -5.507 1.716 1.00 73.22 H new ATOM 0 HG21 VAL A 105 -5.462 -6.804 -0.293 1.00 41.10 H new ATOM 0 HG22 VAL A 105 -5.140 -7.497 1.314 1.00 41.10 H new ATOM 0 HG23 VAL A 105 -6.809 -7.119 0.826 1.00 41.10 H new ATOM 1632 N VAL A 106 -5.415 -3.678 4.513 1.00 11.13 N ATOM 1633 CA VAL A 106 -5.415 -2.394 5.239 1.00 11.12 C ATOM 1634 C VAL A 106 -4.162 -1.575 4.853 1.00 3.02 C ATOM 1635 O VAL A 106 -3.062 -1.827 5.356 1.00 14.03 O ATOM 1636 CB VAL A 106 -5.465 -2.638 6.797 1.00 65.42 C ATOM 1637 CG1 VAL A 106 -5.423 -1.309 7.599 1.00 12.31 C ATOM 1638 CG2 VAL A 106 -6.712 -3.478 7.177 1.00 31.31 C ATOM 0 H VAL A 106 -4.847 -4.395 4.964 1.00 11.13 H new ATOM 0 HA VAL A 106 -6.304 -1.829 4.959 1.00 11.12 H new ATOM 0 HB VAL A 106 -4.571 -3.200 7.068 1.00 65.42 H new ATOM 0 HG11 VAL A 106 -5.460 -1.527 8.666 1.00 12.31 H new ATOM 0 HG12 VAL A 106 -4.501 -0.774 7.369 1.00 12.31 H new ATOM 0 HG13 VAL A 106 -6.279 -0.692 7.325 1.00 12.31 H new ATOM 0 HG21 VAL A 106 -6.729 -3.636 8.255 1.00 31.31 H new ATOM 0 HG22 VAL A 106 -7.614 -2.947 6.873 1.00 31.31 H new ATOM 0 HG23 VAL A 106 -6.670 -4.442 6.670 1.00 31.31 H new ATOM 1648 N TRP A 107 -4.328 -0.598 3.942 1.00 53.24 N ATOM 1649 CA TRP A 107 -3.194 0.187 3.410 1.00 70.12 C ATOM 1650 C TRP A 107 -3.154 1.597 4.060 1.00 34.54 C ATOM 1651 O TRP A 107 -4.067 2.405 3.891 1.00 44.25 O ATOM 1652 CB TRP A 107 -3.279 0.275 1.863 1.00 13.20 C ATOM 1653 CG TRP A 107 -1.956 0.552 1.181 1.00 4.32 C ATOM 1654 CD1 TRP A 107 -0.739 0.771 1.778 1.00 72.33 C ATOM 1655 CD2 TRP A 107 -1.716 0.610 -0.228 1.00 54.03 C ATOM 1656 NE1 TRP A 107 0.223 0.954 0.832 1.00 62.43 N ATOM 1657 CE2 TRP A 107 -0.347 0.873 -0.407 1.00 52.11 C ATOM 1658 CE3 TRP A 107 -2.530 0.476 -1.351 1.00 15.04 C ATOM 1659 CZ2 TRP A 107 0.230 0.992 -1.664 1.00 33.33 C ATOM 1660 CZ3 TRP A 107 -1.961 0.599 -2.599 1.00 72.40 C ATOM 1661 CH2 TRP A 107 -0.590 0.858 -2.749 1.00 63.04 C ATOM 0 H TRP A 107 -5.235 -0.332 3.558 1.00 53.24 H new ATOM 0 HA TRP A 107 -2.263 -0.320 3.665 1.00 70.12 H new ATOM 0 HB2 TRP A 107 -3.683 -0.662 1.479 1.00 13.20 H new ATOM 0 HB3 TRP A 107 -3.985 1.061 1.594 1.00 13.20 H new ATOM 0 HD1 TRP A 107 -0.569 0.795 2.844 1.00 72.33 H new ATOM 0 HE1 TRP A 107 1.211 1.124 1.019 1.00 62.43 H new ATOM 0 HE3 TRP A 107 -3.587 0.279 -1.245 1.00 15.04 H new ATOM 0 HZ2 TRP A 107 1.287 1.183 -1.780 1.00 33.33 H new ATOM 0 HZ3 TRP A 107 -2.581 0.494 -3.477 1.00 72.40 H new ATOM 0 HH2 TRP A 107 -0.175 0.953 -3.741 1.00 63.04 H new ATOM 1672 N THR A 108 -2.053 1.877 4.754 1.00 44.24 N ATOM 1673 CA THR A 108 -1.886 3.054 5.635 1.00 65.12 C ATOM 1674 C THR A 108 -0.712 3.935 5.135 1.00 71.24 C ATOM 1675 O THR A 108 0.305 3.405 4.696 1.00 15.05 O ATOM 1676 CB THR A 108 -1.604 2.556 7.103 1.00 11.22 C ATOM 1677 OG1 THR A 108 -2.637 1.637 7.512 1.00 52.12 O ATOM 1678 CG2 THR A 108 -1.526 3.705 8.123 1.00 50.03 C ATOM 0 H THR A 108 -1.225 1.282 4.725 1.00 44.24 H new ATOM 0 HA THR A 108 -2.796 3.654 5.620 1.00 65.12 H new ATOM 0 HB THR A 108 -0.631 2.066 7.086 1.00 11.22 H new ATOM 0 HG1 THR A 108 -2.457 1.328 8.425 1.00 52.12 H new ATOM 0 HG21 THR A 108 -1.330 3.298 9.115 1.00 50.03 H new ATOM 0 HG22 THR A 108 -0.721 4.385 7.844 1.00 50.03 H new ATOM 0 HG23 THR A 108 -2.472 4.247 8.134 1.00 50.03 H new ATOM 1686 N ALA A 109 -0.870 5.278 5.179 1.00 61.41 N ATOM 1687 CA ALA A 109 0.211 6.240 4.831 1.00 12.14 C ATOM 1688 C ALA A 109 0.140 7.507 5.711 1.00 64.05 C ATOM 1689 O ALA A 109 -0.769 8.312 5.581 1.00 55.03 O ATOM 1690 CB ALA A 109 0.139 6.625 3.343 1.00 72.12 C ATOM 0 H ALA A 109 -1.743 5.727 5.454 1.00 61.41 H new ATOM 0 HA ALA A 109 1.164 5.746 5.021 1.00 12.14 H new ATOM 0 HB1 ALA A 109 0.938 7.329 3.110 1.00 72.12 H new ATOM 0 HB2 ALA A 109 0.253 5.731 2.730 1.00 72.12 H new ATOM 0 HB3 ALA A 109 -0.825 7.088 3.133 1.00 72.12 H new ATOM 1696 N MET A 110 1.148 7.696 6.563 1.00 72.03 N ATOM 1697 CA MET A 110 1.222 8.825 7.518 1.00 73.02 C ATOM 1698 C MET A 110 2.531 9.614 7.311 1.00 54.42 C ATOM 1699 O MET A 110 3.624 9.052 7.327 1.00 64.22 O ATOM 1700 CB MET A 110 1.060 8.348 8.995 1.00 54.51 C ATOM 1701 CG MET A 110 1.855 7.100 9.394 1.00 35.40 C ATOM 1702 SD MET A 110 1.249 5.615 8.563 1.00 54.21 S ATOM 1703 CE MET A 110 2.249 4.336 9.310 1.00 32.20 C ATOM 0 H MET A 110 1.950 7.068 6.618 1.00 72.03 H new ATOM 0 HA MET A 110 0.386 9.495 7.317 1.00 73.02 H new ATOM 0 HB2 MET A 110 1.353 9.166 9.653 1.00 54.51 H new ATOM 0 HB3 MET A 110 0.003 8.154 9.179 1.00 54.51 H new ATOM 0 HG2 MET A 110 2.907 7.248 9.150 1.00 35.40 H new ATOM 0 HG3 MET A 110 1.794 6.961 10.473 1.00 35.40 H new ATOM 0 HE1 MET A 110 1.620 3.482 9.560 1.00 32.20 H new ATOM 0 HE2 MET A 110 3.024 4.024 8.609 1.00 32.20 H new ATOM 0 HE3 MET A 110 2.714 4.721 10.217 1.00 32.20 H new ATOM 1713 N PHE A 111 2.395 10.931 7.146 1.00 41.23 N ATOM 1714 CA PHE A 111 3.488 11.824 6.706 1.00 34.22 C ATOM 1715 C PHE A 111 3.367 13.205 7.367 1.00 52.21 C ATOM 1716 O PHE A 111 2.280 13.601 7.791 1.00 64.21 O ATOM 1717 CB PHE A 111 3.506 11.922 5.146 1.00 15.13 C ATOM 1718 CG PHE A 111 2.130 12.006 4.461 1.00 12.25 C ATOM 1719 CD1 PHE A 111 1.271 13.085 4.682 1.00 54.00 C ATOM 1720 CD2 PHE A 111 1.701 11.006 3.584 1.00 62.33 C ATOM 1721 CE1 PHE A 111 0.045 13.158 4.052 1.00 74.01 C ATOM 1722 CE2 PHE A 111 0.478 11.082 2.954 1.00 3.13 C ATOM 1723 CZ PHE A 111 -0.351 12.160 3.188 1.00 52.10 C ATOM 0 H PHE A 111 1.516 11.421 7.314 1.00 41.23 H new ATOM 0 HA PHE A 111 4.441 11.401 7.025 1.00 34.22 H new ATOM 0 HB2 PHE A 111 4.085 12.801 4.863 1.00 15.13 H new ATOM 0 HB3 PHE A 111 4.033 11.053 4.753 1.00 15.13 H new ATOM 0 HD1 PHE A 111 1.571 13.874 5.356 1.00 54.00 H new ATOM 0 HD2 PHE A 111 2.341 10.157 3.396 1.00 62.33 H new ATOM 0 HE1 PHE A 111 -0.606 14.000 4.237 1.00 74.01 H new ATOM 0 HE2 PHE A 111 0.169 10.299 2.278 1.00 3.13 H new ATOM 0 HZ PHE A 111 -1.310 12.222 2.694 1.00 52.10 H new ATOM 1733 N ASP A 112 4.494 13.929 7.471 1.00 22.52 N ATOM 1734 CA ASP A 112 4.508 15.270 8.074 1.00 25.34 C ATOM 1735 C ASP A 112 4.086 16.327 7.030 1.00 55.21 C ATOM 1736 O ASP A 112 4.922 16.929 6.347 1.00 34.54 O ATOM 1737 CB ASP A 112 5.894 15.573 8.683 1.00 60.04 C ATOM 1738 CG ASP A 112 5.929 16.898 9.455 1.00 2.13 C ATOM 1739 OD1 ASP A 112 5.274 16.992 10.519 1.00 21.22 O ATOM 1740 OD2 ASP A 112 6.600 17.854 9.011 1.00 2.42 O ATOM 0 H ASP A 112 5.406 13.607 7.145 1.00 22.52 H new ATOM 0 HA ASP A 112 3.784 15.307 8.888 1.00 25.34 H new ATOM 0 HB2 ASP A 112 6.177 14.761 9.352 1.00 60.04 H new ATOM 0 HB3 ASP A 112 6.637 15.603 7.886 1.00 60.04 H new ATOM 1745 N CYS A 113 2.765 16.473 6.867 1.00 53.31 N ATOM 1746 CA CYS A 113 2.157 17.456 5.945 1.00 42.55 C ATOM 1747 C CYS A 113 1.242 18.442 6.700 1.00 62.32 C ATOM 1748 O CYS A 113 0.646 18.088 7.724 1.00 54.51 O ATOM 1749 CB CYS A 113 1.353 16.717 4.859 1.00 64.21 C ATOM 1750 SG CYS A 113 0.587 17.790 3.628 1.00 33.45 S ATOM 0 H CYS A 113 2.079 15.912 7.372 1.00 53.31 H new ATOM 0 HA CYS A 113 2.958 18.031 5.481 1.00 42.55 H new ATOM 0 HB2 CYS A 113 2.015 16.017 4.349 1.00 64.21 H new ATOM 0 HB3 CYS A 113 0.574 16.126 5.341 1.00 64.21 H new ATOM 0 HG CYS A 113 1.472 18.130 2.738 1.00 33.45 H new ATOM 1756 N SER A 114 1.146 19.673 6.174 1.00 31.34 N ATOM 1757 CA SER A 114 0.291 20.747 6.737 1.00 54.30 C ATOM 1758 C SER A 114 -1.213 20.365 6.615 1.00 51.54 C ATOM 1759 O SER A 114 -1.638 20.027 5.516 1.00 54.34 O ATOM 1760 CB SER A 114 0.562 22.071 5.987 1.00 11.42 C ATOM 1761 OG SER A 114 1.943 22.401 5.981 1.00 35.40 O ATOM 0 H SER A 114 1.660 19.960 5.341 1.00 31.34 H new ATOM 0 HA SER A 114 0.531 20.873 7.793 1.00 54.30 H new ATOM 0 HB2 SER A 114 0.204 21.987 4.961 1.00 11.42 H new ATOM 0 HB3 SER A 114 -0.002 22.877 6.457 1.00 11.42 H new ATOM 0 HG SER A 114 2.076 23.243 5.497 1.00 35.40 H new ATOM 1767 N PRO A 115 -2.030 20.428 7.737 1.00 2.32 N ATOM 1768 CA PRO A 115 -3.447 19.911 7.804 1.00 32.30 C ATOM 1769 C PRO A 115 -4.340 20.149 6.549 1.00 20.03 C ATOM 1770 O PRO A 115 -5.104 19.258 6.153 1.00 63.32 O ATOM 1771 CB PRO A 115 -4.017 20.665 9.027 1.00 23.02 C ATOM 1772 CG PRO A 115 -2.845 20.792 9.946 1.00 75.50 C ATOM 1773 CD PRO A 115 -1.633 21.009 9.053 1.00 21.11 C ATOM 0 HA PRO A 115 -3.443 18.823 7.869 1.00 32.30 H new ATOM 0 HB2 PRO A 115 -4.413 21.641 8.746 1.00 23.02 H new ATOM 0 HB3 PRO A 115 -4.833 20.112 9.493 1.00 23.02 H new ATOM 0 HG2 PRO A 115 -2.977 21.627 10.634 1.00 75.50 H new ATOM 0 HG3 PRO A 115 -2.726 19.895 10.553 1.00 75.50 H new ATOM 0 HD2 PRO A 115 -1.391 22.068 8.963 1.00 21.11 H new ATOM 0 HD3 PRO A 115 -0.750 20.513 9.455 1.00 21.11 H new ATOM 1781 N GLU A 116 -4.231 21.346 5.937 1.00 5.05 N ATOM 1782 CA GLU A 116 -5.026 21.717 4.730 1.00 71.20 C ATOM 1783 C GLU A 116 -4.648 20.813 3.530 1.00 4.25 C ATOM 1784 O GLU A 116 -5.509 20.199 2.893 1.00 63.31 O ATOM 1785 CB GLU A 116 -4.808 23.218 4.356 1.00 21.23 C ATOM 1786 CG GLU A 116 -4.733 24.200 5.545 1.00 75.53 C ATOM 1787 CD GLU A 116 -5.981 24.215 6.451 1.00 70.03 C ATOM 1788 OE1 GLU A 116 -6.036 23.438 7.434 1.00 34.34 O ATOM 1789 OE2 GLU A 116 -6.895 25.027 6.206 1.00 62.05 O ATOM 0 H GLU A 116 -3.599 22.081 6.255 1.00 5.05 H new ATOM 0 HA GLU A 116 -6.080 21.569 4.966 1.00 71.20 H new ATOM 0 HB2 GLU A 116 -3.885 23.300 3.782 1.00 21.23 H new ATOM 0 HB3 GLU A 116 -5.620 23.532 3.700 1.00 21.23 H new ATOM 0 HG2 GLU A 116 -3.864 23.948 6.152 1.00 75.53 H new ATOM 0 HG3 GLU A 116 -4.570 25.206 5.158 1.00 75.53 H new ATOM 1796 N THR A 117 -3.335 20.737 3.253 1.00 2.34 N ATOM 1797 CA THR A 117 -2.775 19.861 2.198 1.00 4.33 C ATOM 1798 C THR A 117 -2.916 18.361 2.574 1.00 63.13 C ATOM 1799 O THR A 117 -3.088 17.518 1.709 1.00 70.01 O ATOM 1800 CB THR A 117 -1.266 20.207 1.922 1.00 41.35 C ATOM 1801 OG1 THR A 117 -1.132 21.596 1.562 1.00 60.52 O ATOM 1802 CG2 THR A 117 -0.657 19.347 0.798 1.00 12.54 C ATOM 0 H THR A 117 -2.629 21.279 3.751 1.00 2.34 H new ATOM 0 HA THR A 117 -3.348 20.041 1.288 1.00 4.33 H new ATOM 0 HB THR A 117 -0.725 19.994 2.844 1.00 41.35 H new ATOM 0 HG1 THR A 117 -0.188 21.801 1.394 1.00 60.52 H new ATOM 0 HG21 THR A 117 0.386 19.628 0.649 1.00 12.54 H new ATOM 0 HG22 THR A 117 -0.714 18.294 1.074 1.00 12.54 H new ATOM 0 HG23 THR A 117 -1.212 19.510 -0.126 1.00 12.54 H new ATOM 1810 N ALA A 118 -2.883 18.056 3.885 1.00 41.34 N ATOM 1811 CA ALA A 118 -2.913 16.668 4.403 1.00 63.34 C ATOM 1812 C ALA A 118 -4.285 15.989 4.159 1.00 45.31 C ATOM 1813 O ALA A 118 -4.345 14.832 3.740 1.00 53.42 O ATOM 1814 CB ALA A 118 -2.564 16.655 5.900 1.00 0.11 C ATOM 0 H ALA A 118 -2.835 18.763 4.618 1.00 41.34 H new ATOM 0 HA ALA A 118 -2.166 16.094 3.856 1.00 63.34 H new ATOM 0 HB1 ALA A 118 -2.589 15.630 6.271 1.00 0.11 H new ATOM 0 HB2 ALA A 118 -1.566 17.069 6.045 1.00 0.11 H new ATOM 0 HB3 ALA A 118 -3.289 17.257 6.448 1.00 0.11 H new ATOM 1820 N ARG A 119 -5.384 16.740 4.410 1.00 5.42 N ATOM 1821 CA ARG A 119 -6.769 16.255 4.156 1.00 41.21 C ATOM 1822 C ARG A 119 -7.069 16.192 2.639 1.00 70.20 C ATOM 1823 O ARG A 119 -7.889 15.381 2.187 1.00 11.24 O ATOM 1824 CB ARG A 119 -7.823 17.121 4.902 1.00 25.05 C ATOM 1825 CG ARG A 119 -7.882 18.604 4.478 1.00 51.24 C ATOM 1826 CD ARG A 119 -8.948 19.405 5.255 1.00 21.24 C ATOM 1827 NE ARG A 119 -10.302 18.843 5.075 1.00 70.54 N ATOM 1828 CZ ARG A 119 -11.374 19.182 5.763 1.00 71.35 C ATOM 1829 NH1 ARG A 119 -11.333 20.101 6.673 1.00 20.25 N ATOM 1830 NH2 ARG A 119 -12.494 18.592 5.516 1.00 64.43 N ATOM 0 H ARG A 119 -5.342 17.686 4.789 1.00 5.42 H new ATOM 0 HA ARG A 119 -6.839 15.242 4.553 1.00 41.21 H new ATOM 0 HB2 ARG A 119 -8.807 16.678 4.749 1.00 25.05 H new ATOM 0 HB3 ARG A 119 -7.616 17.074 5.971 1.00 25.05 H new ATOM 0 HG2 ARG A 119 -6.905 19.061 4.634 1.00 51.24 H new ATOM 0 HG3 ARG A 119 -8.095 18.664 3.411 1.00 51.24 H new ATOM 0 HD2 ARG A 119 -8.696 19.411 6.315 1.00 21.24 H new ATOM 0 HD3 ARG A 119 -8.938 20.442 4.920 1.00 21.24 H new ATOM 0 HE ARG A 119 -10.418 18.130 4.355 1.00 70.54 H new ATOM 0 HH11 ARG A 119 -10.456 20.582 6.872 1.00 20.25 H new ATOM 0 HH12 ARG A 119 -12.178 20.344 7.191 1.00 20.25 H new ATOM 0 HH21 ARG A 119 -12.543 17.872 4.795 1.00 64.43 H new ATOM 0 HH22 ARG A 119 -13.331 18.845 6.042 1.00 64.43 H new ATOM 1844 N GLU A 120 -6.393 17.068 1.873 1.00 33.35 N ATOM 1845 CA GLU A 120 -6.388 17.025 0.397 1.00 63.22 C ATOM 1846 C GLU A 120 -5.720 15.714 -0.100 1.00 33.20 C ATOM 1847 O GLU A 120 -6.224 15.049 -1.005 1.00 41.43 O ATOM 1848 CB GLU A 120 -5.629 18.259 -0.160 1.00 22.22 C ATOM 1849 CG GLU A 120 -5.523 18.328 -1.695 1.00 25.40 C ATOM 1850 CD GLU A 120 -4.613 19.470 -2.175 1.00 32.25 C ATOM 1851 OE1 GLU A 120 -5.100 20.610 -2.350 1.00 12.23 O ATOM 1852 OE2 GLU A 120 -3.397 19.235 -2.366 1.00 54.41 O ATOM 0 H GLU A 120 -5.833 17.828 2.260 1.00 33.35 H new ATOM 0 HA GLU A 120 -7.417 17.047 0.037 1.00 63.22 H new ATOM 0 HB2 GLU A 120 -6.127 19.162 0.194 1.00 22.22 H new ATOM 0 HB3 GLU A 120 -4.622 18.265 0.258 1.00 22.22 H new ATOM 0 HG2 GLU A 120 -5.139 17.380 -2.072 1.00 25.40 H new ATOM 0 HG3 GLU A 120 -6.519 18.460 -2.119 1.00 25.40 H new ATOM 1859 N LEU A 121 -4.603 15.338 0.550 1.00 45.02 N ATOM 1860 CA LEU A 121 -3.831 14.122 0.218 1.00 3.51 C ATOM 1861 C LEU A 121 -4.541 12.842 0.713 1.00 50.11 C ATOM 1862 O LEU A 121 -4.284 11.761 0.190 1.00 42.22 O ATOM 1863 CB LEU A 121 -2.382 14.213 0.763 1.00 0.31 C ATOM 1864 CG LEU A 121 -1.478 15.315 0.114 1.00 71.44 C ATOM 1865 CD1 LEU A 121 -0.060 15.313 0.725 1.00 70.10 C ATOM 1866 CD2 LEU A 121 -1.426 15.168 -1.425 1.00 15.41 C ATOM 0 H LEU A 121 -4.207 15.871 1.325 1.00 45.02 H new ATOM 0 HA LEU A 121 -3.774 14.058 -0.869 1.00 3.51 H new ATOM 0 HB2 LEU A 121 -2.428 14.394 1.837 1.00 0.31 H new ATOM 0 HB3 LEU A 121 -1.900 13.245 0.623 1.00 0.31 H new ATOM 0 HG LEU A 121 -1.931 16.281 0.337 1.00 71.44 H new ATOM 0 HD11 LEU A 121 0.541 16.090 0.252 1.00 70.10 H new ATOM 0 HD12 LEU A 121 -0.125 15.506 1.796 1.00 70.10 H new ATOM 0 HD13 LEU A 121 0.406 14.342 0.559 1.00 70.10 H new ATOM 0 HD21 LEU A 121 -0.790 15.948 -1.844 1.00 15.41 H new ATOM 0 HD22 LEU A 121 -1.019 14.191 -1.684 1.00 15.41 H new ATOM 0 HD23 LEU A 121 -2.432 15.262 -1.834 1.00 15.41 H new ATOM 1878 N GLU A 122 -5.421 12.959 1.732 1.00 72.54 N ATOM 1879 CA GLU A 122 -6.329 11.847 2.117 1.00 22.24 C ATOM 1880 C GLU A 122 -7.257 11.475 0.940 1.00 5.34 C ATOM 1881 O GLU A 122 -7.565 10.304 0.737 1.00 54.11 O ATOM 1882 CB GLU A 122 -7.177 12.196 3.375 1.00 61.04 C ATOM 1883 CG GLU A 122 -6.367 12.407 4.668 1.00 40.55 C ATOM 1884 CD GLU A 122 -7.246 12.630 5.917 1.00 13.24 C ATOM 1885 OE1 GLU A 122 -8.025 13.610 5.944 1.00 35.42 O ATOM 1886 OE2 GLU A 122 -7.167 11.835 6.883 1.00 3.34 O ATOM 0 H GLU A 122 -5.524 13.801 2.299 1.00 72.54 H new ATOM 0 HA GLU A 122 -5.703 10.990 2.367 1.00 22.24 H new ATOM 0 HB2 GLU A 122 -7.748 13.102 3.170 1.00 61.04 H new ATOM 0 HB3 GLU A 122 -7.898 11.396 3.542 1.00 61.04 H new ATOM 0 HG2 GLU A 122 -5.729 11.539 4.833 1.00 40.55 H new ATOM 0 HG3 GLU A 122 -5.709 13.266 4.539 1.00 40.55 H new ATOM 1893 N SER A 123 -7.711 12.494 0.190 1.00 45.03 N ATOM 1894 CA SER A 123 -8.509 12.301 -1.046 1.00 63.11 C ATOM 1895 C SER A 123 -7.652 11.778 -2.233 1.00 60.25 C ATOM 1896 O SER A 123 -8.047 10.824 -2.905 1.00 64.23 O ATOM 1897 CB SER A 123 -9.213 13.624 -1.439 1.00 74.40 C ATOM 1898 OG SER A 123 -10.042 14.101 -0.385 1.00 0.44 O ATOM 0 H SER A 123 -7.539 13.473 0.417 1.00 45.03 H new ATOM 0 HA SER A 123 -9.257 11.538 -0.829 1.00 63.11 H new ATOM 0 HB2 SER A 123 -8.465 14.377 -1.686 1.00 74.40 H new ATOM 0 HB3 SER A 123 -9.814 13.467 -2.335 1.00 74.40 H new ATOM 0 HG SER A 123 -10.472 14.938 -0.660 1.00 0.44 H new ATOM 1904 N VAL A 124 -6.491 12.414 -2.488 1.00 63.52 N ATOM 1905 CA VAL A 124 -5.623 12.093 -3.663 1.00 23.42 C ATOM 1906 C VAL A 124 -4.854 10.749 -3.495 1.00 64.23 C ATOM 1907 O VAL A 124 -4.923 9.867 -4.354 1.00 1.52 O ATOM 1908 CB VAL A 124 -4.596 13.267 -3.922 1.00 44.30 C ATOM 1909 CG1 VAL A 124 -3.645 12.961 -5.109 1.00 74.21 C ATOM 1910 CG2 VAL A 124 -5.339 14.611 -4.147 1.00 24.35 C ATOM 0 H VAL A 124 -6.122 13.159 -1.898 1.00 63.52 H new ATOM 0 HA VAL A 124 -6.285 11.982 -4.522 1.00 23.42 H new ATOM 0 HB VAL A 124 -3.979 13.355 -3.028 1.00 44.30 H new ATOM 0 HG11 VAL A 124 -2.958 13.795 -5.249 1.00 74.21 H new ATOM 0 HG12 VAL A 124 -3.077 12.055 -4.896 1.00 74.21 H new ATOM 0 HG13 VAL A 124 -4.231 12.817 -6.017 1.00 74.21 H new ATOM 0 HG21 VAL A 124 -4.612 15.404 -4.323 1.00 24.35 H new ATOM 0 HG22 VAL A 124 -5.996 14.523 -5.012 1.00 24.35 H new ATOM 0 HG23 VAL A 124 -5.931 14.852 -3.264 1.00 24.35 H new ATOM 1920 N ILE A 125 -4.121 10.616 -2.388 1.00 43.10 N ATOM 1921 CA ILE A 125 -3.297 9.415 -2.095 1.00 34.11 C ATOM 1922 C ILE A 125 -4.173 8.254 -1.548 1.00 3.52 C ATOM 1923 O ILE A 125 -4.130 7.140 -2.072 1.00 32.22 O ATOM 1924 CB ILE A 125 -2.144 9.763 -1.073 1.00 32.44 C ATOM 1925 CG1 ILE A 125 -1.240 10.913 -1.634 1.00 43.33 C ATOM 1926 CG2 ILE A 125 -1.301 8.514 -0.691 1.00 13.51 C ATOM 1927 CD1 ILE A 125 -0.137 11.383 -0.690 1.00 44.24 C ATOM 0 H ILE A 125 -4.074 11.331 -1.662 1.00 43.10 H new ATOM 0 HA ILE A 125 -2.844 9.087 -3.030 1.00 34.11 H new ATOM 0 HB ILE A 125 -2.615 10.113 -0.155 1.00 32.44 H new ATOM 0 HG12 ILE A 125 -0.782 10.575 -2.564 1.00 43.33 H new ATOM 0 HG13 ILE A 125 -1.873 11.765 -1.882 1.00 43.33 H new ATOM 0 HG21 ILE A 125 -0.521 8.803 0.013 1.00 13.51 H new ATOM 0 HG22 ILE A 125 -1.947 7.766 -0.231 1.00 13.51 H new ATOM 0 HG23 ILE A 125 -0.843 8.096 -1.588 1.00 13.51 H new ATOM 0 HD11 ILE A 125 0.435 12.180 -1.166 1.00 44.24 H new ATOM 0 HD12 ILE A 125 -0.582 11.757 0.232 1.00 44.24 H new ATOM 0 HD13 ILE A 125 0.526 10.548 -0.461 1.00 44.24 H new ATOM 1939 N GLY A 126 -4.973 8.542 -0.501 1.00 20.20 N ATOM 1940 CA GLY A 126 -5.795 7.516 0.173 1.00 12.21 C ATOM 1941 C GLY A 126 -6.990 7.029 -0.656 1.00 44.44 C ATOM 1942 O GLY A 126 -7.022 5.879 -1.096 1.00 72.44 O ATOM 0 H GLY A 126 -5.067 9.477 -0.104 1.00 20.20 H new ATOM 0 HA2 GLY A 126 -5.163 6.662 0.417 1.00 12.21 H new ATOM 0 HA3 GLY A 126 -6.161 7.921 1.116 1.00 12.21 H new ATOM 1946 N ASP A 127 -7.977 7.909 -0.864 1.00 50.11 N ATOM 1947 CA ASP A 127 -9.202 7.590 -1.631 1.00 14.22 C ATOM 1948 C ASP A 127 -8.881 7.385 -3.135 1.00 31.24 C ATOM 1949 O ASP A 127 -9.558 6.620 -3.828 1.00 42.41 O ATOM 1950 CB ASP A 127 -10.247 8.714 -1.433 1.00 24.33 C ATOM 1951 CG ASP A 127 -11.596 8.426 -2.120 1.00 42.04 C ATOM 1952 OD1 ASP A 127 -12.406 7.652 -1.562 1.00 12.34 O ATOM 1953 OD2 ASP A 127 -11.856 8.975 -3.214 1.00 64.22 O ATOM 0 H ASP A 127 -7.955 8.865 -0.508 1.00 50.11 H new ATOM 0 HA ASP A 127 -9.617 6.654 -1.257 1.00 14.22 H new ATOM 0 HB2 ASP A 127 -10.415 8.859 -0.366 1.00 24.33 H new ATOM 0 HB3 ASP A 127 -9.842 9.648 -1.822 1.00 24.33 H new ATOM 1958 N GLY A 128 -7.844 8.086 -3.623 1.00 1.44 N ATOM 1959 CA GLY A 128 -7.365 7.924 -4.993 1.00 12.54 C ATOM 1960 C GLY A 128 -6.494 6.680 -5.174 1.00 21.34 C ATOM 1961 O GLY A 128 -7.024 5.579 -5.285 1.00 52.51 O ATOM 0 H GLY A 128 -7.323 8.773 -3.079 1.00 1.44 H new ATOM 0 HA2 GLY A 128 -8.220 7.865 -5.667 1.00 12.54 H new ATOM 0 HA3 GLY A 128 -6.794 8.807 -5.280 1.00 12.54 H new ATOM 1965 N VAL A 129 -5.159 6.867 -5.117 1.00 41.15 N ATOM 1966 CA VAL A 129 -4.142 5.824 -5.448 1.00 1.30 C ATOM 1967 C VAL A 129 -4.410 4.451 -4.762 1.00 61.33 C ATOM 1968 O VAL A 129 -4.414 3.392 -5.419 1.00 71.31 O ATOM 1969 CB VAL A 129 -2.697 6.324 -5.054 1.00 44.32 C ATOM 1970 CG1 VAL A 129 -1.605 5.281 -5.408 1.00 30.45 C ATOM 1971 CG2 VAL A 129 -2.377 7.697 -5.704 1.00 22.13 C ATOM 0 H VAL A 129 -4.743 7.755 -4.837 1.00 41.15 H new ATOM 0 HA VAL A 129 -4.216 5.666 -6.524 1.00 1.30 H new ATOM 0 HB VAL A 129 -2.691 6.450 -3.971 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -0.627 5.666 -5.120 1.00 30.45 H new ATOM 0 HG12 VAL A 129 -1.801 4.352 -4.872 1.00 30.45 H new ATOM 0 HG13 VAL A 129 -1.618 5.090 -6.481 1.00 30.45 H new ATOM 0 HG21 VAL A 129 -1.375 8.013 -5.413 1.00 22.13 H new ATOM 0 HG22 VAL A 129 -2.428 7.607 -6.789 1.00 22.13 H new ATOM 0 HG23 VAL A 129 -3.103 8.437 -5.367 1.00 22.13 H new ATOM 1981 N PHE A 130 -4.654 4.498 -3.443 1.00 60.20 N ATOM 1982 CA PHE A 130 -4.822 3.288 -2.611 1.00 53.22 C ATOM 1983 C PHE A 130 -6.159 2.589 -2.892 1.00 33.12 C ATOM 1984 O PHE A 130 -6.160 1.452 -3.329 1.00 13.20 O ATOM 1985 CB PHE A 130 -4.702 3.618 -1.090 1.00 23.30 C ATOM 1986 CG PHE A 130 -3.317 4.034 -0.581 1.00 72.44 C ATOM 1987 CD1 PHE A 130 -2.261 4.324 -1.451 1.00 11.32 C ATOM 1988 CD2 PHE A 130 -3.076 4.111 0.790 1.00 3.03 C ATOM 1989 CE1 PHE A 130 -1.021 4.679 -0.966 1.00 41.03 C ATOM 1990 CE2 PHE A 130 -1.835 4.465 1.272 1.00 35.41 C ATOM 1991 CZ PHE A 130 -0.806 4.748 0.394 1.00 71.44 C ATOM 0 H PHE A 130 -4.741 5.370 -2.921 1.00 60.20 H new ATOM 0 HA PHE A 130 -4.015 2.607 -2.882 1.00 53.22 H new ATOM 0 HB2 PHE A 130 -5.404 4.420 -0.860 1.00 23.30 H new ATOM 0 HB3 PHE A 130 -5.023 2.742 -0.526 1.00 23.30 H new ATOM 0 HD1 PHE A 130 -2.420 4.269 -2.518 1.00 11.32 H new ATOM 0 HD2 PHE A 130 -3.873 3.890 1.484 1.00 3.03 H new ATOM 0 HE1 PHE A 130 -0.217 4.903 -1.652 1.00 41.03 H new ATOM 0 HE2 PHE A 130 -1.666 4.521 2.337 1.00 35.41 H new ATOM 0 HZ PHE A 130 0.167 5.023 0.773 1.00 71.44 H new ATOM 2001 N ALA A 131 -7.284 3.292 -2.650 1.00 62.34 N ATOM 2002 CA ALA A 131 -8.647 2.698 -2.756 1.00 44.13 C ATOM 2003 C ALA A 131 -8.939 2.147 -4.177 1.00 43.12 C ATOM 2004 O ALA A 131 -9.628 1.140 -4.328 1.00 52.14 O ATOM 2005 CB ALA A 131 -9.707 3.723 -2.331 1.00 1.33 C ATOM 0 H ALA A 131 -7.283 4.275 -2.379 1.00 62.34 H new ATOM 0 HA ALA A 131 -8.689 1.847 -2.077 1.00 44.13 H new ATOM 0 HB1 ALA A 131 -10.698 3.277 -2.413 1.00 1.33 H new ATOM 0 HB2 ALA A 131 -9.529 4.024 -1.299 1.00 1.33 H new ATOM 0 HB3 ALA A 131 -9.648 4.597 -2.979 1.00 1.33 H new ATOM 2011 N VAL A 132 -8.377 2.812 -5.199 1.00 12.22 N ATOM 2012 CA VAL A 132 -8.400 2.337 -6.604 1.00 1.50 C ATOM 2013 C VAL A 132 -7.692 0.951 -6.750 1.00 25.22 C ATOM 2014 O VAL A 132 -8.263 0.004 -7.312 1.00 45.22 O ATOM 2015 CB VAL A 132 -7.731 3.424 -7.547 1.00 53.51 C ATOM 2016 CG1 VAL A 132 -7.228 2.834 -8.876 1.00 35.34 C ATOM 2017 CG2 VAL A 132 -8.693 4.607 -7.816 1.00 13.24 C ATOM 0 H VAL A 132 -7.890 3.700 -5.080 1.00 12.22 H new ATOM 0 HA VAL A 132 -9.438 2.199 -6.907 1.00 1.50 H new ATOM 0 HB VAL A 132 -6.859 3.795 -7.007 1.00 53.51 H new ATOM 0 HG11 VAL A 132 -6.781 3.624 -9.479 1.00 35.34 H new ATOM 0 HG12 VAL A 132 -6.482 2.065 -8.674 1.00 35.34 H new ATOM 0 HG13 VAL A 132 -8.065 2.394 -9.418 1.00 35.34 H new ATOM 0 HG21 VAL A 132 -8.204 5.333 -8.465 1.00 13.24 H new ATOM 0 HG22 VAL A 132 -9.597 4.238 -8.301 1.00 13.24 H new ATOM 0 HG23 VAL A 132 -8.957 5.084 -6.872 1.00 13.24 H new ATOM 2027 N GLY A 133 -6.460 0.855 -6.209 1.00 52.34 N ATOM 2028 CA GLY A 133 -5.654 -0.375 -6.289 1.00 24.21 C ATOM 2029 C GLY A 133 -6.222 -1.528 -5.451 1.00 50.21 C ATOM 2030 O GLY A 133 -6.201 -2.688 -5.870 1.00 41.34 O ATOM 0 H GLY A 133 -6.003 1.619 -5.711 1.00 52.34 H new ATOM 0 HA2 GLY A 133 -5.587 -0.690 -7.330 1.00 24.21 H new ATOM 0 HA3 GLY A 133 -4.639 -0.158 -5.956 1.00 24.21 H new ATOM 2034 N LEU A 134 -6.757 -1.178 -4.275 1.00 71.22 N ATOM 2035 CA LEU A 134 -7.321 -2.129 -3.299 1.00 1.21 C ATOM 2036 C LEU A 134 -8.622 -2.780 -3.819 1.00 44.32 C ATOM 2037 O LEU A 134 -8.824 -3.989 -3.657 1.00 32.51 O ATOM 2038 CB LEU A 134 -7.580 -1.398 -1.952 1.00 32.32 C ATOM 2039 CG LEU A 134 -6.319 -0.926 -1.161 1.00 12.43 C ATOM 2040 CD1 LEU A 134 -6.717 -0.275 0.181 1.00 10.13 C ATOM 2041 CD2 LEU A 134 -5.318 -2.084 -0.956 1.00 44.14 C ATOM 0 H LEU A 134 -6.813 -0.208 -3.966 1.00 71.22 H new ATOM 0 HA LEU A 134 -6.598 -2.930 -3.147 1.00 1.21 H new ATOM 0 HB2 LEU A 134 -8.204 -0.526 -2.151 1.00 32.32 H new ATOM 0 HB3 LEU A 134 -8.157 -2.062 -1.309 1.00 32.32 H new ATOM 0 HG LEU A 134 -5.816 -0.166 -1.759 1.00 12.43 H new ATOM 0 HD11 LEU A 134 -5.820 0.044 0.711 1.00 10.13 H new ATOM 0 HD12 LEU A 134 -7.353 0.589 -0.009 1.00 10.13 H new ATOM 0 HD13 LEU A 134 -7.260 -0.998 0.790 1.00 10.13 H new ATOM 0 HD21 LEU A 134 -4.452 -1.722 -0.402 1.00 44.14 H new ATOM 0 HD22 LEU A 134 -5.799 -2.885 -0.395 1.00 44.14 H new ATOM 0 HD23 LEU A 134 -4.996 -2.463 -1.926 1.00 44.14 H new ATOM 2053 N ASN A 135 -9.492 -1.965 -4.450 1.00 11.43 N ATOM 2054 CA ASN A 135 -10.756 -2.457 -5.051 1.00 61.40 C ATOM 2055 C ASN A 135 -10.469 -3.427 -6.215 1.00 21.44 C ATOM 2056 O ASN A 135 -11.078 -4.485 -6.300 1.00 34.43 O ATOM 2057 CB ASN A 135 -11.664 -1.287 -5.519 1.00 61.51 C ATOM 2058 CG ASN A 135 -12.291 -0.510 -4.355 1.00 23.20 C ATOM 2059 OD1 ASN A 135 -12.571 -1.055 -3.292 1.00 30.11 O ATOM 2060 ND2 ASN A 135 -12.523 0.769 -4.547 1.00 74.51 N ATOM 0 H ASN A 135 -9.345 -0.961 -4.558 1.00 11.43 H new ATOM 0 HA ASN A 135 -11.296 -3.000 -4.276 1.00 61.40 H new ATOM 0 HB2 ASN A 135 -11.077 -0.602 -6.131 1.00 61.51 H new ATOM 0 HB3 ASN A 135 -12.457 -1.682 -6.154 1.00 61.51 H new ATOM 0 HD21 ASN A 135 -12.943 1.328 -3.805 1.00 74.51 H new ATOM 0 HD22 ASN A 135 -12.283 1.203 -5.438 1.00 74.51 H new ATOM 2067 N ALA A 136 -9.490 -3.075 -7.071 1.00 2.04 N ATOM 2068 CA ALA A 136 -9.072 -3.931 -8.214 1.00 13.24 C ATOM 2069 C ALA A 136 -8.460 -5.277 -7.741 1.00 63.41 C ATOM 2070 O ALA A 136 -8.584 -6.298 -8.427 1.00 5.21 O ATOM 2071 CB ALA A 136 -8.081 -3.172 -9.104 1.00 62.11 C ATOM 0 H ALA A 136 -8.968 -2.202 -6.997 1.00 2.04 H new ATOM 0 HA ALA A 136 -9.964 -4.170 -8.792 1.00 13.24 H new ATOM 0 HB1 ALA A 136 -7.781 -3.807 -9.938 1.00 62.11 H new ATOM 0 HB2 ALA A 136 -8.555 -2.269 -9.488 1.00 62.11 H new ATOM 0 HB3 ALA A 136 -7.202 -2.900 -8.520 1.00 62.11 H new ATOM 2077 N LEU A 137 -7.799 -5.263 -6.563 1.00 20.10 N ATOM 2078 CA LEU A 137 -7.264 -6.488 -5.917 1.00 42.22 C ATOM 2079 C LEU A 137 -8.441 -7.381 -5.432 1.00 55.23 C ATOM 2080 O LEU A 137 -8.448 -8.600 -5.651 1.00 31.42 O ATOM 2081 CB LEU A 137 -6.302 -6.096 -4.742 1.00 41.32 C ATOM 2082 CG LEU A 137 -5.358 -7.222 -4.166 1.00 65.03 C ATOM 2083 CD1 LEU A 137 -4.194 -6.629 -3.349 1.00 20.02 C ATOM 2084 CD2 LEU A 137 -6.099 -8.259 -3.301 1.00 41.15 C ATOM 0 H LEU A 137 -7.621 -4.410 -6.034 1.00 20.10 H new ATOM 0 HA LEU A 137 -6.684 -7.064 -6.638 1.00 42.22 H new ATOM 0 HB2 LEU A 137 -5.674 -5.272 -5.082 1.00 41.32 H new ATOM 0 HB3 LEU A 137 -6.911 -5.715 -3.922 1.00 41.32 H new ATOM 0 HG LEU A 137 -4.967 -7.736 -5.044 1.00 65.03 H new ATOM 0 HD11 LEU A 137 -3.567 -7.436 -2.970 1.00 20.02 H new ATOM 0 HD12 LEU A 137 -3.598 -5.976 -3.986 1.00 20.02 H new ATOM 0 HD13 LEU A 137 -4.592 -6.055 -2.512 1.00 20.02 H new ATOM 0 HD21 LEU A 137 -5.390 -9.003 -2.938 1.00 41.15 H new ATOM 0 HD22 LEU A 137 -6.566 -7.758 -2.453 1.00 41.15 H new ATOM 0 HD23 LEU A 137 -6.866 -8.750 -3.899 1.00 41.15 H new ATOM 2096 N ALA A 138 -9.422 -6.746 -4.783 1.00 70.14 N ATOM 2097 CA ALA A 138 -10.632 -7.422 -4.272 1.00 73.34 C ATOM 2098 C ALA A 138 -11.453 -8.080 -5.408 1.00 73.25 C ATOM 2099 O ALA A 138 -11.940 -9.214 -5.275 1.00 64.44 O ATOM 2100 CB ALA A 138 -11.492 -6.407 -3.507 1.00 51.02 C ATOM 0 H ALA A 138 -9.405 -5.744 -4.593 1.00 70.14 H new ATOM 0 HA ALA A 138 -10.319 -8.223 -3.602 1.00 73.34 H new ATOM 0 HB1 ALA A 138 -12.387 -6.901 -3.128 1.00 51.02 H new ATOM 0 HB2 ALA A 138 -10.920 -6.001 -2.673 1.00 51.02 H new ATOM 0 HB3 ALA A 138 -11.781 -5.597 -4.177 1.00 51.02 H new ATOM 2106 N GLU A 139 -11.556 -7.353 -6.532 1.00 12.13 N ATOM 2107 CA GLU A 139 -12.361 -7.748 -7.699 1.00 52.51 C ATOM 2108 C GLU A 139 -11.705 -8.867 -8.530 1.00 41.31 C ATOM 2109 O GLU A 139 -12.396 -9.772 -8.978 1.00 35.41 O ATOM 2110 CB GLU A 139 -12.638 -6.513 -8.590 1.00 63.13 C ATOM 2111 CG GLU A 139 -13.550 -5.460 -7.936 1.00 53.04 C ATOM 2112 CD GLU A 139 -13.767 -4.237 -8.832 1.00 31.33 C ATOM 2113 OE1 GLU A 139 -14.613 -4.310 -9.749 1.00 2.13 O ATOM 2114 OE2 GLU A 139 -13.084 -3.211 -8.638 1.00 33.33 O ATOM 0 H GLU A 139 -11.076 -6.462 -6.657 1.00 12.13 H new ATOM 0 HA GLU A 139 -13.300 -8.150 -7.318 1.00 52.51 H new ATOM 0 HB2 GLU A 139 -11.688 -6.045 -8.850 1.00 63.13 H new ATOM 0 HB3 GLU A 139 -13.095 -6.846 -9.522 1.00 63.13 H new ATOM 0 HG2 GLU A 139 -14.514 -5.912 -7.704 1.00 53.04 H new ATOM 0 HG3 GLU A 139 -13.112 -5.141 -6.990 1.00 53.04 H new ATOM 2121 N ARG A 140 -10.374 -8.810 -8.720 1.00 63.42 N ATOM 2122 CA ARG A 140 -9.657 -9.732 -9.644 1.00 23.21 C ATOM 2123 C ARG A 140 -9.782 -11.227 -9.221 1.00 12.32 C ATOM 2124 O ARG A 140 -9.892 -12.112 -10.076 1.00 62.25 O ATOM 2125 CB ARG A 140 -8.170 -9.307 -9.789 1.00 30.44 C ATOM 2126 CG ARG A 140 -7.289 -9.501 -8.534 1.00 63.30 C ATOM 2127 CD ARG A 140 -5.862 -8.939 -8.709 1.00 73.14 C ATOM 2128 NE ARG A 140 -5.213 -9.445 -9.932 1.00 73.45 N ATOM 2129 CZ ARG A 140 -3.928 -9.625 -10.107 1.00 72.25 C ATOM 2130 NH1 ARG A 140 -3.077 -9.457 -9.138 1.00 31.33 N ATOM 2131 NH2 ARG A 140 -3.503 -10.014 -11.256 1.00 74.45 N ATOM 0 H ARG A 140 -9.767 -8.139 -8.250 1.00 63.42 H new ATOM 0 HA ARG A 140 -10.140 -9.651 -10.618 1.00 23.21 H new ATOM 0 HB2 ARG A 140 -7.729 -9.872 -10.610 1.00 30.44 H new ATOM 0 HB3 ARG A 140 -8.139 -8.255 -10.073 1.00 30.44 H new ATOM 0 HG2 ARG A 140 -7.765 -9.013 -7.683 1.00 63.30 H new ATOM 0 HG3 ARG A 140 -7.229 -10.564 -8.299 1.00 63.30 H new ATOM 0 HD2 ARG A 140 -5.903 -7.850 -8.745 1.00 73.14 H new ATOM 0 HD3 ARG A 140 -5.259 -9.207 -7.842 1.00 73.14 H new ATOM 0 HE ARG A 140 -5.823 -9.677 -10.716 1.00 73.45 H new ATOM 0 HH11 ARG A 140 -3.405 -9.178 -8.213 1.00 31.33 H new ATOM 0 HH12 ARG A 140 -2.081 -9.604 -9.303 1.00 31.33 H new ATOM 0 HH21 ARG A 140 -4.164 -10.178 -12.015 1.00 74.45 H new ATOM 0 HH22 ARG A 140 -2.505 -10.159 -11.408 1.00 74.45 H new ATOM 2145 N TYR A 141 -9.784 -11.484 -7.897 1.00 32.42 N ATOM 2146 CA TYR A 141 -10.006 -12.843 -7.337 1.00 73.13 C ATOM 2147 C TYR A 141 -11.497 -13.265 -7.413 1.00 30.41 C ATOM 2148 O TYR A 141 -11.809 -14.458 -7.508 1.00 22.12 O ATOM 2149 CB TYR A 141 -9.515 -12.906 -5.875 1.00 11.44 C ATOM 2150 CG TYR A 141 -7.993 -12.776 -5.708 1.00 73.02 C ATOM 2151 CD1 TYR A 141 -7.142 -13.841 -6.028 1.00 31.10 C ATOM 2152 CD2 TYR A 141 -7.410 -11.616 -5.195 1.00 35.50 C ATOM 2153 CE1 TYR A 141 -5.783 -13.747 -5.840 1.00 42.53 C ATOM 2154 CE2 TYR A 141 -6.047 -11.521 -5.013 1.00 63.44 C ATOM 2155 CZ TYR A 141 -5.239 -12.590 -5.332 1.00 41.45 C ATOM 2156 OH TYR A 141 -3.879 -12.504 -5.143 1.00 44.53 O ATOM 0 H TYR A 141 -9.634 -10.767 -7.188 1.00 32.42 H new ATOM 0 HA TYR A 141 -9.432 -13.543 -7.944 1.00 73.13 H new ATOM 0 HB2 TYR A 141 -9.999 -12.111 -5.308 1.00 11.44 H new ATOM 0 HB3 TYR A 141 -9.836 -13.851 -5.437 1.00 11.44 H new ATOM 0 HD1 TYR A 141 -7.560 -14.752 -6.429 1.00 31.10 H new ATOM 0 HD2 TYR A 141 -8.039 -10.777 -4.936 1.00 35.50 H new ATOM 0 HE1 TYR A 141 -5.144 -14.580 -6.091 1.00 42.53 H new ATOM 0 HE2 TYR A 141 -5.614 -10.612 -4.622 1.00 63.44 H new ATOM 0 HH TYR A 141 -3.421 -13.065 -5.803 1.00 44.53 H new ATOM 2166 N GLY A 142 -12.405 -12.271 -7.381 1.00 25.22 N ATOM 2167 CA GLY A 142 -13.859 -12.523 -7.464 1.00 72.13 C ATOM 2168 C GLY A 142 -14.401 -12.455 -8.897 1.00 22.13 C ATOM 2169 O GLY A 142 -15.602 -12.655 -9.118 1.00 41.44 O ATOM 0 H GLY A 142 -12.158 -11.285 -7.298 1.00 25.22 H new ATOM 0 HA2 GLY A 142 -14.076 -13.506 -7.046 1.00 72.13 H new ATOM 0 HA3 GLY A 142 -14.384 -11.793 -6.848 1.00 72.13 H new