USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1155 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 22 GLN : amide:sc= 0.115 K(o=1.4,f=-2.6) USER MOD Set 1.2: A 86 THR OG1 : rot -100:sc= 1.33 USER MOD Set 2.1: A 66 MET CE :methyl -148:sc= -0.101 (180deg=-0.543) USER MOD Set 2.2: A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 174:sc= 0 (180deg=-0.0474) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= -0.017 (180deg=-0.136) USER MOD Single : A 12 ASN : amide:sc= 0.472 K(o=0.47,f=-8.9!) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc=-0.00932 (180deg=-0.127) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -0.0322 (180deg=-0.176) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 41 THR OG1 : rot -5:sc= 0.249 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 1 K(o=1,f=-6.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.00696 (180deg=-0.153) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.842 X(o=-0.84,f=-1.2) USER MOD Single : A 57 TYR OH : rot 30:sc= -0.0316 USER MOD Single : A 58 MET CE :methyl -149:sc= 0 (180deg=-0.167) USER MOD Single : A 59 GLN : amide:sc= -0.204 K(o=-0.2,f=-5.3!) USER MOD Single : A 60 THR OG1 : rot -78:sc= 0.27 USER MOD Single : A 61 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.5) USER MOD Single : A 64 ASN : amide:sc= -0.565 K(o=-0.57,f=-0.042) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.068 K(o=-0.068,f=-3.3!) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= 0.00031 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc=-0.00992 (180deg=-0.16) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 145:sc= 0.0604 USER MOD Single : A 98 MET CE :methyl -122:sc= -0.344 (180deg=-3.81!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -160:sc= 0.931 (180deg=0.648) USER MOD Single : A 109 ASN : amide:sc= -0.0985 K(o=-0.099,f=-0.97) USER MOD Single : A 110 MET CE :methyl -166:sc= -0.0187 (180deg=-0.257) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 117 TYR OH : rot 165:sc=-0.00932 USER MOD Single : A 118 MET CE :methyl -143:sc= -0.009 (180deg=-0.302) USER MOD Single : A 122 ASN : amide:sc= 0.698 K(o=0.7,f=-4.5!) USER MOD Single : A 124 MET CE :methyl -160:sc= 0 (180deg=-0.337) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 169:sc=-0.000953 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.672 6.982 -1.286 1.00999.99 N ATOM 2 CA ARG A 1 2.969 5.963 -0.491 1.00999.99 C ATOM 3 C ARG A 1 1.454 6.169 -0.522 1.00999.99 C ATOM 4 O ARG A 1 0.773 5.974 0.486 1.00999.99 O ATOM 5 CB ARG A 1 3.448 5.954 0.970 1.00999.99 C ATOM 6 CG ARG A 1 4.731 5.167 1.204 1.00999.99 C ATOM 7 CD ARG A 1 5.244 5.335 2.624 1.00999.99 C ATOM 8 NE ARG A 1 6.325 4.399 2.926 1.00999.99 N ATOM 9 CZ ARG A 1 7.030 4.420 4.055 1.00999.99 C ATOM 10 NH1 ARG A 1 6.774 5.332 4.984 1.00999.99 N1+ ATOM 11 NH2 ARG A 1 7.989 3.525 4.252 1.00999.99 N ATOM 0 H1 ARG A 1 4.699 6.873 -1.160 1.00999.99 H new ATOM 0 H2 ARG A 1 3.432 6.865 -2.291 1.00999.99 H new ATOM 0 H3 ARG A 1 3.383 7.930 -0.969 1.00999.99 H new ATOM 0 HA ARG A 1 3.205 5.001 -0.947 1.00999.99 H new ATOM 0 HB2 ARG A 1 3.602 6.983 1.296 1.00999.99 H new ATOM 0 HB3 ARG A 1 2.660 5.536 1.596 1.00999.99 H new ATOM 0 HG2 ARG A 1 4.551 4.111 1.005 1.00999.99 H new ATOM 0 HG3 ARG A 1 5.494 5.498 0.500 1.00999.99 H new ATOM 0 HD2 ARG A 1 5.598 6.356 2.764 1.00999.99 H new ATOM 0 HD3 ARG A 1 4.425 5.183 3.327 1.00999.99 H new ATOM 0 HE ARG A 1 6.553 3.688 2.231 1.00999.99 H new ATOM 0 HH11 ARG A 1 6.035 6.019 4.834 1.00999.99 H new ATOM 0 HH12 ARG A 1 7.316 5.346 5.848 1.00999.99 H new ATOM 0 HH21 ARG A 1 8.185 2.822 3.539 1.00999.99 H new ATOM 0 HH22 ARG A 1 8.530 3.539 5.116 1.00999.99 H new ATOM 25 N SER A 2 0.922 6.566 -1.670 1.00999.99 N ATOM 26 CA SER A 2 -0.517 6.783 -1.795 1.00999.99 C ATOM 27 C SER A 2 -1.131 5.799 -2.786 1.00999.99 C ATOM 28 O SER A 2 -1.236 6.082 -3.977 1.00999.99 O ATOM 29 CB SER A 2 -0.803 8.221 -2.235 1.00999.99 C ATOM 30 OG SER A 2 -0.237 9.152 -1.329 1.00999.99 O ATOM 0 H SER A 2 1.456 6.743 -2.521 1.00999.99 H new ATOM 0 HA SER A 2 -0.971 6.616 -0.818 1.00999.99 H new ATOM 0 HB2 SER A 2 -0.398 8.387 -3.233 1.00999.99 H new ATOM 0 HB3 SER A 2 -1.880 8.378 -2.298 1.00999.99 H new ATOM 0 HG SER A 2 -0.432 10.063 -1.632 1.00999.99 H new ATOM 36 N TRP A 3 -1.560 4.647 -2.282 1.00961.25 N ATOM 37 CA TRP A 3 -2.156 3.616 -3.130 1.00589.86 C ATOM 38 C TRP A 3 -3.676 3.620 -3.002 1.00493.74 C ATOM 39 O TRP A 3 -4.336 2.623 -3.294 1.00682.58 O ATOM 40 CB TRP A 3 -1.611 2.235 -2.759 1.00641.29 C ATOM 41 CG TRP A 3 -0.113 2.165 -2.714 1.00474.01 C ATOM 42 CD1 TRP A 3 0.739 2.057 -3.777 1.00334.40 C ATOM 43 CD2 TRP A 3 0.706 2.187 -1.541 1.00754.74 C ATOM 44 NE1 TRP A 3 2.039 2.013 -3.333 1.00404.94 N ATOM 45 CE2 TRP A 3 2.045 2.090 -1.965 1.00651.42 C ATOM 46 CE3 TRP A 3 0.438 2.280 -0.172 1.00999.99 C ATOM 47 CZ2 TRP A 3 3.109 2.083 -1.068 1.00999.99 C ATOM 48 CZ3 TRP A 3 1.495 2.274 0.716 1.00999.99 C ATOM 49 CH2 TRP A 3 2.816 2.174 0.265 1.00999.99 C ATOM 0 H TRP A 3 -1.507 4.402 -1.293 1.00961.25 H new ATOM 0 HA TRP A 3 -1.891 3.838 -4.164 1.00589.86 H new ATOM 0 HB2 TRP A 3 -2.008 1.948 -1.785 1.00641.29 H new ATOM 0 HB3 TRP A 3 -1.978 1.505 -3.480 1.00641.29 H new ATOM 0 HD1 TRP A 3 0.436 2.013 -4.813 1.00334.40 H new ATOM 0 HE1 TRP A 3 2.865 1.936 -3.926 1.00404.94 H new ATOM 0 HE3 TRP A 3 -0.579 2.355 0.185 1.00999.99 H new ATOM 0 HZ2 TRP A 3 4.130 2.008 -1.412 1.00999.99 H new ATOM 0 HZ3 TRP A 3 1.299 2.348 1.776 1.00999.99 H new ATOM 0 HH2 TRP A 3 3.621 2.169 0.985 1.00999.99 H new ATOM 60 N HIS A 4 -4.227 4.747 -2.564 1.00485.67 N ATOM 61 CA HIS A 4 -5.671 4.874 -2.388 1.00599.86 C ATOM 62 C HIS A 4 -6.343 5.373 -3.664 1.00506.44 C ATOM 63 O HIS A 4 -7.566 5.486 -3.728 1.00750.28 O ATOM 64 CB HIS A 4 -5.985 5.826 -1.228 1.00970.13 C ATOM 65 CG HIS A 4 -5.434 5.374 0.092 1.00999.99 C ATOM 66 ND1 HIS A 4 -5.908 4.289 0.793 1.00999.99 N ATOM 67 CD2 HIS A 4 -4.422 5.888 0.839 1.00999.99 C ATOM 68 CE1 HIS A 4 -5.189 4.178 1.919 1.00999.99 C ATOM 69 NE2 HIS A 4 -4.274 5.125 1.993 1.00999.99 N ATOM 0 H HIS A 4 -3.697 5.585 -2.324 1.00485.67 H new ATOM 0 HA HIS A 4 -6.066 3.884 -2.158 1.00599.86 H new ATOM 0 HB2 HIS A 4 -5.583 6.812 -1.461 1.00970.13 H new ATOM 0 HB3 HIS A 4 -7.066 5.935 -1.142 1.00970.13 H new ATOM 0 HD2 HIS A 4 -3.827 6.751 0.579 1.00999.99 H new ATOM 0 HE1 HIS A 4 -5.339 3.414 2.667 1.00999.99 H new ATOM 0 HE2 HIS A 4 -3.597 5.269 2.742 1.00999.99 H new ATOM 77 N TYR A 5 -5.537 5.675 -4.676 1.00433.07 N ATOM 78 CA TYR A 5 -6.062 6.148 -5.952 1.00537.26 C ATOM 79 C TYR A 5 -5.927 5.062 -7.014 1.00417.42 C ATOM 80 O TYR A 5 -6.917 4.618 -7.596 1.00455.89 O ATOM 81 CB TYR A 5 -5.321 7.412 -6.404 1.00863.64 C ATOM 82 CG TYR A 5 -5.406 8.558 -5.419 1.00999.99 C ATOM 83 CD1 TYR A 5 -4.357 8.830 -4.548 1.00999.99 C ATOM 84 CD2 TYR A 5 -6.534 9.366 -5.361 1.00999.99 C ATOM 85 CE1 TYR A 5 -4.431 9.876 -3.648 1.00999.99 C ATOM 86 CE2 TYR A 5 -6.615 10.414 -4.463 1.00999.99 C ATOM 87 CZ TYR A 5 -5.561 10.665 -3.610 1.00999.99 C ATOM 88 OH TYR A 5 -5.637 11.707 -2.716 1.00999.99 O ATOM 0 H TYR A 5 -4.520 5.601 -4.638 1.00433.07 H new ATOM 0 HA TYR A 5 -7.117 6.388 -5.820 1.00537.26 H new ATOM 0 HB2 TYR A 5 -4.272 7.166 -6.571 1.00863.64 H new ATOM 0 HB3 TYR A 5 -5.728 7.737 -7.361 1.00863.64 H new ATOM 0 HD1 TYR A 5 -3.470 8.214 -4.575 1.00999.99 H new ATOM 0 HD2 TYR A 5 -7.361 9.173 -6.028 1.00999.99 H new ATOM 0 HE1 TYR A 5 -3.608 10.074 -2.978 1.00999.99 H new ATOM 0 HE2 TYR A 5 -7.499 11.033 -4.430 1.00999.99 H new ATOM 0 HH TYR A 5 -6.498 12.164 -2.819 1.00999.99 H new ATOM 98 N VAL A 6 -4.691 4.636 -7.256 1.00334.13 N ATOM 99 CA VAL A 6 -4.409 3.590 -8.230 1.00279.07 C ATOM 100 C VAL A 6 -3.493 2.531 -7.618 1.00238.43 C ATOM 101 O VAL A 6 -2.717 2.830 -6.707 1.00244.26 O ATOM 102 CB VAL A 6 -3.752 4.162 -9.511 1.00314.05 C ATOM 103 CG1 VAL A 6 -4.716 5.079 -10.249 1.00362.37 C ATOM 104 CG2 VAL A 6 -2.465 4.907 -9.174 1.00375.52 C ATOM 0 H VAL A 6 -3.864 5.003 -6.786 1.00334.13 H new ATOM 0 HA VAL A 6 -5.361 3.138 -8.508 1.00279.07 H new ATOM 0 HB VAL A 6 -3.504 3.325 -10.164 1.00314.05 H new ATOM 0 HG11 VAL A 6 -4.233 5.469 -11.145 1.00362.37 H new ATOM 0 HG12 VAL A 6 -5.607 4.518 -10.532 1.00362.37 H new ATOM 0 HG13 VAL A 6 -4.999 5.907 -9.600 1.00362.37 H new ATOM 0 HG21 VAL A 6 -2.022 5.300 -10.089 1.00375.52 H new ATOM 0 HG22 VAL A 6 -2.688 5.731 -8.496 1.00375.52 H new ATOM 0 HG23 VAL A 6 -1.764 4.224 -8.695 1.00375.52 H new ATOM 114 N GLU A 7 -3.589 1.297 -8.102 1.00247.88 N ATOM 115 CA GLU A 7 -2.752 0.216 -7.590 1.00261.23 C ATOM 116 C GLU A 7 -1.348 0.261 -8.199 1.00258.13 C ATOM 117 O GLU A 7 -1.164 0.709 -9.334 1.00295.56 O ATOM 118 CB GLU A 7 -3.406 -1.138 -7.886 1.00329.01 C ATOM 119 CG GLU A 7 -4.742 -1.338 -7.185 1.00524.54 C ATOM 120 CD GLU A 7 -5.399 -2.660 -7.535 1.00700.51 C ATOM 121 OE1 GLU A 7 -4.850 -3.389 -8.391 1.00710.30 O ATOM 122 OE2 GLU A 7 -6.460 -2.967 -6.954 1.00999.99 O1- ATOM 0 H GLU A 7 -4.233 1.021 -8.843 1.00247.88 H new ATOM 0 HA GLU A 7 -2.657 0.346 -6.512 1.00261.23 H new ATOM 0 HB2 GLU A 7 -3.552 -1.233 -8.962 1.00329.01 H new ATOM 0 HB3 GLU A 7 -2.725 -1.934 -7.585 1.00329.01 H new ATOM 0 HG2 GLU A 7 -4.592 -1.286 -6.107 1.00524.54 H new ATOM 0 HG3 GLU A 7 -5.413 -0.522 -7.453 1.00524.54 H new ATOM 129 N PRO A 8 -0.338 -0.203 -7.436 1.00283.22 N ATOM 130 CA PRO A 8 1.062 -0.224 -7.885 1.00342.38 C ATOM 131 C PRO A 8 1.334 -1.287 -8.949 1.00407.81 C ATOM 132 O PRO A 8 0.555 -2.228 -9.117 1.00426.47 O ATOM 133 CB PRO A 8 1.834 -0.542 -6.603 1.00426.65 C ATOM 134 CG PRO A 8 0.874 -1.321 -5.776 1.00436.63 C ATOM 135 CD PRO A 8 -0.479 -0.730 -6.061 1.00337.38 C ATOM 0 HA PRO A 8 1.347 0.716 -8.358 1.00342.38 H new ATOM 0 HB2 PRO A 8 2.735 -1.118 -6.814 1.00426.65 H new ATOM 0 HB3 PRO A 8 2.150 0.368 -6.093 1.00426.65 H new ATOM 0 HG2 PRO A 8 0.902 -2.379 -6.036 1.00436.63 H new ATOM 0 HG3 PRO A 8 1.119 -1.246 -4.717 1.00436.63 H new ATOM 0 HD2 PRO A 8 -1.267 -1.480 -5.997 1.00337.38 H new ATOM 0 HD3 PRO A 8 -0.731 0.059 -5.352 1.00337.38 H new ATOM 143 N LYS A 9 2.447 -1.108 -9.668 1.00517.29 N ATOM 144 CA LYS A 9 2.881 -2.024 -10.733 1.00659.90 C ATOM 145 C LYS A 9 1.939 -2.000 -11.937 1.00611.96 C ATOM 146 O LYS A 9 1.951 -2.919 -12.756 1.00826.27 O ATOM 147 CB LYS A 9 3.010 -3.462 -10.209 1.00999.99 C ATOM 148 CG LYS A 9 4.096 -3.644 -9.160 1.00999.99 C ATOM 149 CD LYS A 9 4.188 -5.091 -8.701 1.00999.99 C ATOM 150 CE LYS A 9 5.294 -5.285 -7.677 1.00999.99 C ATOM 151 NZ LYS A 9 5.040 -4.514 -6.428 1.00999.99 N1+ ATOM 0 H LYS A 9 3.078 -0.319 -9.528 1.00517.29 H new ATOM 0 HA LYS A 9 3.859 -1.672 -11.062 1.00659.90 H new ATOM 0 HB2 LYS A 9 2.054 -3.770 -9.785 1.00999.99 H new ATOM 0 HB3 LYS A 9 3.215 -4.126 -11.048 1.00999.99 H new ATOM 0 HG2 LYS A 9 5.056 -3.329 -9.569 1.00999.99 H new ATOM 0 HG3 LYS A 9 3.888 -3.002 -8.304 1.00999.99 H new ATOM 0 HD2 LYS A 9 3.235 -5.398 -8.270 1.00999.99 H new ATOM 0 HD3 LYS A 9 4.371 -5.735 -9.561 1.00999.99 H new ATOM 0 HE2 LYS A 9 5.384 -6.344 -7.437 1.00999.99 H new ATOM 0 HE3 LYS A 9 6.246 -4.974 -8.108 1.00999.99 H new ATOM 0 HZ1 LYS A 9 5.732 -4.790 -5.703 1.00999.99 H new ATOM 0 HZ2 LYS A 9 5.131 -3.497 -6.624 1.00999.99 H new ATOM 0 HZ3 LYS A 9 4.079 -4.716 -6.085 1.00999.99 H new ATOM 165 N PHE A 10 1.112 -0.958 -12.032 1.00593.04 N ATOM 166 CA PHE A 10 0.185 -0.814 -13.155 1.00718.66 C ATOM 167 C PHE A 10 0.957 -0.691 -14.471 1.00444.77 C ATOM 168 O PHE A 10 0.661 -1.380 -15.449 1.00430.55 O ATOM 169 CB PHE A 10 -0.714 0.411 -12.942 1.00999.99 C ATOM 170 CG PHE A 10 -1.657 0.688 -14.081 1.00999.99 C ATOM 171 CD1 PHE A 10 -2.789 -0.091 -14.266 1.00999.99 C ATOM 172 CD2 PHE A 10 -1.415 1.731 -14.961 1.00999.99 C ATOM 173 CE1 PHE A 10 -3.658 0.164 -15.310 1.00999.99 C ATOM 174 CE2 PHE A 10 -2.281 1.991 -16.005 1.00999.99 C ATOM 175 CZ PHE A 10 -3.404 1.206 -16.180 1.00999.99 C ATOM 0 H PHE A 10 1.065 -0.204 -11.347 1.00593.04 H new ATOM 0 HA PHE A 10 -0.444 -1.703 -13.208 1.00718.66 H new ATOM 0 HB2 PHE A 10 -1.295 0.268 -12.031 1.00999.99 H new ATOM 0 HB3 PHE A 10 -0.085 1.287 -12.785 1.00999.99 H new ATOM 0 HD1 PHE A 10 -2.994 -0.906 -13.587 1.00999.99 H new ATOM 0 HD2 PHE A 10 -0.539 2.348 -14.829 1.00999.99 H new ATOM 0 HE1 PHE A 10 -4.535 -0.451 -15.445 1.00999.99 H new ATOM 0 HE2 PHE A 10 -2.080 2.807 -16.684 1.00999.99 H new ATOM 0 HZ PHE A 10 -4.082 1.407 -16.996 1.00999.99 H new ATOM 185 N LEU A 11 1.935 0.215 -14.478 1.00349.73 N ATOM 186 CA LEU A 11 2.785 0.448 -15.644 1.00235.63 C ATOM 187 C LEU A 11 3.528 -0.826 -16.052 1.00206.14 C ATOM 188 O LEU A 11 3.998 -1.577 -15.197 1.00278.24 O ATOM 189 CB LEU A 11 3.785 1.573 -15.352 1.00330.72 C ATOM 190 CG LEU A 11 4.674 1.982 -16.528 1.00430.08 C ATOM 191 CD1 LEU A 11 3.835 2.523 -17.678 1.00480.09 C ATOM 192 CD2 LEU A 11 5.695 3.016 -16.084 1.00781.60 C ATOM 0 H LEU A 11 2.159 0.806 -13.678 1.00349.73 H new ATOM 0 HA LEU A 11 2.145 0.745 -16.475 1.00235.63 H new ATOM 0 HB2 LEU A 11 3.232 2.449 -15.015 1.00330.72 H new ATOM 0 HB3 LEU A 11 4.425 1.262 -14.526 1.00330.72 H new ATOM 0 HG LEU A 11 5.204 1.097 -16.880 1.00430.08 H new ATOM 0 HD11 LEU A 11 4.488 2.807 -18.503 1.00480.09 H new ATOM 0 HD12 LEU A 11 3.140 1.754 -18.014 1.00480.09 H new ATOM 0 HD13 LEU A 11 3.275 3.396 -17.341 1.00480.09 H new ATOM 0 HD21 LEU A 11 6.320 3.297 -16.931 1.00781.60 H new ATOM 0 HD22 LEU A 11 5.179 3.898 -15.706 1.00781.60 H new ATOM 0 HD23 LEU A 11 6.320 2.595 -15.296 1.00781.60 H new ATOM 204 N ASN A 12 3.629 -1.060 -17.361 1.00156.36 N ATOM 205 CA ASN A 12 4.321 -2.239 -17.882 1.00143.87 C ATOM 206 C ASN A 12 5.797 -2.216 -17.467 1.00134.56 C ATOM 207 O ASN A 12 6.491 -1.214 -17.661 1.00124.23 O ATOM 208 CB ASN A 12 4.192 -2.290 -19.411 1.00149.74 C ATOM 209 CG ASN A 12 4.635 -3.616 -20.012 1.00157.35 C ATOM 210 OD1 ASN A 12 5.490 -4.313 -19.470 1.00185.89 O ATOM 211 ND2 ASN A 12 4.049 -3.971 -21.148 1.00216.75 N ATOM 0 H ASN A 12 3.241 -0.449 -18.079 1.00156.36 H new ATOM 0 HA ASN A 12 3.860 -3.134 -17.463 1.00143.87 H new ATOM 0 HB2 ASN A 12 3.154 -2.103 -19.687 1.00149.74 H new ATOM 0 HB3 ASN A 12 4.787 -1.486 -19.845 1.00149.74 H new ATOM 0 HD21 ASN A 12 4.304 -4.849 -21.601 1.00216.75 H new ATOM 0 HD22 ASN A 12 3.343 -3.366 -21.568 1.00216.75 H new ATOM 218 N LYS A 13 6.265 -3.333 -16.909 1.00148.99 N ATOM 219 CA LYS A 13 7.647 -3.466 -16.444 1.00152.70 C ATOM 220 C LYS A 13 8.664 -3.348 -17.583 1.00126.31 C ATOM 221 O LYS A 13 9.840 -3.075 -17.340 1.00117.25 O ATOM 222 CB LYS A 13 7.831 -4.799 -15.708 1.00189.09 C ATOM 223 CG LYS A 13 7.645 -6.025 -16.591 1.00262.69 C ATOM 224 CD LYS A 13 7.810 -7.313 -15.799 1.00423.01 C ATOM 225 CE LYS A 13 7.559 -8.535 -16.667 1.00603.99 C ATOM 226 NZ LYS A 13 8.539 -8.639 -17.781 1.00902.90 N1+ ATOM 0 H LYS A 13 5.699 -4.169 -16.767 1.00148.99 H new ATOM 0 HA LYS A 13 7.835 -2.640 -15.759 1.00152.70 H new ATOM 0 HB2 LYS A 13 8.829 -4.826 -15.272 1.00189.09 H new ATOM 0 HB3 LYS A 13 7.121 -4.847 -14.882 1.00189.09 H new ATOM 0 HG2 LYS A 13 6.655 -6.000 -17.045 1.00262.69 H new ATOM 0 HG3 LYS A 13 8.370 -6.002 -17.405 1.00262.69 H new ATOM 0 HD2 LYS A 13 8.817 -7.360 -15.384 1.00423.01 H new ATOM 0 HD3 LYS A 13 7.118 -7.315 -14.957 1.00423.01 H new ATOM 0 HE2 LYS A 13 7.613 -9.433 -16.052 1.00603.99 H new ATOM 0 HE3 LYS A 13 6.550 -8.488 -17.076 1.00603.99 H new ATOM 0 HZ1 LYS A 13 8.442 -9.565 -18.244 1.00902.90 H new ATOM 0 HZ2 LYS A 13 8.358 -7.885 -18.474 1.00902.90 H new ATOM 0 HZ3 LYS A 13 9.504 -8.540 -17.405 1.00902.90 H new ATOM 240 N ALA A 14 8.212 -3.565 -18.818 1.00121.35 N ATOM 241 CA ALA A 14 9.090 -3.479 -19.986 1.00105.33 C ATOM 242 C ALA A 14 9.721 -2.095 -20.115 1.00 85.51 C ATOM 243 O ALA A 14 10.893 -1.968 -20.472 1.00 77.98 O ATOM 244 CB ALA A 14 8.326 -3.834 -21.253 1.00112.67 C ATOM 0 H ALA A 14 7.244 -3.801 -19.036 1.00121.35 H new ATOM 0 HA ALA A 14 9.897 -4.199 -19.846 1.00105.33 H new ATOM 0 HB1 ALA A 14 8.994 -3.765 -22.112 1.00112.67 H new ATOM 0 HB2 ALA A 14 7.941 -4.851 -21.173 1.00112.67 H new ATOM 0 HB3 ALA A 14 7.495 -3.141 -21.383 1.00112.67 H new ATOM 250 N PHE A 15 8.936 -1.062 -19.821 1.00 84.90 N ATOM 251 CA PHE A 15 9.417 0.314 -19.902 1.00 75.82 C ATOM 252 C PHE A 15 10.457 0.590 -18.824 1.00 70.57 C ATOM 253 O PHE A 15 11.359 1.409 -19.013 1.00 63.80 O ATOM 254 CB PHE A 15 8.257 1.299 -19.757 1.00 90.27 C ATOM 255 CG PHE A 15 7.342 1.325 -20.945 1.00101.24 C ATOM 256 CD1 PHE A 15 6.053 0.826 -20.854 1.00246.12 C ATOM 257 CD2 PHE A 15 7.775 1.840 -22.156 1.00164.08 C ATOM 258 CE1 PHE A 15 5.209 0.843 -21.947 1.00265.05 C ATOM 259 CE2 PHE A 15 6.935 1.861 -23.253 1.00181.35 C ATOM 260 CZ PHE A 15 5.651 1.362 -23.148 1.00136.81 C ATOM 0 H PHE A 15 7.964 -1.152 -19.525 1.00 84.90 H new ATOM 0 HA PHE A 15 9.879 0.447 -20.880 1.00 75.82 H new ATOM 0 HB2 PHE A 15 7.680 1.040 -18.869 1.00 90.27 H new ATOM 0 HB3 PHE A 15 8.658 2.299 -19.596 1.00 90.27 H new ATOM 0 HD1 PHE A 15 5.704 0.419 -19.917 1.00246.12 H new ATOM 0 HD2 PHE A 15 8.779 2.229 -22.244 1.00164.08 H new ATOM 0 HE1 PHE A 15 4.206 0.451 -21.863 1.00265.05 H new ATOM 0 HE2 PHE A 15 7.282 2.267 -24.192 1.00181.35 H new ATOM 0 HZ PHE A 15 4.993 1.378 -24.005 1.00136.81 H new ATOM 270 N GLU A 16 10.322 -0.097 -17.692 1.00 80.12 N ATOM 271 CA GLU A 16 11.241 0.076 -16.573 1.00 82.30 C ATOM 272 C GLU A 16 12.650 -0.366 -16.957 1.00 72.09 C ATOM 273 O GLU A 16 13.631 0.270 -16.579 1.00 70.72 O ATOM 274 CB GLU A 16 10.755 -0.714 -15.354 1.00100.14 C ATOM 275 CG GLU A 16 9.478 -0.158 -14.735 1.00165.35 C ATOM 276 CD GLU A 16 9.620 1.281 -14.276 1.00317.63 C ATOM 277 OE1 GLU A 16 10.580 1.578 -13.534 1.00440.18 O ATOM 278 OE2 GLU A 16 8.777 2.112 -14.669 1.00524.44 O1- ATOM 0 H GLU A 16 9.583 -0.780 -17.527 1.00 80.12 H new ATOM 0 HA GLU A 16 11.269 1.135 -16.317 1.00 82.30 H new ATOM 0 HB2 GLU A 16 10.585 -1.750 -15.647 1.00100.14 H new ATOM 0 HB3 GLU A 16 11.541 -0.721 -14.599 1.00100.14 H new ATOM 0 HG2 GLU A 16 8.669 -0.223 -15.463 1.00165.35 H new ATOM 0 HG3 GLU A 16 9.193 -0.778 -13.885 1.00165.35 H new ATOM 285 N VAL A 17 12.737 -1.463 -17.710 1.00 72.90 N ATOM 286 CA VAL A 17 14.022 -1.995 -18.159 1.00 72.63 C ATOM 287 C VAL A 17 14.763 -0.991 -19.043 1.00 63.96 C ATOM 288 O VAL A 17 15.944 -0.714 -18.831 1.00 69.07 O ATOM 289 CB VAL A 17 13.829 -3.312 -18.942 1.00 90.30 C ATOM 290 CG1 VAL A 17 15.121 -3.740 -19.626 1.00148.72 C ATOM 291 CG2 VAL A 17 13.317 -4.410 -18.022 1.00214.56 C ATOM 0 H VAL A 17 11.929 -2.001 -18.022 1.00 72.90 H new ATOM 0 HA VAL A 17 14.618 -2.187 -17.267 1.00 72.63 H new ATOM 0 HB VAL A 17 13.084 -3.136 -19.718 1.00 90.30 H new ATOM 0 HG11 VAL A 17 14.954 -4.670 -20.169 1.00148.72 H new ATOM 0 HG12 VAL A 17 15.438 -2.964 -20.323 1.00148.72 H new ATOM 0 HG13 VAL A 17 15.897 -3.892 -18.876 1.00148.72 H new ATOM 0 HG21 VAL A 17 13.187 -5.330 -18.591 1.00214.56 H new ATOM 0 HG22 VAL A 17 14.036 -4.578 -17.220 1.00214.56 H new ATOM 0 HG23 VAL A 17 12.360 -4.110 -17.594 1.00214.56 H new ATOM 301 N ALA A 18 14.054 -0.447 -20.030 1.00 57.17 N ATOM 302 CA ALA A 18 14.635 0.522 -20.949 1.00 56.13 C ATOM 303 C ALA A 18 15.065 1.793 -20.221 1.00 56.68 C ATOM 304 O ALA A 18 16.133 2.346 -20.491 1.00 61.91 O ATOM 305 CB ALA A 18 13.644 0.839 -22.057 1.00 55.42 C ATOM 0 H ALA A 18 13.074 -0.663 -20.212 1.00 57.17 H new ATOM 0 HA ALA A 18 15.531 0.084 -21.390 1.00 56.13 H new ATOM 0 HB1 ALA A 18 14.084 1.564 -22.742 1.00 55.42 H new ATOM 0 HB2 ALA A 18 13.403 -0.074 -22.601 1.00 55.42 H new ATOM 0 HB3 ALA A 18 12.734 1.254 -21.624 1.00 55.42 H new ATOM 311 N LEU A 19 14.225 2.245 -19.295 1.00 56.75 N ATOM 312 CA LEU A 19 14.503 3.447 -18.514 1.00 63.59 C ATOM 313 C LEU A 19 15.706 3.246 -17.589 1.00 62.95 C ATOM 314 O LEU A 19 16.554 4.130 -17.457 1.00 66.21 O ATOM 315 CB LEU A 19 13.278 3.830 -17.679 1.00 74.19 C ATOM 316 CG LEU A 19 13.430 5.110 -16.857 1.00167.83 C ATOM 317 CD1 LEU A 19 13.561 6.318 -17.769 1.00321.59 C ATOM 318 CD2 LEU A 19 12.260 5.280 -15.905 1.00287.80 C ATOM 0 H LEU A 19 13.340 1.793 -19.066 1.00 56.75 H new ATOM 0 HA LEU A 19 14.736 4.249 -19.214 1.00 63.59 H new ATOM 0 HB2 LEU A 19 12.424 3.944 -18.346 1.00 74.19 H new ATOM 0 HB3 LEU A 19 13.047 3.007 -17.003 1.00 74.19 H new ATOM 0 HG LEU A 19 14.341 5.029 -16.264 1.00167.83 H new ATOM 0 HD11 LEU A 19 13.668 7.219 -17.166 1.00321.59 H new ATOM 0 HD12 LEU A 19 14.438 6.200 -18.405 1.00321.59 H new ATOM 0 HD13 LEU A 19 12.670 6.402 -18.392 1.00321.59 H new ATOM 0 HD21 LEU A 19 12.389 6.197 -15.330 1.00287.80 H new ATOM 0 HD22 LEU A 19 11.332 5.336 -16.475 1.00287.80 H new ATOM 0 HD23 LEU A 19 12.217 4.429 -15.225 1.00287.80 H new ATOM 330 N LYS A 20 15.774 2.067 -16.967 1.00 63.25 N ATOM 331 CA LYS A 20 16.844 1.733 -16.023 1.00 68.73 C ATOM 332 C LYS A 20 18.226 1.811 -16.671 1.00 68.61 C ATOM 333 O LYS A 20 19.195 2.205 -16.021 1.00 73.83 O ATOM 334 CB LYS A 20 16.619 0.340 -15.427 1.00 77.71 C ATOM 335 CG LYS A 20 17.548 0.021 -14.263 1.00143.96 C ATOM 336 CD LYS A 20 17.233 -1.332 -13.644 1.00144.66 C ATOM 337 CE LYS A 20 18.045 -1.565 -12.379 1.00275.98 C ATOM 338 NZ LYS A 20 19.509 -1.587 -12.650 1.00491.97 N1+ ATOM 0 H LYS A 20 15.093 1.320 -17.102 1.00 63.25 H new ATOM 0 HA LYS A 20 16.812 2.474 -15.225 1.00 68.73 H new ATOM 0 HB2 LYS A 20 15.586 0.260 -15.089 1.00 77.71 H new ATOM 0 HB3 LYS A 20 16.758 -0.408 -16.208 1.00 77.71 H new ATOM 0 HG2 LYS A 20 18.581 0.031 -14.609 1.00143.96 H new ATOM 0 HG3 LYS A 20 17.459 0.798 -13.504 1.00143.96 H new ATOM 0 HD2 LYS A 20 16.170 -1.389 -13.411 1.00144.66 H new ATOM 0 HD3 LYS A 20 17.444 -2.122 -14.365 1.00144.66 H new ATOM 0 HE2 LYS A 20 17.822 -0.780 -11.656 1.00275.98 H new ATOM 0 HE3 LYS A 20 17.746 -2.510 -11.926 1.00275.98 H new ATOM 0 HZ1 LYS A 20 20.012 -1.946 -11.813 1.00491.97 H new ATOM 0 HZ2 LYS A 20 19.702 -2.207 -13.463 1.00491.97 H new ATOM 0 HZ3 LYS A 20 19.837 -0.623 -12.864 1.00491.97 H new ATOM 352 N VAL A 21 18.316 1.441 -17.947 1.00 68.25 N ATOM 353 CA VAL A 21 19.591 1.471 -18.660 1.00 77.13 C ATOM 354 C VAL A 21 20.127 2.903 -18.729 1.00 72.55 C ATOM 355 O VAL A 21 21.317 3.142 -18.521 1.00 79.19 O ATOM 356 CB VAL A 21 19.444 0.893 -20.088 1.00 87.85 C ATOM 357 CG1 VAL A 21 20.715 1.105 -20.905 1.00179.68 C ATOM 358 CG2 VAL A 21 19.086 -0.587 -20.031 1.00139.80 C ATOM 0 H VAL A 21 17.526 1.119 -18.506 1.00 68.25 H new ATOM 0 HA VAL A 21 20.299 0.850 -18.110 1.00 77.13 H new ATOM 0 HB VAL A 21 18.635 1.429 -20.584 1.00 87.85 H new ATOM 0 HG11 VAL A 21 20.580 0.688 -21.903 1.00179.68 H new ATOM 0 HG12 VAL A 21 20.924 2.172 -20.983 1.00179.68 H new ATOM 0 HG13 VAL A 21 21.551 0.607 -20.414 1.00179.68 H new ATOM 0 HG21 VAL A 21 18.987 -0.977 -21.044 1.00139.80 H new ATOM 0 HG22 VAL A 21 19.872 -1.132 -19.508 1.00139.80 H new ATOM 0 HG23 VAL A 21 18.143 -0.713 -19.500 1.00139.80 H new ATOM 368 N GLN A 22 19.254 3.853 -19.040 1.00 66.64 N ATOM 369 CA GLN A 22 19.651 5.256 -19.093 1.00 67.43 C ATOM 370 C GLN A 22 19.942 5.785 -17.682 1.00 67.09 C ATOM 371 O GLN A 22 20.874 6.566 -17.477 1.00 72.47 O ATOM 372 CB GLN A 22 18.571 6.104 -19.771 1.00 68.33 C ATOM 373 CG GLN A 22 18.999 7.546 -20.014 1.00156.47 C ATOM 374 CD GLN A 22 17.983 8.330 -20.817 1.00187.92 C ATOM 375 OE1 GLN A 22 17.509 7.877 -21.856 1.00223.68 O ATOM 376 NE2 GLN A 22 17.641 9.516 -20.337 1.00483.12 N ATOM 0 H GLN A 22 18.273 3.680 -19.258 1.00 66.64 H new ATOM 0 HA GLN A 22 20.562 5.329 -19.686 1.00 67.43 H new ATOM 0 HB2 GLN A 22 18.305 5.646 -20.724 1.00 68.33 H new ATOM 0 HB3 GLN A 22 17.673 6.098 -19.153 1.00 68.33 H new ATOM 0 HG2 GLN A 22 19.158 8.040 -19.055 1.00156.47 H new ATOM 0 HG3 GLN A 22 19.955 7.554 -20.538 1.00156.47 H new ATOM 0 HE21 GLN A 22 18.059 9.855 -19.470 1.00483.12 H new ATOM 0 HE22 GLN A 22 16.960 10.090 -20.834 1.00483.12 H new ATOM 385 N ILE A 23 19.128 5.347 -16.717 1.00 65.18 N ATOM 386 CA ILE A 23 19.259 5.772 -15.320 1.00 70.35 C ATOM 387 C ILE A 23 20.612 5.390 -14.708 1.00 65.97 C ATOM 388 O ILE A 23 21.267 6.224 -14.077 1.00 64.17 O ATOM 389 CB ILE A 23 18.139 5.162 -14.442 1.00 77.55 C ATOM 390 CG1 ILE A 23 16.777 5.760 -14.793 1.00 84.70 C ATOM 391 CG2 ILE A 23 18.429 5.363 -12.963 1.00120.91 C ATOM 392 CD1 ILE A 23 15.624 5.036 -14.129 1.00 96.48 C ATOM 0 H ILE A 23 18.364 4.692 -16.881 1.00 65.18 H new ATOM 0 HA ILE A 23 19.178 6.859 -15.336 1.00 70.35 H new ATOM 0 HB ILE A 23 18.112 4.092 -14.647 1.00 77.55 H new ATOM 0 HG12 ILE A 23 16.759 6.809 -14.496 1.00 84.70 H new ATOM 0 HG13 ILE A 23 16.642 5.732 -15.874 1.00 84.70 H new ATOM 0 HG21 ILE A 23 17.625 4.924 -12.372 1.00120.91 H new ATOM 0 HG22 ILE A 23 19.372 4.880 -12.708 1.00120.91 H new ATOM 0 HG23 ILE A 23 18.498 6.429 -12.747 1.00120.91 H new ATOM 0 HD11 ILE A 23 14.684 5.507 -14.417 1.00 96.48 H new ATOM 0 HD12 ILE A 23 15.619 3.993 -14.445 1.00 96.48 H new ATOM 0 HD13 ILE A 23 15.738 5.086 -13.046 1.00 96.48 H new ATOM 404 N ILE A 24 21.037 4.140 -14.903 1.00 66.14 N ATOM 405 CA ILE A 24 22.296 3.670 -14.324 1.00 64.17 C ATOM 406 C ILE A 24 23.502 4.467 -14.808 1.00 62.01 C ATOM 407 O ILE A 24 24.436 4.697 -14.045 1.00 60.43 O ATOM 408 CB ILE A 24 22.544 2.171 -14.590 1.00 70.10 C ATOM 409 CG1 ILE A 24 22.472 1.851 -16.083 1.00179.04 C ATOM 410 CG2 ILE A 24 21.556 1.317 -13.805 1.00158.26 C ATOM 411 CD1 ILE A 24 22.943 0.456 -16.434 1.00324.41 C ATOM 0 H ILE A 24 20.534 3.442 -15.451 1.00 66.14 H new ATOM 0 HA ILE A 24 22.185 3.825 -13.251 1.00 64.17 H new ATOM 0 HB ILE A 24 23.552 1.933 -14.250 1.00 70.10 H new ATOM 0 HG12 ILE A 24 21.443 1.973 -16.422 1.00179.04 H new ATOM 0 HG13 ILE A 24 23.075 2.576 -16.630 1.00179.04 H new ATOM 0 HG21 ILE A 24 21.747 0.263 -14.006 1.00158.26 H new ATOM 0 HG22 ILE A 24 21.674 1.511 -12.739 1.00158.26 H new ATOM 0 HG23 ILE A 24 20.539 1.566 -14.108 1.00158.26 H new ATOM 0 HD11 ILE A 24 22.862 0.305 -17.510 1.00324.41 H new ATOM 0 HD12 ILE A 24 23.982 0.335 -16.128 1.00324.41 H new ATOM 0 HD13 ILE A 24 22.325 -0.278 -15.917 1.00324.41 H new ATOM 423 N ALA A 25 23.486 4.880 -16.069 1.00 65.20 N ATOM 424 CA ALA A 25 24.587 5.662 -16.623 1.00 67.36 C ATOM 425 C ALA A 25 24.749 6.996 -15.888 1.00 61.38 C ATOM 426 O ALA A 25 25.860 7.380 -15.521 1.00 61.83 O ATOM 427 CB ALA A 25 24.369 5.900 -18.110 1.00 76.38 C ATOM 0 H ALA A 25 22.729 4.689 -16.725 1.00 65.20 H new ATOM 0 HA ALA A 25 25.506 5.092 -16.486 1.00 67.36 H new ATOM 0 HB1 ALA A 25 25.197 6.484 -18.510 1.00 76.38 H new ATOM 0 HB2 ALA A 25 24.317 4.942 -18.628 1.00 76.38 H new ATOM 0 HB3 ALA A 25 23.436 6.444 -18.258 1.00 76.38 H new ATOM 433 N GLY A 26 23.632 7.690 -15.668 1.00 59.56 N ATOM 434 CA GLY A 26 23.664 8.967 -14.966 1.00 59.27 C ATOM 435 C GLY A 26 24.044 8.827 -13.502 1.00 53.55 C ATOM 436 O GLY A 26 24.815 9.626 -12.967 1.00 56.28 O ATOM 0 H GLY A 26 22.703 7.390 -15.964 1.00 59.56 H new ATOM 0 HA2 GLY A 26 24.376 9.629 -15.459 1.00 59.27 H new ATOM 0 HA3 GLY A 26 22.685 9.440 -15.038 1.00 59.27 H new ATOM 440 N PHE A 27 23.501 7.795 -12.862 1.00 49.22 N ATOM 441 CA PHE A 27 23.765 7.534 -11.448 1.00 46.57 C ATOM 442 C PHE A 27 25.170 6.982 -11.229 1.00 45.25 C ATOM 443 O PHE A 27 25.710 7.061 -10.126 1.00 45.52 O ATOM 444 CB PHE A 27 22.714 6.589 -10.856 1.00 47.23 C ATOM 445 CG PHE A 27 21.445 7.291 -10.451 1.00 52.02 C ATOM 446 CD1 PHE A 27 20.486 7.621 -11.394 1.00 90.91 C ATOM 447 CD2 PHE A 27 21.216 7.622 -9.123 1.00148.84 C ATOM 448 CE1 PHE A 27 19.321 8.268 -11.021 1.00 91.85 C ATOM 449 CE2 PHE A 27 20.054 8.267 -8.747 1.00169.43 C ATOM 450 CZ PHE A 27 19.105 8.590 -9.697 1.00 73.18 C ATOM 0 H PHE A 27 22.873 7.123 -13.302 1.00 49.22 H new ATOM 0 HA PHE A 27 23.700 8.489 -10.926 1.00 46.57 H new ATOM 0 HB2 PHE A 27 22.477 5.816 -11.587 1.00 47.23 H new ATOM 0 HB3 PHE A 27 23.136 6.086 -9.986 1.00 47.23 H new ATOM 0 HD1 PHE A 27 20.649 7.371 -12.432 1.00 90.91 H new ATOM 0 HD2 PHE A 27 21.954 7.373 -8.375 1.00148.84 H new ATOM 0 HE1 PHE A 27 18.581 8.521 -11.766 1.00 91.85 H new ATOM 0 HE2 PHE A 27 19.887 8.519 -7.710 1.00169.43 H new ATOM 0 HZ PHE A 27 18.196 9.094 -9.404 1.00 73.18 H new ATOM 460 N ASP A 28 25.762 6.421 -12.280 1.00 48.20 N ATOM 461 CA ASP A 28 27.104 5.855 -12.186 1.00 52.32 C ATOM 462 C ASP A 28 28.154 6.956 -12.195 1.00 58.31 C ATOM 463 O ASP A 28 29.130 6.886 -11.449 1.00 58.86 O ATOM 464 CB ASP A 28 27.365 4.882 -13.338 1.00 60.63 C ATOM 465 CG ASP A 28 28.631 4.070 -13.140 1.00 90.22 C ATOM 466 OD1 ASP A 28 29.700 4.514 -13.605 1.00143.57 O ATOM 467 OD2 ASP A 28 28.549 2.990 -12.518 1.00145.09 O1- ATOM 0 H ASP A 28 25.335 6.346 -13.203 1.00 48.20 H new ATOM 0 HA ASP A 28 27.171 5.311 -11.244 1.00 52.32 H new ATOM 0 HB2 ASP A 28 26.516 4.206 -13.437 1.00 60.63 H new ATOM 0 HB3 ASP A 28 27.438 5.441 -14.271 1.00 60.63 H new ATOM 472 N ARG A 29 27.953 7.978 -13.029 1.00 69.25 N ATOM 473 CA ARG A 29 28.895 9.092 -13.098 1.00 83.67 C ATOM 474 C ARG A 29 28.940 9.820 -11.757 1.00 77.32 C ATOM 475 O ARG A 29 30.010 10.191 -11.272 1.00 85.27 O ATOM 476 CB ARG A 29 28.496 10.064 -14.212 1.00105.83 C ATOM 477 CG ARG A 29 28.687 9.502 -15.612 1.00176.78 C ATOM 478 CD ARG A 29 28.255 10.499 -16.676 1.00290.98 C ATOM 479 NE ARG A 29 28.422 9.969 -18.028 1.00325.38 N ATOM 480 CZ ARG A 29 29.568 10.007 -18.704 1.00514.29 C ATOM 481 NH1 ARG A 29 30.647 10.554 -18.158 1.00733.68 N1+ ATOM 482 NH2 ARG A 29 29.634 9.498 -19.927 1.00779.77 N ATOM 0 H ARG A 29 27.155 8.056 -13.659 1.00 69.25 H new ATOM 0 HA ARG A 29 29.886 8.697 -13.322 1.00 83.67 H new ATOM 0 HB2 ARG A 29 27.450 10.343 -14.082 1.00105.83 H new ATOM 0 HB3 ARG A 29 29.084 10.977 -14.113 1.00105.83 H new ATOM 0 HG2 ARG A 29 29.735 9.241 -15.761 1.00176.78 H new ATOM 0 HG3 ARG A 29 28.111 8.583 -15.718 1.00176.78 H new ATOM 0 HD2 ARG A 29 27.210 10.766 -16.519 1.00290.98 H new ATOM 0 HD3 ARG A 29 28.837 11.415 -16.572 1.00290.98 H new ATOM 0 HE ARG A 29 27.612 9.545 -18.480 1.00325.38 H new ATOM 0 HH11 ARG A 29 30.599 10.947 -17.218 1.00733.68 H new ATOM 0 HH12 ARG A 29 31.524 10.582 -18.679 1.00733.68 H new ATOM 0 HH21 ARG A 29 28.806 9.077 -20.350 1.00779.77 H new ATOM 0 HH22 ARG A 29 30.512 9.527 -20.445 1.00779.77 H new ATOM 496 N GLY A 30 27.760 10.018 -11.168 1.00 70.34 N ATOM 497 CA GLY A 30 27.668 10.663 -9.869 1.00 72.33 C ATOM 498 C GLY A 30 28.308 9.827 -8.780 1.00 62.03 C ATOM 499 O GLY A 30 28.979 10.352 -7.890 1.00 70.42 O ATOM 0 H GLY A 30 26.864 9.742 -11.570 1.00 70.34 H new ATOM 0 HA2 GLY A 30 28.154 11.638 -9.912 1.00 72.33 H new ATOM 0 HA3 GLY A 30 26.621 10.839 -9.624 1.00 72.33 H new ATOM 503 N LEU A 31 28.101 8.512 -8.865 1.00 51.43 N ATOM 504 CA LEU A 31 28.648 7.570 -7.893 1.00 49.34 C ATOM 505 C LEU A 31 30.173 7.612 -7.898 1.00 53.91 C ATOM 506 O LEU A 31 30.802 7.580 -6.844 1.00 57.97 O ATOM 507 CB LEU A 31 28.157 6.151 -8.200 1.00 49.86 C ATOM 508 CG LEU A 31 28.639 5.065 -7.234 1.00 84.61 C ATOM 509 CD1 LEU A 31 28.138 5.336 -5.825 1.00213.67 C ATOM 510 CD2 LEU A 31 28.179 3.694 -7.708 1.00175.88 C ATOM 0 H LEU A 31 27.553 8.074 -9.605 1.00 51.43 H new ATOM 0 HA LEU A 31 28.300 7.859 -6.901 1.00 49.34 H new ATOM 0 HB2 LEU A 31 27.067 6.154 -8.201 1.00 49.86 H new ATOM 0 HB3 LEU A 31 28.476 5.885 -9.208 1.00 49.86 H new ATOM 0 HG LEU A 31 29.729 5.080 -7.217 1.00 84.61 H new ATOM 0 HD11 LEU A 31 28.492 4.552 -5.156 1.00213.67 H new ATOM 0 HD12 LEU A 31 28.514 6.301 -5.485 1.00213.67 H new ATOM 0 HD13 LEU A 31 27.048 5.350 -5.823 1.00213.67 H new ATOM 0 HD21 LEU A 31 28.529 2.932 -7.012 1.00175.88 H new ATOM 0 HD22 LEU A 31 27.090 3.671 -7.754 1.00175.88 H new ATOM 0 HD23 LEU A 31 28.588 3.495 -8.699 1.00175.88 H new ATOM 522 N VAL A 32 30.755 7.688 -9.094 1.00 60.45 N ATOM 523 CA VAL A 32 32.207 7.737 -9.248 1.00 75.53 C ATOM 524 C VAL A 32 32.794 8.966 -8.551 1.00 82.56 C ATOM 525 O VAL A 32 33.822 8.872 -7.878 1.00 89.50 O ATOM 526 CB VAL A 32 32.614 7.737 -10.742 1.00 97.76 C ATOM 527 CG1 VAL A 32 34.105 8.001 -10.912 1.00275.82 C ATOM 528 CG2 VAL A 32 32.231 6.422 -11.400 1.00173.47 C ATOM 0 H VAL A 32 30.240 7.717 -9.974 1.00 60.45 H new ATOM 0 HA VAL A 32 32.611 6.841 -8.778 1.00 75.53 H new ATOM 0 HB VAL A 32 32.072 8.546 -11.233 1.00 97.76 H new ATOM 0 HG11 VAL A 32 34.357 7.994 -11.972 1.00275.82 H new ATOM 0 HG12 VAL A 32 34.353 8.973 -10.486 1.00275.82 H new ATOM 0 HG13 VAL A 32 34.673 7.225 -10.399 1.00275.82 H new ATOM 0 HG21 VAL A 32 32.525 6.441 -12.449 1.00173.47 H new ATOM 0 HG22 VAL A 32 32.740 5.601 -10.895 1.00173.47 H new ATOM 0 HG23 VAL A 32 31.153 6.280 -11.328 1.00173.47 H new ATOM 538 N LYS A 33 32.133 10.115 -8.708 1.00 88.78 N ATOM 539 CA LYS A 33 32.599 11.359 -8.091 1.00105.88 C ATOM 540 C LYS A 33 32.626 11.244 -6.565 1.00 97.11 C ATOM 541 O LYS A 33 33.559 11.717 -5.917 1.00110.76 O ATOM 542 CB LYS A 33 31.699 12.528 -8.507 1.00123.44 C ATOM 543 CG LYS A 33 31.841 12.927 -9.971 1.00171.90 C ATOM 544 CD LYS A 33 33.223 13.489 -10.281 1.00268.72 C ATOM 545 CE LYS A 33 33.439 14.842 -9.621 1.00399.61 C ATOM 546 NZ LYS A 33 34.752 15.438 -9.993 1.00545.00 N1+ ATOM 0 H LYS A 33 31.277 10.210 -9.255 1.00 88.78 H new ATOM 0 HA LYS A 33 33.615 11.544 -8.439 1.00105.88 H new ATOM 0 HB2 LYS A 33 30.660 12.261 -8.313 1.00123.44 H new ATOM 0 HB3 LYS A 33 31.929 13.391 -7.882 1.00123.44 H new ATOM 0 HG2 LYS A 33 31.653 12.059 -10.603 1.00171.90 H new ATOM 0 HG3 LYS A 33 31.084 13.671 -10.219 1.00171.90 H new ATOM 0 HD2 LYS A 33 33.986 12.790 -9.938 1.00268.72 H new ATOM 0 HD3 LYS A 33 33.343 13.587 -11.360 1.00268.72 H new ATOM 0 HE2 LYS A 33 32.637 15.520 -9.912 1.00399.61 H new ATOM 0 HE3 LYS A 33 33.385 14.730 -8.538 1.00399.61 H new ATOM 0 HZ1 LYS A 33 34.861 16.359 -9.523 1.00545.00 H new ATOM 0 HZ2 LYS A 33 35.519 14.803 -9.693 1.00545.00 H new ATOM 0 HZ3 LYS A 33 34.794 15.568 -11.024 1.00545.00 H new ATOM 560 N TRP A 34 31.596 10.625 -5.995 1.00 83.08 N ATOM 561 CA TRP A 34 31.531 10.429 -4.548 1.00 84.80 C ATOM 562 C TRP A 34 32.498 9.331 -4.101 1.00 77.06 C ATOM 563 O TRP A 34 33.105 9.416 -3.034 1.00 88.78 O ATOM 564 CB TRP A 34 30.104 10.091 -4.107 1.00 87.86 C ATOM 565 CG TRP A 34 29.322 11.290 -3.655 1.00139.00 C ATOM 566 CD1 TRP A 34 29.054 11.648 -2.364 1.00136.46 C ATOM 567 CD2 TRP A 34 28.715 12.293 -4.482 1.00409.53 C ATOM 568 NE1 TRP A 34 28.315 12.805 -2.338 1.00289.99 N ATOM 569 CE2 TRP A 34 28.095 13.222 -3.623 1.00536.36 C ATOM 570 CE3 TRP A 34 28.634 12.496 -5.861 1.00753.70 C ATOM 571 CZ2 TRP A 34 27.407 14.334 -4.101 1.00999.99 C ATOM 572 CZ3 TRP A 34 27.951 13.601 -6.335 1.00999.99 C ATOM 573 CH2 TRP A 34 27.346 14.507 -5.456 1.00999.99 C ATOM 0 H TRP A 34 30.798 10.252 -6.509 1.00 83.08 H new ATOM 0 HA TRP A 34 31.828 11.364 -4.072 1.00 84.80 H new ATOM 0 HB2 TRP A 34 29.579 9.614 -4.935 1.00 87.86 H new ATOM 0 HB3 TRP A 34 30.145 9.365 -3.295 1.00 87.86 H new ATOM 0 HD1 TRP A 34 29.377 11.100 -1.491 1.00136.46 H new ATOM 0 HE1 TRP A 34 27.984 13.277 -1.497 1.00289.99 H new ATOM 0 HE3 TRP A 34 29.097 11.801 -6.546 1.00753.70 H new ATOM 0 HZ2 TRP A 34 26.938 15.035 -3.426 1.00999.99 H new ATOM 0 HZ3 TRP A 34 27.883 13.768 -7.400 1.00999.99 H new ATOM 0 HH2 TRP A 34 26.820 15.361 -5.857 1.00999.99 H new ATOM 584 N LEU A 35 32.620 8.295 -4.922 1.00 67.65 N ATOM 585 CA LEU A 35 33.501 7.169 -4.629 1.00 72.29 C ATOM 586 C LEU A 35 34.972 7.586 -4.591 1.00 90.96 C ATOM 587 O LEU A 35 35.718 7.148 -3.723 1.00102.65 O ATOM 588 CB LEU A 35 33.300 6.056 -5.665 1.00 75.67 C ATOM 589 CG LEU A 35 34.147 4.797 -5.452 1.00107.58 C ATOM 590 CD1 LEU A 35 33.802 4.135 -4.125 1.00205.93 C ATOM 591 CD2 LEU A 35 33.947 3.823 -6.602 1.00169.22 C ATOM 0 H LEU A 35 32.115 8.211 -5.804 1.00 67.65 H new ATOM 0 HA LEU A 35 33.237 6.798 -3.639 1.00 72.29 H new ATOM 0 HB2 LEU A 35 32.248 5.770 -5.666 1.00 75.67 H new ATOM 0 HB3 LEU A 35 33.521 6.459 -6.653 1.00 75.67 H new ATOM 0 HG LEU A 35 35.197 5.089 -5.424 1.00107.58 H new ATOM 0 HD11 LEU A 35 34.415 3.243 -3.993 1.00205.93 H new ATOM 0 HD12 LEU A 35 33.996 4.832 -3.310 1.00205.93 H new ATOM 0 HD13 LEU A 35 32.748 3.855 -4.121 1.00205.93 H new ATOM 0 HD21 LEU A 35 34.555 2.934 -6.436 1.00169.22 H new ATOM 0 HD22 LEU A 35 32.896 3.538 -6.659 1.00169.22 H new ATOM 0 HD23 LEU A 35 34.246 4.297 -7.537 1.00169.22 H new ATOM 603 N ARG A 36 35.392 8.432 -5.530 1.00104.16 N ATOM 604 CA ARG A 36 36.791 8.866 -5.595 1.00135.85 C ATOM 605 C ARG A 36 37.216 9.720 -4.391 1.00142.78 C ATOM 606 O ARG A 36 38.404 9.800 -4.083 1.00164.88 O ATOM 607 CB ARG A 36 37.066 9.628 -6.901 1.00166.93 C ATOM 608 CG ARG A 36 36.409 10.997 -6.977 1.00178.27 C ATOM 609 CD ARG A 36 36.810 11.742 -8.242 1.00195.26 C ATOM 610 NE ARG A 36 36.332 11.076 -9.451 1.00253.66 N ATOM 611 CZ ARG A 36 36.691 11.436 -10.681 1.00294.34 C ATOM 612 NH1 ARG A 36 37.535 12.444 -10.859 1.00307.82 N1+ ATOM 613 NH2 ARG A 36 36.210 10.785 -11.733 1.00557.46 N ATOM 0 H ARG A 36 34.791 8.829 -6.252 1.00104.16 H new ATOM 0 HA ARG A 36 37.391 7.956 -5.569 1.00135.85 H new ATOM 0 HB2 ARG A 36 38.143 9.748 -7.018 1.00166.93 H new ATOM 0 HB3 ARG A 36 36.719 9.025 -7.740 1.00166.93 H new ATOM 0 HG2 ARG A 36 35.325 10.883 -6.949 1.00178.27 H new ATOM 0 HG3 ARG A 36 36.690 11.585 -6.103 1.00178.27 H new ATOM 0 HD2 ARG A 36 36.411 12.756 -8.206 1.00195.26 H new ATOM 0 HD3 ARG A 36 37.896 11.828 -8.282 1.00195.26 H new ATOM 0 HE ARG A 36 35.688 10.292 -9.347 1.00253.66 H new ATOM 0 HH11 ARG A 36 37.910 12.944 -10.053 1.00307.82 H new ATOM 0 HH12 ARG A 36 37.809 12.719 -11.802 1.00307.82 H new ATOM 0 HH21 ARG A 36 35.564 10.007 -11.600 1.00557.46 H new ATOM 0 HH22 ARG A 36 36.487 11.063 -12.675 1.00557.46 H new ATOM 627 N VAL A 37 36.263 10.356 -3.711 1.00136.12 N ATOM 628 CA VAL A 37 36.603 11.199 -2.564 1.00154.88 C ATOM 629 C VAL A 37 36.417 10.485 -1.220 1.00143.45 C ATOM 630 O VAL A 37 36.984 10.903 -0.212 1.00169.85 O ATOM 631 CB VAL A 37 35.804 12.525 -2.560 1.00178.07 C ATOM 632 CG1 VAL A 37 36.195 13.388 -3.751 1.00242.50 C ATOM 633 CG2 VAL A 37 34.304 12.264 -2.562 1.00284.57 C ATOM 0 H VAL A 37 35.268 10.306 -3.928 1.00136.12 H new ATOM 0 HA VAL A 37 37.663 11.425 -2.680 1.00154.88 H new ATOM 0 HB VAL A 37 36.051 13.062 -1.644 1.00178.07 H new ATOM 0 HG11 VAL A 37 35.623 14.316 -3.731 1.00242.50 H new ATOM 0 HG12 VAL A 37 37.260 13.617 -3.701 1.00242.50 H new ATOM 0 HG13 VAL A 37 35.983 12.850 -4.675 1.00242.50 H new ATOM 0 HG21 VAL A 37 33.769 13.214 -2.559 1.00284.57 H new ATOM 0 HG22 VAL A 37 34.034 11.699 -3.454 1.00284.57 H new ATOM 0 HG23 VAL A 37 34.033 11.692 -1.674 1.00284.57 H new ATOM 643 N HIS A 38 35.624 9.417 -1.197 1.00121.32 N ATOM 644 CA HIS A 38 35.393 8.678 0.048 1.00129.78 C ATOM 645 C HIS A 38 36.073 7.308 0.026 1.00120.66 C ATOM 646 O HIS A 38 36.447 6.773 1.071 1.00116.64 O ATOM 647 CB HIS A 38 33.889 8.500 0.295 1.00157.70 C ATOM 648 CG HIS A 38 33.160 9.770 0.625 1.00198.72 C ATOM 649 ND1 HIS A 38 31.786 9.886 0.626 1.00348.77 N ATOM 650 CD2 HIS A 38 33.638 10.992 0.977 1.00293.18 C ATOM 651 CE1 HIS A 38 31.479 11.143 0.970 1.00350.44 C ATOM 652 NE2 HIS A 38 32.567 11.855 1.194 1.00300.00 N ATOM 0 H HIS A 38 35.135 9.045 -2.012 1.00121.32 H new ATOM 0 HA HIS A 38 35.829 9.263 0.858 1.00129.78 H new ATOM 0 HB2 HIS A 38 33.437 8.056 -0.592 1.00157.70 H new ATOM 0 HB3 HIS A 38 33.749 7.792 1.112 1.00157.70 H new ATOM 0 HD2 HIS A 38 34.682 11.252 1.073 1.00293.18 H new ATOM 0 HE1 HIS A 38 30.472 11.524 1.053 1.00350.44 H new ATOM 0 HE2 HIS A 38 32.614 12.836 1.469 1.00300.00 H new ATOM 660 N GLY A 39 36.243 6.765 -1.177 1.00146.01 N ATOM 661 CA GLY A 39 36.853 5.452 -1.355 1.00174.62 C ATOM 662 C GLY A 39 38.260 5.336 -0.804 1.00178.59 C ATOM 663 O GLY A 39 38.694 4.239 -0.462 1.00199.70 O ATOM 0 H GLY A 39 35.965 7.218 -2.047 1.00146.01 H new ATOM 0 HA2 GLY A 39 36.224 4.704 -0.872 1.00174.62 H new ATOM 0 HA3 GLY A 39 36.872 5.215 -2.419 1.00174.62 H new ATOM 667 N ARG A 40 38.984 6.449 -0.726 1.00182.39 N ATOM 668 CA ARG A 40 40.347 6.425 -0.200 1.00216.75 C ATOM 669 C ARG A 40 40.364 6.068 1.290 1.00196.87 C ATOM 670 O ARG A 40 41.380 5.607 1.811 1.00235.83 O ATOM 671 CB ARG A 40 41.058 7.766 -0.440 1.00256.63 C ATOM 672 CG ARG A 40 40.498 8.933 0.361 1.00454.12 C ATOM 673 CD ARG A 40 41.387 10.162 0.241 1.00632.70 C ATOM 674 NE ARG A 40 41.423 10.693 -1.121 1.00929.04 N ATOM 675 CZ ARG A 40 40.549 11.578 -1.597 1.00999.99 C ATOM 676 NH1 ARG A 40 39.595 12.059 -0.810 1.00999.99 N1+ ATOM 677 NH2 ARG A 40 40.637 11.986 -2.855 1.00999.99 N ATOM 0 H ARG A 40 38.655 7.370 -1.017 1.00182.39 H new ATOM 0 HA ARG A 40 40.890 5.649 -0.740 1.00216.75 H new ATOM 0 HB2 ARG A 40 42.115 7.650 -0.198 1.00256.63 H new ATOM 0 HB3 ARG A 40 40.999 8.009 -1.501 1.00256.63 H new ATOM 0 HG2 ARG A 40 39.495 9.171 0.008 1.00454.12 H new ATOM 0 HG3 ARG A 40 40.408 8.648 1.409 1.00454.12 H new ATOM 0 HD2 ARG A 40 41.027 10.935 0.920 1.00632.70 H new ATOM 0 HD3 ARG A 40 42.399 9.907 0.556 1.00632.70 H new ATOM 0 HE ARG A 40 42.162 10.366 -1.744 1.00929.04 H new ATOM 0 HH11 ARG A 40 39.531 11.751 0.160 1.00999.99 H new ATOM 0 HH12 ARG A 40 38.926 12.737 -1.175 1.00999.99 H new ATOM 0 HH21 ARG A 40 41.374 11.622 -3.459 1.00999.99 H new ATOM 0 HH22 ARG A 40 39.967 12.664 -3.219 1.00999.99 H new ATOM 691 N THR A 41 39.242 6.287 1.979 1.00164.55 N ATOM 692 CA THR A 41 39.157 5.977 3.403 1.00180.03 C ATOM 693 C THR A 41 38.198 4.822 3.687 1.00143.11 C ATOM 694 O THR A 41 38.270 4.190 4.741 1.00157.45 O ATOM 695 CB THR A 41 38.724 7.211 4.224 1.00225.23 C ATOM 696 OG1 THR A 41 37.467 7.709 3.749 1.00193.89 O ATOM 697 CG2 THR A 41 39.772 8.312 4.148 1.00302.80 C ATOM 0 H THR A 41 38.389 6.674 1.576 1.00164.55 H new ATOM 0 HA THR A 41 40.159 5.676 3.707 1.00180.03 H new ATOM 0 HB THR A 41 38.619 6.901 5.264 1.00225.23 H new ATOM 0 HG1 THR A 41 37.194 7.204 2.954 1.00193.89 H new ATOM 0 HG21 THR A 41 39.442 9.169 4.735 1.00302.80 H new ATOM 0 HG22 THR A 41 40.717 7.942 4.545 1.00302.80 H new ATOM 0 HG23 THR A 41 39.908 8.614 3.109 1.00302.80 H new ATOM 705 N LEU A 42 37.300 4.564 2.750 1.00124.95 N ATOM 706 CA LEU A 42 36.322 3.485 2.897 1.00116.90 C ATOM 707 C LEU A 42 36.958 2.108 2.734 1.00113.15 C ATOM 708 O LEU A 42 37.911 1.933 1.974 1.00123.92 O ATOM 709 CB LEU A 42 35.174 3.632 1.891 1.00142.95 C ATOM 710 CG LEU A 42 34.234 4.817 2.127 1.00251.09 C ATOM 711 CD1 LEU A 42 33.267 4.964 0.962 1.00184.69 C ATOM 712 CD2 LEU A 42 33.470 4.646 3.432 1.00581.97 C ATOM 0 H LEU A 42 37.224 5.085 1.876 1.00124.95 H new ATOM 0 HA LEU A 42 35.927 3.567 3.910 1.00116.90 H new ATOM 0 HB2 LEU A 42 35.600 3.723 0.892 1.00142.95 H new ATOM 0 HB3 LEU A 42 34.584 2.715 1.904 1.00142.95 H new ATOM 0 HG LEU A 42 34.835 5.723 2.199 1.00251.09 H new ATOM 0 HD11 LEU A 42 32.605 5.810 1.143 1.00184.69 H new ATOM 0 HD12 LEU A 42 33.828 5.133 0.043 1.00184.69 H new ATOM 0 HD13 LEU A 42 32.675 4.054 0.864 1.00184.69 H new ATOM 0 HD21 LEU A 42 32.808 5.499 3.580 1.00581.97 H new ATOM 0 HD22 LEU A 42 32.879 3.731 3.391 1.00581.97 H new ATOM 0 HD23 LEU A 42 34.175 4.585 4.261 1.00581.97 H new ATOM 724 N SER A 43 36.419 1.137 3.460 1.00110.08 N ATOM 725 CA SER A 43 36.892 -0.239 3.391 1.00115.78 C ATOM 726 C SER A 43 36.388 -0.895 2.104 1.00104.58 C ATOM 727 O SER A 43 35.456 -0.393 1.472 1.00 88.16 O ATOM 728 CB SER A 43 36.420 -1.027 4.618 1.00123.68 C ATOM 729 OG SER A 43 36.861 -2.375 4.573 1.00239.07 O ATOM 0 H SER A 43 35.646 1.280 4.110 1.00110.08 H new ATOM 0 HA SER A 43 37.982 -0.241 3.383 1.00115.78 H new ATOM 0 HB2 SER A 43 36.795 -0.551 5.524 1.00123.68 H new ATOM 0 HB3 SER A 43 35.332 -1.001 4.672 1.00123.68 H new ATOM 0 HG SER A 43 36.545 -2.849 5.370 1.00239.07 H new ATOM 735 N THR A 44 36.995 -2.018 1.727 1.00124.16 N ATOM 736 CA THR A 44 36.615 -2.733 0.509 1.00127.73 C ATOM 737 C THR A 44 35.141 -3.145 0.555 1.00110.92 C ATOM 738 O THR A 44 34.418 -3.015 -0.434 1.00105.30 O ATOM 739 CB THR A 44 37.496 -3.984 0.305 1.00167.62 C ATOM 740 OG1 THR A 44 38.873 -3.597 0.216 1.00188.24 O ATOM 741 CG2 THR A 44 37.105 -4.740 -0.959 1.00192.01 C ATOM 0 H THR A 44 37.755 -2.454 2.249 1.00124.16 H new ATOM 0 HA THR A 44 36.767 -2.054 -0.330 1.00127.73 H new ATOM 0 HB THR A 44 37.346 -4.642 1.161 1.00167.62 H new ATOM 0 HG1 THR A 44 39.429 -4.394 0.088 1.00188.24 H new ATOM 0 HG21 THR A 44 37.745 -5.615 -1.072 1.00192.01 H new ATOM 0 HG22 THR A 44 36.065 -5.058 -0.886 1.00192.01 H new ATOM 0 HG23 THR A 44 37.225 -4.088 -1.824 1.00192.01 H new ATOM 749 N VAL A 45 34.699 -3.629 1.715 1.00112.05 N ATOM 750 CA VAL A 45 33.311 -4.044 1.895 1.00108.03 C ATOM 751 C VAL A 45 32.373 -2.840 1.798 1.00 83.86 C ATOM 752 O VAL A 45 31.316 -2.913 1.168 1.00 73.11 O ATOM 753 CB VAL A 45 33.112 -4.750 3.257 1.00130.87 C ATOM 754 CG1 VAL A 45 31.635 -4.993 3.545 1.00278.45 C ATOM 755 CG2 VAL A 45 33.886 -6.061 3.295 1.00128.50 C ATOM 0 H VAL A 45 35.283 -3.743 2.543 1.00112.05 H new ATOM 0 HA VAL A 45 33.072 -4.750 1.099 1.00108.03 H new ATOM 0 HB VAL A 45 33.500 -4.092 4.035 1.00130.87 H new ATOM 0 HG11 VAL A 45 31.529 -5.490 4.509 1.00278.45 H new ATOM 0 HG12 VAL A 45 31.107 -4.040 3.569 1.00278.45 H new ATOM 0 HG13 VAL A 45 31.211 -5.623 2.763 1.00278.45 H new ATOM 0 HG21 VAL A 45 33.735 -6.545 4.260 1.00128.50 H new ATOM 0 HG22 VAL A 45 33.530 -6.717 2.501 1.00128.50 H new ATOM 0 HG23 VAL A 45 34.948 -5.861 3.152 1.00128.50 H new ATOM 765 N GLN A 46 32.776 -1.731 2.415 1.00 84.69 N ATOM 766 CA GLN A 46 31.977 -0.508 2.406 1.00 73.08 C ATOM 767 C GLN A 46 31.813 0.042 0.990 1.00 62.50 C ATOM 768 O GLN A 46 30.736 0.515 0.626 1.00 57.12 O ATOM 769 CB GLN A 46 32.616 0.553 3.306 1.00 83.39 C ATOM 770 CG GLN A 46 32.527 0.231 4.789 1.00132.44 C ATOM 771 CD GLN A 46 33.347 1.181 5.641 1.00203.35 C ATOM 772 OE1 GLN A 46 34.371 1.701 5.197 1.00316.42 O ATOM 773 NE2 GLN A 46 32.905 1.412 6.869 1.00302.94 N ATOM 0 H GLN A 46 33.654 -1.655 2.929 1.00 84.69 H new ATOM 0 HA GLN A 46 30.988 -0.757 2.790 1.00 73.08 H new ATOM 0 HB2 GLN A 46 33.664 0.667 3.030 1.00 83.39 H new ATOM 0 HB3 GLN A 46 32.132 1.512 3.122 1.00 83.39 H new ATOM 0 HG2 GLN A 46 31.485 0.273 5.105 1.00132.44 H new ATOM 0 HG3 GLN A 46 32.870 -0.790 4.957 1.00132.44 H new ATOM 0 HE21 GLN A 46 32.051 0.960 7.197 1.00302.94 H new ATOM 0 HE22 GLN A 46 33.418 2.042 7.486 1.00302.94 H new ATOM 782 N LYS A 47 32.885 -0.014 0.198 1.00 68.99 N ATOM 783 CA LYS A 47 32.837 0.470 -1.181 1.00 69.16 C ATOM 784 C LYS A 47 31.847 -0.348 -2.010 1.00 64.72 C ATOM 785 O LYS A 47 31.089 0.204 -2.806 1.00 64.19 O ATOM 786 CB LYS A 47 34.228 0.414 -1.819 1.00 90.60 C ATOM 787 CG LYS A 47 35.197 1.446 -1.258 1.00150.76 C ATOM 788 CD LYS A 47 36.603 1.264 -1.813 1.00204.08 C ATOM 789 CE LYS A 47 36.670 1.606 -3.294 1.00309.70 C ATOM 790 NZ LYS A 47 38.058 1.502 -3.824 1.00470.35 N1+ ATOM 0 H LYS A 47 33.790 -0.387 0.485 1.00 68.99 H new ATOM 0 HA LYS A 47 32.500 1.506 -1.163 1.00 69.16 H new ATOM 0 HB2 LYS A 47 34.646 -0.582 -1.673 1.00 90.60 H new ATOM 0 HB3 LYS A 47 34.132 0.565 -2.894 1.00 90.60 H new ATOM 0 HG2 LYS A 47 34.839 2.448 -1.497 1.00150.76 H new ATOM 0 HG3 LYS A 47 35.223 1.367 -0.171 1.00150.76 H new ATOM 0 HD2 LYS A 47 37.297 1.898 -1.261 1.00204.08 H new ATOM 0 HD3 LYS A 47 36.923 0.233 -1.662 1.00204.08 H new ATOM 0 HE2 LYS A 47 36.017 0.935 -3.852 1.00309.70 H new ATOM 0 HE3 LYS A 47 36.296 2.618 -3.451 1.00309.70 H new ATOM 0 HZ1 LYS A 47 38.062 1.743 -4.836 1.00470.35 H new ATOM 0 HZ2 LYS A 47 38.677 2.161 -3.309 1.00470.35 H new ATOM 0 HZ3 LYS A 47 38.406 0.530 -3.698 1.00470.35 H new ATOM 804 N LYS A 48 31.862 -1.666 -1.816 1.00 67.82 N ATOM 805 CA LYS A 48 30.947 -2.557 -2.526 1.00 69.90 C ATOM 806 C LYS A 48 29.509 -2.315 -2.071 1.00 62.02 C ATOM 807 O LYS A 48 28.576 -2.338 -2.876 1.00 68.08 O ATOM 808 CB LYS A 48 31.338 -4.020 -2.301 1.00 78.57 C ATOM 809 CG LYS A 48 32.644 -4.405 -2.979 1.00114.97 C ATOM 810 CD LYS A 48 32.994 -5.865 -2.738 1.00200.36 C ATOM 811 CE LYS A 48 34.308 -6.242 -3.399 1.00259.67 C ATOM 812 NZ LYS A 48 34.249 -6.099 -4.880 1.00369.78 N1+ ATOM 0 H LYS A 48 32.497 -2.140 -1.174 1.00 67.82 H new ATOM 0 HA LYS A 48 31.016 -2.342 -3.592 1.00 69.90 H new ATOM 0 HB2 LYS A 48 31.424 -4.205 -1.230 1.00 78.57 H new ATOM 0 HB3 LYS A 48 30.540 -4.663 -2.673 1.00 78.57 H new ATOM 0 HG2 LYS A 48 32.565 -4.222 -4.051 1.00114.97 H new ATOM 0 HG3 LYS A 48 33.448 -3.771 -2.605 1.00114.97 H new ATOM 0 HD2 LYS A 48 33.059 -6.052 -1.666 1.00200.36 H new ATOM 0 HD3 LYS A 48 32.196 -6.499 -3.125 1.00200.36 H new ATOM 0 HE2 LYS A 48 35.106 -5.612 -3.005 1.00259.67 H new ATOM 0 HE3 LYS A 48 34.560 -7.271 -3.144 1.00259.67 H new ATOM 0 HZ1 LYS A 48 35.082 -6.553 -5.306 1.00369.78 H new ATOM 0 HZ2 LYS A 48 33.385 -6.554 -5.239 1.00369.78 H new ATOM 0 HZ3 LYS A 48 34.238 -5.090 -5.131 1.00369.78 H new ATOM 826 N ALA A 49 29.349 -2.086 -0.767 1.00 57.48 N ATOM 827 CA ALA A 49 28.043 -1.815 -0.167 1.00 60.42 C ATOM 828 C ALA A 49 27.426 -0.542 -0.744 1.00 61.38 C ATOM 829 O ALA A 49 26.211 -0.455 -0.924 1.00 66.37 O ATOM 830 CB ALA A 49 28.164 -1.707 1.346 1.00 66.79 C ATOM 0 H ALA A 49 30.120 -2.083 -0.099 1.00 57.48 H new ATOM 0 HA ALA A 49 27.383 -2.649 -0.406 1.00 60.42 H new ATOM 0 HB1 ALA A 49 27.183 -1.505 1.776 1.00 66.79 H new ATOM 0 HB2 ALA A 49 28.551 -2.644 1.748 1.00 66.79 H new ATOM 0 HB3 ALA A 49 28.845 -0.895 1.599 1.00 66.79 H new ATOM 836 N LEU A 50 28.281 0.441 -1.022 1.00 62.68 N ATOM 837 CA LEU A 50 27.853 1.727 -1.574 1.00 69.31 C ATOM 838 C LEU A 50 27.126 1.542 -2.909 1.00 70.74 C ATOM 839 O LEU A 50 26.146 2.233 -3.187 1.00 73.63 O ATOM 840 CB LEU A 50 29.061 2.655 -1.749 1.00 82.39 C ATOM 841 CG LEU A 50 28.746 4.049 -2.299 1.00116.72 C ATOM 842 CD1 LEU A 50 27.808 4.798 -1.362 1.00238.30 C ATOM 843 CD2 LEU A 50 30.029 4.839 -2.512 1.00212.40 C ATOM 0 H LEU A 50 29.287 0.370 -0.872 1.00 62.68 H new ATOM 0 HA LEU A 50 27.154 2.182 -0.872 1.00 69.31 H new ATOM 0 HB2 LEU A 50 29.554 2.767 -0.783 1.00 82.39 H new ATOM 0 HB3 LEU A 50 29.774 2.172 -2.417 1.00 82.39 H new ATOM 0 HG LEU A 50 28.247 3.933 -3.261 1.00116.72 H new ATOM 0 HD11 LEU A 50 27.597 5.786 -1.772 1.00238.30 H new ATOM 0 HD12 LEU A 50 26.876 4.242 -1.259 1.00238.30 H new ATOM 0 HD13 LEU A 50 28.278 4.903 -0.384 1.00238.30 H new ATOM 0 HD21 LEU A 50 29.787 5.827 -2.903 1.00212.40 H new ATOM 0 HD22 LEU A 50 30.554 4.943 -1.562 1.00212.40 H new ATOM 0 HD23 LEU A 50 30.666 4.313 -3.223 1.00212.40 H new ATOM 855 N TYR A 51 27.614 0.612 -3.734 1.00 75.10 N ATOM 856 CA TYR A 51 26.990 0.336 -5.029 1.00 85.35 C ATOM 857 C TYR A 51 25.548 -0.132 -4.835 1.00 79.83 C ATOM 858 O TYR A 51 24.651 0.254 -5.589 1.00 87.67 O ATOM 859 CB TYR A 51 27.782 -0.731 -5.792 1.00 99.89 C ATOM 860 CG TYR A 51 29.012 -0.201 -6.499 1.00148.88 C ATOM 861 CD1 TYR A 51 30.203 0.005 -5.811 1.00210.99 C ATOM 862 CD2 TYR A 51 28.984 0.082 -7.858 1.00198.78 C ATOM 863 CE1 TYR A 51 31.326 0.481 -6.459 1.00319.60 C ATOM 864 CE2 TYR A 51 30.103 0.559 -8.512 1.00303.12 C ATOM 865 CZ TYR A 51 31.272 0.757 -7.809 1.00362.33 C ATOM 866 OH TYR A 51 32.388 1.230 -8.457 1.00526.93 O ATOM 0 H TYR A 51 28.434 0.041 -3.530 1.00 75.10 H new ATOM 0 HA TYR A 51 26.990 1.258 -5.611 1.00 85.35 H new ATOM 0 HB2 TYR A 51 28.085 -1.511 -5.094 1.00 99.89 H new ATOM 0 HB3 TYR A 51 27.127 -1.198 -6.527 1.00 99.89 H new ATOM 0 HD1 TYR A 51 30.250 -0.211 -4.754 1.00210.99 H new ATOM 0 HD2 TYR A 51 28.071 -0.074 -8.414 1.00198.78 H new ATOM 0 HE1 TYR A 51 32.243 0.636 -5.910 1.00319.60 H new ATOM 0 HE2 TYR A 51 30.062 0.776 -9.569 1.00303.12 H new ATOM 0 HH TYR A 51 32.181 1.372 -9.404 1.00526.93 H new ATOM 876 N PHE A 52 25.339 -0.968 -3.820 1.00 73.80 N ATOM 877 CA PHE A 52 24.008 -1.476 -3.491 1.00 78.52 C ATOM 878 C PHE A 52 23.114 -0.330 -3.019 1.00 77.09 C ATOM 879 O PHE A 52 21.934 -0.254 -3.370 1.00 86.78 O ATOM 880 CB PHE A 52 24.104 -2.561 -2.414 1.00 81.58 C ATOM 881 CG PHE A 52 22.801 -3.254 -2.126 1.00 88.24 C ATOM 882 CD1 PHE A 52 22.327 -4.242 -2.972 1.00 96.73 C ATOM 883 CD2 PHE A 52 22.053 -2.919 -1.007 1.00114.33 C ATOM 884 CE1 PHE A 52 21.132 -4.886 -2.710 1.00134.05 C ATOM 885 CE2 PHE A 52 20.857 -3.557 -0.740 1.00151.49 C ATOM 886 CZ PHE A 52 20.396 -4.542 -1.592 1.00162.88 C ATOM 0 H PHE A 52 26.079 -1.310 -3.207 1.00 73.80 H new ATOM 0 HA PHE A 52 23.567 -1.918 -4.385 1.00 78.52 H new ATOM 0 HB2 PHE A 52 24.838 -3.304 -2.726 1.00 81.58 H new ATOM 0 HB3 PHE A 52 24.476 -2.112 -1.493 1.00 81.58 H new ATOM 0 HD1 PHE A 52 22.898 -4.513 -3.848 1.00 96.73 H new ATOM 0 HD2 PHE A 52 22.410 -2.151 -0.337 1.00114.33 H new ATOM 0 HE1 PHE A 52 20.774 -5.656 -3.377 1.00134.05 H new ATOM 0 HE2 PHE A 52 20.283 -3.286 0.134 1.00151.49 H new ATOM 0 HZ PHE A 52 19.462 -5.043 -1.385 1.00162.88 H new ATOM 896 N VAL A 53 23.700 0.564 -2.217 1.00 72.38 N ATOM 897 CA VAL A 53 22.991 1.726 -1.686 1.00 78.11 C ATOM 898 C VAL A 53 22.496 2.625 -2.817 1.00 78.26 C ATOM 899 O VAL A 53 21.376 3.137 -2.766 1.00 82.85 O ATOM 900 CB VAL A 53 23.894 2.547 -0.735 1.00 88.71 C ATOM 901 CG1 VAL A 53 23.241 3.873 -0.363 1.00139.01 C ATOM 902 CG2 VAL A 53 24.222 1.744 0.516 1.00 99.39 C ATOM 0 H VAL A 53 24.674 0.501 -1.920 1.00 72.38 H new ATOM 0 HA VAL A 53 22.135 1.354 -1.123 1.00 78.11 H new ATOM 0 HB VAL A 53 24.823 2.766 -1.261 1.00 88.71 H new ATOM 0 HG11 VAL A 53 23.899 4.428 0.306 1.00139.01 H new ATOM 0 HG12 VAL A 53 23.065 4.458 -1.266 1.00139.01 H new ATOM 0 HG13 VAL A 53 22.291 3.683 0.137 1.00139.01 H new ATOM 0 HG21 VAL A 53 24.858 2.337 1.173 1.00 99.39 H new ATOM 0 HG22 VAL A 53 23.299 1.489 1.037 1.00 99.39 H new ATOM 0 HG23 VAL A 53 24.744 0.829 0.235 1.00 99.39 H new ATOM 912 N ASN A 54 23.335 2.810 -3.834 1.00 78.13 N ATOM 913 CA ASN A 54 22.982 3.645 -4.979 1.00 83.25 C ATOM 914 C ASN A 54 21.725 3.112 -5.666 1.00 84.63 C ATOM 915 O ASN A 54 20.840 3.885 -6.041 1.00 86.92 O ATOM 916 CB ASN A 54 24.147 3.699 -5.971 1.00 91.85 C ATOM 917 CG ASN A 54 23.960 4.761 -7.040 1.00 96.19 C ATOM 918 OD1 ASN A 54 23.373 5.813 -6.793 1.00198.61 O ATOM 919 ND2 ASN A 54 24.465 4.491 -8.236 1.00192.41 N ATOM 0 H ASN A 54 24.264 2.393 -3.888 1.00 78.13 H new ATOM 0 HA ASN A 54 22.777 4.654 -4.622 1.00 83.25 H new ATOM 0 HB2 ASN A 54 25.072 3.895 -5.428 1.00 91.85 H new ATOM 0 HB3 ASN A 54 24.258 2.725 -6.448 1.00 91.85 H new ATOM 0 HD21 ASN A 54 24.374 5.169 -8.993 1.00192.41 H new ATOM 0 HD22 ASN A 54 24.945 3.606 -8.399 1.00192.41 H new ATOM 926 N ARG A 55 21.646 1.789 -5.829 1.00 88.50 N ATOM 927 CA ARG A 55 20.477 1.171 -6.448 1.00 98.75 C ATOM 928 C ARG A 55 19.237 1.379 -5.578 1.00 97.79 C ATOM 929 O ARG A 55 18.153 1.674 -6.084 1.00101.21 O ATOM 930 CB ARG A 55 20.697 -0.329 -6.665 1.00116.41 C ATOM 931 CG ARG A 55 21.737 -0.659 -7.724 1.00288.25 C ATOM 932 CD ARG A 55 21.739 -2.147 -8.044 1.00341.30 C ATOM 933 NE ARG A 55 22.743 -2.501 -9.044 1.00604.73 N ATOM 934 CZ ARG A 55 23.976 -2.901 -8.746 1.00899.45 C ATOM 935 NH1 ARG A 55 24.358 -2.998 -7.478 1.00985.87 N1+ ATOM 936 NH2 ARG A 55 24.828 -3.207 -9.716 1.00999.99 N ATOM 0 H ARG A 55 22.372 1.132 -5.543 1.00 88.50 H new ATOM 0 HA ARG A 55 20.325 1.649 -7.416 1.00 98.75 H new ATOM 0 HB2 ARG A 55 21.000 -0.781 -5.721 1.00116.41 H new ATOM 0 HB3 ARG A 55 19.749 -0.787 -6.947 1.00116.41 H new ATOM 0 HG2 ARG A 55 21.531 -0.089 -8.630 1.00288.25 H new ATOM 0 HG3 ARG A 55 22.725 -0.357 -7.375 1.00288.25 H new ATOM 0 HD2 ARG A 55 21.925 -2.712 -7.131 1.00341.30 H new ATOM 0 HD3 ARG A 55 20.753 -2.440 -8.404 1.00341.30 H new ATOM 0 HE ARG A 55 22.483 -2.438 -10.028 1.00604.73 H new ATOM 0 HH11 ARG A 55 23.705 -2.766 -6.730 1.00985.87 H new ATOM 0 HH12 ARG A 55 25.304 -3.305 -7.252 1.00985.87 H new ATOM 0 HH21 ARG A 55 24.538 -3.136 -10.691 1.00999.99 H new ATOM 0 HH22 ARG A 55 25.773 -3.514 -9.487 1.00999.99 H new ATOM 950 N ARG A 56 19.414 1.225 -4.263 1.00 98.41 N ATOM 951 CA ARG A 56 18.325 1.403 -3.302 1.00106.42 C ATOM 952 C ARG A 56 17.819 2.845 -3.323 1.00100.09 C ATOM 953 O ARG A 56 16.610 3.094 -3.309 1.00108.57 O ATOM 954 CB ARG A 56 18.798 1.025 -1.893 1.00116.55 C ATOM 955 CG ARG A 56 17.712 1.125 -0.831 1.00185.66 C ATOM 956 CD ARG A 56 18.227 0.691 0.533 1.00266.48 C ATOM 957 NE ARG A 56 17.199 0.801 1.565 1.00347.92 N ATOM 958 CZ ARG A 56 17.394 0.475 2.840 1.00504.69 C ATOM 959 NH1 ARG A 56 18.575 0.019 3.238 1.00659.58 N1+ ATOM 960 NH2 ARG A 56 16.407 0.607 3.717 1.00799.65 N ATOM 0 H ARG A 56 20.307 0.976 -3.839 1.00 98.41 H new ATOM 0 HA ARG A 56 17.502 0.747 -3.585 1.00106.42 H new ATOM 0 HB2 ARG A 56 19.183 0.005 -1.911 1.00116.55 H new ATOM 0 HB3 ARG A 56 19.628 1.674 -1.613 1.00116.55 H new ATOM 0 HG2 ARG A 56 17.349 2.151 -0.775 1.00185.66 H new ATOM 0 HG3 ARG A 56 16.864 0.503 -1.116 1.00185.66 H new ATOM 0 HD2 ARG A 56 18.577 -0.340 0.478 1.00266.48 H new ATOM 0 HD3 ARG A 56 19.085 1.304 0.809 1.00266.48 H new ATOM 0 HE ARG A 56 16.279 1.148 1.293 1.00347.92 H new ATOM 0 HH11 ARG A 56 19.336 -0.082 2.566 1.00659.58 H new ATOM 0 HH12 ARG A 56 18.722 -0.230 4.216 1.00659.58 H new ATOM 0 HH21 ARG A 56 15.499 0.958 3.414 1.00799.65 H new ATOM 0 HH22 ARG A 56 16.557 0.357 4.695 1.00799.65 H new ATOM 974 N TYR A 57 18.759 3.786 -3.353 1.00 92.07 N ATOM 975 CA TYR A 57 18.436 5.208 -3.390 1.00 93.10 C ATOM 976 C TYR A 57 17.611 5.550 -4.626 1.00 88.78 C ATOM 977 O TYR A 57 16.585 6.226 -4.529 1.00 94.67 O ATOM 978 CB TYR A 57 19.716 6.052 -3.362 1.00 97.74 C ATOM 979 CG TYR A 57 19.476 7.524 -3.617 1.00101.00 C ATOM 980 CD1 TYR A 57 18.894 8.335 -2.651 1.00118.80 C ATOM 981 CD2 TYR A 57 19.820 8.098 -4.836 1.00 98.55 C ATOM 982 CE1 TYR A 57 18.661 9.675 -2.892 1.00134.59 C ATOM 983 CE2 TYR A 57 19.594 9.438 -5.083 1.00109.80 C ATOM 984 CZ TYR A 57 19.012 10.220 -4.110 1.00127.99 C ATOM 985 OH TYR A 57 18.779 11.552 -4.354 1.00151.58 O ATOM 0 H TYR A 57 19.759 3.586 -3.352 1.00 92.07 H new ATOM 0 HA TYR A 57 17.842 5.439 -2.506 1.00 93.10 H new ATOM 0 HB2 TYR A 57 20.198 5.934 -2.392 1.00 97.74 H new ATOM 0 HB3 TYR A 57 20.410 5.670 -4.111 1.00 97.74 H new ATOM 0 HD1 TYR A 57 18.619 7.911 -1.696 1.00118.80 H new ATOM 0 HD2 TYR A 57 20.272 7.486 -5.603 1.00 98.55 H new ATOM 0 HE1 TYR A 57 18.207 10.293 -2.131 1.00134.59 H new ATOM 0 HE2 TYR A 57 19.872 9.870 -6.033 1.00109.80 H new ATOM 0 HH TYR A 57 18.828 12.052 -3.513 1.00151.58 H new ATOM 995 N MET A 58 18.062 5.082 -5.787 1.00 85.58 N ATOM 996 CA MET A 58 17.363 5.352 -7.037 1.00 88.65 C ATOM 997 C MET A 58 15.948 4.778 -7.011 1.00 92.75 C ATOM 998 O MET A 58 14.998 5.449 -7.410 1.00 94.75 O ATOM 999 CB MET A 58 18.145 4.777 -8.226 1.00 98.54 C ATOM 1000 CG MET A 58 17.541 5.118 -9.582 1.00121.45 C ATOM 1001 SD MET A 58 16.280 3.944 -10.124 1.00168.43 S ATOM 1002 CE MET A 58 17.294 2.583 -10.692 1.00126.04 C ATOM 0 H MET A 58 18.905 4.516 -5.887 1.00 85.58 H new ATOM 0 HA MET A 58 17.291 6.433 -7.153 1.00 88.65 H new ATOM 0 HB2 MET A 58 19.168 5.150 -8.190 1.00 98.54 H new ATOM 0 HB3 MET A 58 18.197 3.693 -8.124 1.00 98.54 H new ATOM 0 HG2 MET A 58 17.102 6.115 -9.535 1.00121.45 H new ATOM 0 HG3 MET A 58 18.336 5.154 -10.326 1.00121.45 H new ATOM 0 HE1 MET A 58 16.787 2.066 -11.507 1.00126.04 H new ATOM 0 HE2 MET A 58 18.252 2.965 -11.045 1.00126.04 H new ATOM 0 HE3 MET A 58 17.462 1.887 -9.870 1.00126.04 H new ATOM 1012 N GLN A 59 15.810 3.545 -6.524 1.00100.87 N ATOM 1013 CA GLN A 59 14.505 2.884 -6.467 1.00116.67 C ATOM 1014 C GLN A 59 13.521 3.630 -5.566 1.00119.74 C ATOM 1015 O GLN A 59 12.358 3.802 -5.928 1.00129.32 O ATOM 1016 CB GLN A 59 14.657 1.444 -5.974 1.00136.14 C ATOM 1017 CG GLN A 59 15.343 0.524 -6.969 1.00224.10 C ATOM 1018 CD GLN A 59 15.453 -0.900 -6.461 1.00331.95 C ATOM 1019 OE1 GLN A 59 14.504 -1.443 -5.897 1.00419.53 O ATOM 1020 NE2 GLN A 59 16.612 -1.513 -6.661 1.00530.56 N ATOM 0 H GLN A 59 16.583 2.985 -6.164 1.00100.87 H new ATOM 0 HA GLN A 59 14.102 2.886 -7.480 1.00116.67 H new ATOM 0 HB2 GLN A 59 15.226 1.446 -5.044 1.00136.14 H new ATOM 0 HB3 GLN A 59 13.670 1.043 -5.743 1.00136.14 H new ATOM 0 HG2 GLN A 59 14.788 0.530 -7.907 1.00224.10 H new ATOM 0 HG3 GLN A 59 16.340 0.907 -7.186 1.00224.10 H new ATOM 0 HE21 GLN A 59 17.373 -1.024 -7.133 1.00530.56 H new ATOM 0 HE22 GLN A 59 16.743 -2.473 -6.342 1.00530.56 H new ATOM 1029 N THR A 60 13.984 4.080 -4.403 1.00119.28 N ATOM 1030 CA THR A 60 13.115 4.803 -3.477 1.00133.33 C ATOM 1031 C THR A 60 12.782 6.202 -3.995 1.00123.04 C ATOM 1032 O THR A 60 11.642 6.658 -3.882 1.00131.40 O ATOM 1033 CB THR A 60 13.738 4.897 -2.067 1.00155.64 C ATOM 1034 OG1 THR A 60 15.048 5.472 -2.138 1.00210.19 O ATOM 1035 CG2 THR A 60 13.818 3.524 -1.417 1.00293.49 C ATOM 0 H THR A 60 14.944 3.959 -4.081 1.00119.28 H new ATOM 0 HA THR A 60 12.189 4.232 -3.406 1.00133.33 H new ATOM 0 HB THR A 60 13.097 5.536 -1.459 1.00155.64 H new ATOM 0 HG1 THR A 60 15.687 4.794 -2.441 1.00210.19 H new ATOM 0 HG21 THR A 60 14.260 3.616 -0.425 1.00293.49 H new ATOM 0 HG22 THR A 60 12.816 3.104 -1.330 1.00293.49 H new ATOM 0 HG23 THR A 60 14.435 2.867 -2.030 1.00293.49 H new ATOM 1043 N HIS A 61 13.781 6.879 -4.560 1.00113.35 N ATOM 1044 CA HIS A 61 13.589 8.218 -5.116 1.00115.98 C ATOM 1045 C HIS A 61 12.600 8.168 -6.285 1.00107.49 C ATOM 1046 O HIS A 61 11.671 8.974 -6.370 1.00114.22 O ATOM 1047 CB HIS A 61 14.940 8.790 -5.570 1.00122.87 C ATOM 1048 CG HIS A 61 14.885 10.206 -6.062 1.00131.92 C ATOM 1049 ND1 HIS A 61 14.677 11.296 -5.243 1.00275.05 N ATOM 1050 CD2 HIS A 61 15.041 10.706 -7.314 1.00279.92 C ATOM 1051 CE1 HIS A 61 14.712 12.396 -6.006 1.00359.22 C ATOM 1052 NE2 HIS A 61 14.932 12.092 -7.272 1.00383.72 N ATOM 0 H HIS A 61 14.733 6.522 -4.645 1.00113.35 H new ATOM 0 HA HIS A 61 13.175 8.870 -4.347 1.00115.98 H new ATOM 0 HB2 HIS A 61 15.641 8.736 -4.737 1.00122.87 H new ATOM 0 HB3 HIS A 61 15.339 8.159 -6.364 1.00122.87 H new ATOM 0 HD2 HIS A 61 15.221 10.120 -8.203 1.00279.92 H new ATOM 0 HE1 HIS A 61 14.578 13.401 -5.634 1.00359.22 H new ATOM 0 HE2 HIS A 61 15.007 12.739 -8.057 1.00383.72 H new ATOM 1060 N TRP A 62 12.817 7.199 -7.173 1.00103.09 N ATOM 1061 CA TRP A 62 11.971 6.996 -8.348 1.00108.22 C ATOM 1062 C TRP A 62 10.539 6.619 -7.960 1.00109.99 C ATOM 1063 O TRP A 62 9.585 7.070 -8.591 1.00109.87 O ATOM 1064 CB TRP A 62 12.590 5.933 -9.267 1.00127.48 C ATOM 1065 CG TRP A 62 11.790 5.653 -10.502 1.00133.67 C ATOM 1066 CD1 TRP A 62 11.296 4.444 -10.900 1.00247.58 C ATOM 1067 CD2 TRP A 62 11.369 6.604 -11.492 1.00179.60 C ATOM 1068 NE1 TRP A 62 10.611 4.579 -12.082 1.00312.83 N ATOM 1069 CE2 TRP A 62 10.636 5.897 -12.463 1.00226.72 C ATOM 1070 CE3 TRP A 62 11.543 7.981 -11.652 1.00343.23 C ATOM 1071 CZ2 TRP A 62 10.079 6.521 -13.575 1.00315.75 C ATOM 1072 CZ3 TRP A 62 10.987 8.600 -12.756 1.00497.00 C ATOM 1073 CH2 TRP A 62 10.264 7.870 -13.705 1.00423.30 C ATOM 0 H TRP A 62 13.585 6.532 -7.098 1.00103.09 H new ATOM 0 HA TRP A 62 11.916 7.940 -8.890 1.00108.22 H new ATOM 0 HB2 TRP A 62 13.589 6.258 -9.560 1.00127.48 H new ATOM 0 HB3 TRP A 62 12.708 5.006 -8.705 1.00127.48 H new ATOM 0 HD1 TRP A 62 11.425 3.516 -10.363 1.00247.58 H new ATOM 0 HE1 TRP A 62 10.157 3.822 -12.594 1.00312.83 H new ATOM 0 HE3 TRP A 62 12.102 8.552 -10.926 1.00343.23 H new ATOM 0 HZ2 TRP A 62 9.520 5.960 -14.310 1.00315.75 H new ATOM 0 HZ3 TRP A 62 11.113 9.664 -12.888 1.00497.00 H new ATOM 0 HH2 TRP A 62 9.843 8.382 -14.558 1.00423.30 H new ATOM 1084 N ALA A 63 10.397 5.797 -6.918 1.00122.59 N ATOM 1085 CA ALA A 63 9.081 5.348 -6.457 1.00140.54 C ATOM 1086 C ALA A 63 8.175 6.525 -6.100 1.00132.51 C ATOM 1087 O ALA A 63 6.972 6.488 -6.363 1.00138.48 O ATOM 1088 CB ALA A 63 9.225 4.419 -5.264 1.00177.00 C ATOM 0 H ALA A 63 11.179 5.428 -6.376 1.00122.59 H new ATOM 0 HA ALA A 63 8.614 4.805 -7.279 1.00140.54 H new ATOM 0 HB1 ALA A 63 8.238 4.095 -4.934 1.00177.00 H new ATOM 0 HB2 ALA A 63 9.816 3.549 -5.550 1.00177.00 H new ATOM 0 HB3 ALA A 63 9.724 4.946 -4.451 1.00177.00 H new ATOM 1094 N ASN A 64 8.749 7.558 -5.487 1.00130.71 N ATOM 1095 CA ASN A 64 7.983 8.749 -5.118 1.00142.85 C ATOM 1096 C ASN A 64 7.391 9.408 -6.367 1.00123.82 C ATOM 1097 O ASN A 64 6.228 9.813 -6.375 1.00135.07 O ATOM 1098 CB ASN A 64 8.881 9.744 -4.366 1.00164.43 C ATOM 1099 CG ASN A 64 8.150 11.005 -3.931 1.00265.68 C ATOM 1100 OD1 ASN A 64 7.741 11.154 -2.758 1.00385.44 O ATOM 1101 ND2 ASN A 64 7.987 11.938 -4.863 1.00478.76 N ATOM 0 H ASN A 64 9.737 7.596 -5.236 1.00130.71 H new ATOM 0 HA ASN A 64 7.165 8.450 -4.462 1.00142.85 H new ATOM 0 HB2 ASN A 64 9.299 9.253 -3.487 1.00164.43 H new ATOM 0 HB3 ASN A 64 9.719 10.021 -5.005 1.00164.43 H new ATOM 0 HD21 ASN A 64 7.515 12.812 -4.632 1.00478.76 H new ATOM 0 HD22 ASN A 64 8.334 11.780 -5.809 1.00478.76 H new ATOM 1108 N TYR A 65 8.206 9.517 -7.415 1.00107.76 N ATOM 1109 CA TYR A 65 7.773 10.117 -8.677 1.00105.48 C ATOM 1110 C TYR A 65 6.781 9.215 -9.407 1.00 96.64 C ATOM 1111 O TYR A 65 5.851 9.703 -10.053 1.00 99.98 O ATOM 1112 CB TYR A 65 8.979 10.413 -9.570 1.00113.05 C ATOM 1113 CG TYR A 65 9.818 11.573 -9.081 1.00145.73 C ATOM 1114 CD1 TYR A 65 10.882 11.369 -8.211 1.00232.85 C ATOM 1115 CD2 TYR A 65 9.542 12.874 -9.485 1.00235.47 C ATOM 1116 CE1 TYR A 65 11.644 12.427 -7.757 1.00386.18 C ATOM 1117 CE2 TYR A 65 10.303 13.936 -9.038 1.00391.55 C ATOM 1118 CZ TYR A 65 11.352 13.708 -8.173 1.00454.97 C ATOM 1119 OH TYR A 65 12.110 14.764 -7.724 1.00727.09 O ATOM 0 H TYR A 65 9.174 9.196 -7.415 1.00107.76 H new ATOM 0 HA TYR A 65 7.268 11.055 -8.445 1.00105.48 H new ATOM 0 HB2 TYR A 65 9.604 9.522 -9.631 1.00113.05 H new ATOM 0 HB3 TYR A 65 8.630 10.627 -10.580 1.00113.05 H new ATOM 0 HD1 TYR A 65 11.117 10.367 -7.885 1.00232.85 H new ATOM 0 HD2 TYR A 65 8.719 13.057 -10.160 1.00235.47 H new ATOM 0 HE1 TYR A 65 12.466 12.251 -7.078 1.00386.18 H new ATOM 0 HE2 TYR A 65 10.077 14.940 -9.364 1.00391.55 H new ATOM 0 HH TYR A 65 11.773 15.598 -8.113 1.00727.09 H new ATOM 1129 N MET A 66 6.999 7.901 -9.307 1.00100.31 N ATOM 1130 CA MET A 66 6.127 6.905 -9.939 1.00109.39 C ATOM 1131 C MET A 66 4.661 7.120 -9.593 1.00 98.69 C ATOM 1132 O MET A 66 3.787 6.875 -10.421 1.00 95.47 O ATOM 1133 CB MET A 66 6.537 5.488 -9.541 1.00145.18 C ATOM 1134 CG MET A 66 7.706 4.947 -10.344 1.00219.57 C ATOM 1135 SD MET A 66 7.324 4.813 -12.102 1.00467.34 S ATOM 1136 CE MET A 66 6.033 3.571 -12.083 1.00664.46 C ATOM 0 H MET A 66 7.780 7.498 -8.789 1.00100.31 H new ATOM 0 HA MET A 66 6.245 7.031 -11.015 1.00109.39 H new ATOM 0 HB2 MET A 66 6.798 5.478 -8.483 1.00145.18 H new ATOM 0 HB3 MET A 66 5.683 4.823 -9.665 1.00145.18 H new ATOM 0 HG2 MET A 66 8.569 5.600 -10.210 1.00219.57 H new ATOM 0 HG3 MET A 66 7.986 3.966 -9.959 1.00219.57 H new ATOM 0 HE1 MET A 66 6.082 2.981 -12.998 1.00664.46 H new ATOM 0 HE2 MET A 66 6.170 2.917 -11.222 1.00664.46 H new ATOM 0 HE3 MET A 66 5.060 4.058 -12.017 1.00664.46 H new ATOM 1146 N LEU A 67 4.396 7.565 -8.369 1.00106.10 N ATOM 1147 CA LEU A 67 3.027 7.802 -7.927 1.00116.66 C ATOM 1148 C LEU A 67 2.331 8.833 -8.815 1.00108.80 C ATOM 1149 O LEU A 67 1.227 8.596 -9.303 1.00118.57 O ATOM 1150 CB LEU A 67 3.034 8.291 -6.475 1.00148.14 C ATOM 1151 CG LEU A 67 1.667 8.668 -5.903 1.00211.08 C ATOM 1152 CD1 LEU A 67 0.741 7.463 -5.892 1.00447.74 C ATOM 1153 CD2 LEU A 67 1.819 9.248 -4.505 1.00275.63 C ATOM 0 H LEU A 67 5.109 7.768 -7.668 1.00106.10 H new ATOM 0 HA LEU A 67 2.476 6.864 -7.999 1.00116.66 H new ATOM 0 HB2 LEU A 67 3.468 7.511 -5.849 1.00148.14 H new ATOM 0 HB3 LEU A 67 3.690 9.159 -6.405 1.00148.14 H new ATOM 0 HG LEU A 67 1.222 9.430 -6.542 1.00211.08 H new ATOM 0 HD11 LEU A 67 -0.227 7.751 -5.481 1.00447.74 H new ATOM 0 HD12 LEU A 67 0.609 7.097 -6.910 1.00447.74 H new ATOM 0 HD13 LEU A 67 1.176 6.675 -5.277 1.00447.74 H new ATOM 0 HD21 LEU A 67 0.837 9.511 -4.112 1.00275.63 H new ATOM 0 HD22 LEU A 67 2.285 8.509 -3.853 1.00275.63 H new ATOM 0 HD23 LEU A 67 2.444 10.140 -4.547 1.00275.63 H new ATOM 1165 N TRP A 68 2.990 9.966 -9.031 1.00106.53 N ATOM 1166 CA TRP A 68 2.435 11.026 -9.866 1.00124.45 C ATOM 1167 C TRP A 68 2.394 10.614 -11.334 1.00115.98 C ATOM 1168 O TRP A 68 1.430 10.904 -12.045 1.00137.68 O ATOM 1169 CB TRP A 68 3.251 12.309 -9.701 1.00141.87 C ATOM 1170 CG TRP A 68 3.019 12.983 -8.383 1.00235.50 C ATOM 1171 CD1 TRP A 68 3.818 12.919 -7.277 1.00490.24 C ATOM 1172 CD2 TRP A 68 1.910 13.816 -8.030 1.00400.41 C ATOM 1173 NE1 TRP A 68 3.273 13.662 -6.258 1.00738.82 N ATOM 1174 CE2 TRP A 68 2.102 14.223 -6.696 1.00651.44 C ATOM 1175 CE3 TRP A 68 0.773 14.258 -8.712 1.00657.26 C ATOM 1176 CZ2 TRP A 68 1.199 15.051 -6.032 1.00999.99 C ATOM 1177 CZ3 TRP A 68 -0.122 15.080 -8.052 1.00999.99 C ATOM 1178 CH2 TRP A 68 0.095 15.469 -6.725 1.00999.99 C ATOM 0 H TRP A 68 3.909 10.174 -8.640 1.00106.53 H new ATOM 0 HA TRP A 68 1.411 11.208 -9.540 1.00124.45 H new ATOM 0 HB2 TRP A 68 4.311 12.075 -9.802 1.00141.87 H new ATOM 0 HB3 TRP A 68 2.999 13.000 -10.506 1.00141.87 H new ATOM 0 HD1 TRP A 68 4.743 12.365 -7.213 1.00490.24 H new ATOM 0 HE1 TRP A 68 3.674 13.777 -5.327 1.00738.82 H new ATOM 0 HE3 TRP A 68 0.597 13.963 -9.736 1.00657.26 H new ATOM 0 HZ2 TRP A 68 1.364 15.352 -5.008 1.00999.99 H new ATOM 0 HZ3 TRP A 68 -1.004 15.428 -8.569 1.00999.99 H new ATOM 0 HH2 TRP A 68 -0.623 16.112 -6.238 1.00999.99 H new ATOM 1189 N ILE A 69 3.449 9.936 -11.779 1.00100.14 N ATOM 1190 CA ILE A 69 3.552 9.482 -13.163 1.00109.34 C ATOM 1191 C ILE A 69 2.474 8.447 -13.496 1.00 98.52 C ATOM 1192 O ILE A 69 1.809 8.542 -14.531 1.00102.48 O ATOM 1193 CB ILE A 69 4.953 8.886 -13.450 1.00126.71 C ATOM 1194 CG1 ILE A 69 6.036 9.955 -13.267 1.00180.43 C ATOM 1195 CG2 ILE A 69 5.022 8.298 -14.855 1.00229.70 C ATOM 1196 CD1 ILE A 69 5.877 11.157 -14.179 1.00398.95 C ATOM 0 H ILE A 69 4.249 9.688 -11.197 1.00100.14 H new ATOM 0 HA ILE A 69 3.401 10.355 -13.798 1.00109.34 H new ATOM 0 HB ILE A 69 5.129 8.081 -12.737 1.00126.71 H new ATOM 0 HG12 ILE A 69 6.026 10.294 -12.231 1.00180.43 H new ATOM 0 HG13 ILE A 69 7.012 9.503 -13.445 1.00180.43 H new ATOM 0 HG21 ILE A 69 6.016 7.887 -15.029 1.00229.70 H new ATOM 0 HG22 ILE A 69 4.279 7.506 -14.955 1.00229.70 H new ATOM 0 HG23 ILE A 69 4.819 9.080 -15.587 1.00229.70 H new ATOM 0 HD11 ILE A 69 6.682 11.867 -13.988 1.00398.95 H new ATOM 0 HD12 ILE A 69 5.918 10.833 -15.219 1.00398.95 H new ATOM 0 HD13 ILE A 69 4.917 11.636 -13.986 1.00398.95 H new ATOM 1208 N ASN A 70 2.294 7.472 -12.605 1.00 98.70 N ATOM 1209 CA ASN A 70 1.305 6.415 -12.805 1.00108.34 C ATOM 1210 C ASN A 70 -0.111 6.986 -12.863 1.00120.06 C ATOM 1211 O ASN A 70 -0.911 6.586 -13.707 1.00131.59 O ATOM 1212 CB ASN A 70 1.403 5.375 -11.685 1.00133.91 C ATOM 1213 CG ASN A 70 0.663 4.090 -12.010 1.00223.62 C ATOM 1214 OD1 ASN A 70 0.660 3.634 -13.152 1.00293.89 O ATOM 1215 ND2 ASN A 70 0.039 3.496 -11.002 1.00366.97 N ATOM 0 H ASN A 70 2.822 7.393 -11.736 1.00 98.70 H new ATOM 0 HA ASN A 70 1.519 5.934 -13.760 1.00108.34 H new ATOM 0 HB2 ASN A 70 2.452 5.147 -11.497 1.00133.91 H new ATOM 0 HB3 ASN A 70 1.000 5.799 -10.765 1.00133.91 H new ATOM 0 HD21 ASN A 70 -0.469 2.626 -11.159 1.00366.97 H new ATOM 0 HD22 ASN A 70 0.067 3.909 -10.070 1.00366.97 H new ATOM 1222 N LYS A 71 -0.413 7.924 -11.962 1.00128.99 N ATOM 1223 CA LYS A 71 -1.735 8.548 -11.932 1.00158.88 C ATOM 1224 C LYS A 71 -1.999 9.327 -13.216 1.00165.29 C ATOM 1225 O LYS A 71 -3.100 9.270 -13.766 1.00199.45 O ATOM 1226 CB LYS A 71 -1.870 9.480 -10.724 1.00176.32 C ATOM 1227 CG LYS A 71 -1.962 8.752 -9.392 1.00189.37 C ATOM 1228 CD LYS A 71 -1.975 9.723 -8.220 1.00297.71 C ATOM 1229 CE LYS A 71 -3.259 10.543 -8.185 1.00468.76 C ATOM 1230 NZ LYS A 71 -3.311 11.446 -7.002 1.00709.01 N1+ ATOM 0 H LYS A 71 0.234 8.265 -11.251 1.00128.99 H new ATOM 0 HA LYS A 71 -2.474 7.752 -11.847 1.00158.88 H new ATOM 0 HB2 LYS A 71 -1.014 10.154 -10.700 1.00176.32 H new ATOM 0 HB3 LYS A 71 -2.759 10.098 -10.852 1.00176.32 H new ATOM 0 HG2 LYS A 71 -2.867 8.144 -9.371 1.00189.37 H new ATOM 0 HG3 LYS A 71 -1.117 8.070 -9.291 1.00189.37 H new ATOM 0 HD2 LYS A 71 -1.871 9.169 -7.287 1.00297.71 H new ATOM 0 HD3 LYS A 71 -1.117 10.392 -8.291 1.00297.71 H new ATOM 0 HE2 LYS A 71 -3.336 11.135 -9.097 1.00468.76 H new ATOM 0 HE3 LYS A 71 -4.118 9.872 -8.167 1.00468.76 H new ATOM 0 HZ1 LYS A 71 -3.972 12.226 -7.190 1.00709.01 H new ATOM 0 HZ2 LYS A 71 -3.634 10.911 -6.171 1.00709.01 H new ATOM 0 HZ3 LYS A 71 -2.363 11.832 -6.818 1.00709.01 H new ATOM 1244 N LYS A 72 -0.984 10.052 -13.690 1.00147.67 N ATOM 1245 CA LYS A 72 -1.104 10.839 -14.916 1.00167.79 C ATOM 1246 C LYS A 72 -1.373 9.934 -16.119 1.00155.98 C ATOM 1247 O LYS A 72 -2.265 10.207 -16.925 1.00185.51 O ATOM 1248 CB LYS A 72 0.172 11.657 -15.143 1.00170.64 C ATOM 1249 CG LYS A 72 0.127 12.544 -16.379 1.00316.84 C ATOM 1250 CD LYS A 72 1.406 13.352 -16.532 1.00381.24 C ATOM 1251 CE LYS A 72 1.348 14.264 -17.748 1.00594.12 C ATOM 1252 NZ LYS A 72 1.227 13.493 -19.016 1.00931.14 N1+ ATOM 0 H LYS A 72 -0.069 10.110 -13.242 1.00147.67 H new ATOM 0 HA LYS A 72 -1.948 11.520 -14.806 1.00167.79 H new ATOM 0 HB2 LYS A 72 0.352 12.281 -14.267 1.00170.64 H new ATOM 0 HB3 LYS A 72 1.018 10.975 -15.228 1.00170.64 H new ATOM 0 HG2 LYS A 72 -0.023 11.927 -17.265 1.00316.84 H new ATOM 0 HG3 LYS A 72 -0.726 13.220 -16.312 1.00316.84 H new ATOM 0 HD2 LYS A 72 1.569 13.950 -15.635 1.00381.24 H new ATOM 0 HD3 LYS A 72 2.256 12.676 -16.623 1.00381.24 H new ATOM 0 HE2 LYS A 72 0.500 14.942 -17.653 1.00594.12 H new ATOM 0 HE3 LYS A 72 2.246 14.880 -17.782 1.00594.12 H new ATOM 0 HZ1 LYS A 72 1.377 14.129 -19.825 1.00931.14 H new ATOM 0 HZ2 LYS A 72 1.941 12.737 -19.032 1.00931.14 H new ATOM 0 HZ3 LYS A 72 0.278 13.073 -19.078 1.00931.14 H new ATOM 1266 N ILE A 73 -0.597 8.857 -16.228 1.00124.40 N ATOM 1267 CA ILE A 73 -0.749 7.903 -17.324 1.00120.21 C ATOM 1268 C ILE A 73 -2.119 7.218 -17.268 1.00146.29 C ATOM 1269 O ILE A 73 -2.810 7.110 -18.283 1.00164.56 O ATOM 1270 CB ILE A 73 0.378 6.838 -17.297 1.00101.39 C ATOM 1271 CG1 ILE A 73 1.723 7.489 -17.629 1.00 92.06 C ATOM 1272 CG2 ILE A 73 0.082 5.704 -18.275 1.00111.59 C ATOM 1273 CD1 ILE A 73 2.919 6.597 -17.362 1.00175.26 C ATOM 0 H ILE A 73 0.145 8.623 -15.568 1.00124.40 H new ATOM 0 HA ILE A 73 -0.676 8.461 -18.257 1.00120.21 H new ATOM 0 HB ILE A 73 0.426 6.415 -16.294 1.00101.39 H new ATOM 0 HG12 ILE A 73 1.726 7.779 -18.680 1.00 92.06 H new ATOM 0 HG13 ILE A 73 1.827 8.404 -17.045 1.00 92.06 H new ATOM 0 HG21 ILE A 73 0.888 4.971 -18.236 1.00111.59 H new ATOM 0 HG22 ILE A 73 -0.858 5.225 -18.003 1.00111.59 H new ATOM 0 HG23 ILE A 73 0.005 6.106 -19.285 1.00111.59 H new ATOM 0 HD11 ILE A 73 3.834 7.128 -17.622 1.00175.26 H new ATOM 0 HD12 ILE A 73 2.943 6.327 -16.306 1.00175.26 H new ATOM 0 HD13 ILE A 73 2.841 5.693 -17.966 1.00175.26 H new ATOM 1285 N ASP A 74 -2.507 6.774 -16.073 1.00158.55 N ATOM 1286 CA ASP A 74 -3.791 6.098 -15.880 1.00202.00 C ATOM 1287 C ASP A 74 -4.967 7.015 -16.211 1.00242.74 C ATOM 1288 O ASP A 74 -5.913 6.597 -16.875 1.00281.70 O ATOM 1289 CB ASP A 74 -3.920 5.591 -14.441 1.00220.79 C ATOM 1290 CG ASP A 74 -5.201 4.814 -14.213 1.00329.98 C ATOM 1291 OD1 ASP A 74 -5.345 3.722 -14.802 1.00443.19 O ATOM 1292 OD2 ASP A 74 -6.059 5.295 -13.444 1.00427.10 O1- ATOM 0 H ASP A 74 -1.951 6.870 -15.223 1.00158.55 H new ATOM 0 HA ASP A 74 -3.818 5.251 -16.565 1.00202.00 H new ATOM 0 HB2 ASP A 74 -3.066 4.956 -14.205 1.00220.79 H new ATOM 0 HB3 ASP A 74 -3.886 6.438 -13.756 1.00220.79 H new ATOM 1297 N ALA A 75 -4.910 8.258 -15.731 1.00246.88 N ATOM 1298 CA ALA A 75 -5.978 9.225 -15.983 1.00303.14 C ATOM 1299 C ALA A 75 -6.114 9.537 -17.472 1.00309.74 C ATOM 1300 O ALA A 75 -7.224 9.670 -17.985 1.00366.44 O ATOM 1301 CB ALA A 75 -5.732 10.503 -15.196 1.00317.77 C ATOM 0 H ALA A 75 -4.139 8.617 -15.168 1.00246.88 H new ATOM 0 HA ALA A 75 -6.915 8.778 -15.650 1.00303.14 H new ATOM 0 HB1 ALA A 75 -6.535 11.213 -15.394 1.00317.77 H new ATOM 0 HB2 ALA A 75 -5.704 10.275 -14.131 1.00317.77 H new ATOM 0 HB3 ALA A 75 -4.780 10.939 -15.498 1.00317.77 H new ATOM 1307 N LEU A 76 -4.977 9.670 -18.156 1.00262.22 N ATOM 1308 CA LEU A 76 -4.970 9.949 -19.583 1.00269.91 C ATOM 1309 C LEU A 76 -5.502 8.748 -20.369 1.00268.22 C ATOM 1310 O LEU A 76 -6.306 8.895 -21.290 1.00302.70 O ATOM 1311 CB LEU A 76 -3.546 10.300 -20.026 1.00232.17 C ATOM 1312 CG LEU A 76 -3.382 10.616 -21.510 1.00295.01 C ATOM 1313 CD1 LEU A 76 -4.210 11.834 -21.898 1.00354.50 C ATOM 1314 CD2 LEU A 76 -1.915 10.834 -21.850 1.00386.93 C ATOM 0 H LEU A 76 -4.050 9.588 -17.739 1.00262.22 H new ATOM 0 HA LEU A 76 -5.625 10.797 -19.786 1.00269.91 H new ATOM 0 HB2 LEU A 76 -3.206 11.160 -19.449 1.00232.17 H new ATOM 0 HB3 LEU A 76 -2.890 9.467 -19.774 1.00232.17 H new ATOM 0 HG LEU A 76 -3.745 9.763 -22.083 1.00295.01 H new ATOM 0 HD11 LEU A 76 -4.078 12.041 -22.960 1.00354.50 H new ATOM 0 HD12 LEU A 76 -5.263 11.638 -21.695 1.00354.50 H new ATOM 0 HD13 LEU A 76 -3.883 12.696 -21.317 1.00354.50 H new ATOM 0 HD21 LEU A 76 -1.817 11.058 -22.912 1.00386.93 H new ATOM 0 HD22 LEU A 76 -1.526 11.668 -21.266 1.00386.93 H new ATOM 0 HD23 LEU A 76 -1.349 9.932 -21.616 1.00386.93 H new ATOM 1326 N GLY A 77 -5.031 7.560 -19.997 1.00237.46 N ATOM 1327 CA GLY A 77 -5.462 6.332 -20.646 1.00244.67 C ATOM 1328 C GLY A 77 -4.552 5.920 -21.787 1.00214.25 C ATOM 1329 O GLY A 77 -4.507 4.747 -22.161 1.00215.50 O ATOM 0 H GLY A 77 -4.351 7.425 -19.249 1.00237.46 H new ATOM 0 HA2 GLY A 77 -5.498 5.530 -19.909 1.00244.67 H new ATOM 0 HA3 GLY A 77 -6.476 6.463 -21.025 1.00244.67 H new ATOM 1333 N ARG A 78 -3.829 6.884 -22.344 1.00197.65 N ATOM 1334 CA ARG A 78 -2.905 6.620 -23.441 1.00177.49 C ATOM 1335 C ARG A 78 -1.625 5.965 -22.930 1.00145.33 C ATOM 1336 O ARG A 78 -1.128 6.312 -21.858 1.00130.99 O ATOM 1337 CB ARG A 78 -2.571 7.913 -24.186 1.00186.05 C ATOM 1338 CG ARG A 78 -3.772 8.554 -24.865 1.00259.99 C ATOM 1339 CD ARG A 78 -3.385 9.832 -25.595 1.00444.33 C ATOM 1340 NE ARG A 78 -2.494 9.575 -26.725 1.00529.49 N ATOM 1341 CZ ARG A 78 -2.914 9.186 -27.929 1.00845.06 C ATOM 1342 NH1 ARG A 78 -4.210 9.022 -28.164 1.00999.99 N1+ ATOM 1343 NH2 ARG A 78 -2.034 8.965 -28.898 1.00999.99 N ATOM 0 H ARG A 78 -3.865 7.861 -22.052 1.00197.65 H new ATOM 0 HA ARG A 78 -3.393 5.932 -24.132 1.00177.49 H new ATOM 0 HB2 ARG A 78 -2.139 8.626 -23.484 1.00186.05 H new ATOM 0 HB3 ARG A 78 -1.809 7.703 -24.937 1.00186.05 H new ATOM 0 HG2 ARG A 78 -4.211 7.849 -25.571 1.00259.99 H new ATOM 0 HG3 ARG A 78 -4.536 8.777 -24.120 1.00259.99 H new ATOM 0 HD2 ARG A 78 -4.286 10.332 -25.951 1.00444.33 H new ATOM 0 HD3 ARG A 78 -2.897 10.513 -24.898 1.00444.33 H new ATOM 0 HE ARG A 78 -1.492 9.701 -26.584 1.00529.49 H new ATOM 0 HH11 ARG A 78 -4.889 9.194 -27.422 1.00999.99 H new ATOM 0 HH12 ARG A 78 -4.527 8.724 -29.087 1.00999.99 H new ATOM 0 HH21 ARG A 78 -1.038 9.093 -28.721 1.00999.99 H new ATOM 0 HH22 ARG A 78 -2.354 8.667 -29.820 1.00999.99 H new ATOM 1357 N THR A 79 -1.095 5.020 -23.696 1.00147.30 N ATOM 1358 CA THR A 79 0.134 4.343 -23.311 1.00129.07 C ATOM 1359 C THR A 79 1.353 5.181 -23.689 1.00107.84 C ATOM 1360 O THR A 79 1.431 5.709 -24.800 1.00121.55 O ATOM 1361 CB THR A 79 0.240 2.959 -23.980 1.00153.24 C ATOM 1362 OG1 THR A 79 0.085 3.088 -25.398 1.00174.15 O ATOM 1363 CG2 THR A 79 -0.817 2.009 -23.433 1.00263.29 C ATOM 0 H THR A 79 -1.494 4.707 -24.581 1.00147.30 H new ATOM 0 HA THR A 79 0.108 4.210 -22.229 1.00129.07 H new ATOM 0 HB THR A 79 1.224 2.547 -23.758 1.00153.24 H new ATOM 0 HG1 THR A 79 0.155 2.205 -25.816 1.00174.15 H new ATOM 0 HG21 THR A 79 -0.722 1.039 -23.921 1.00263.29 H new ATOM 0 HG22 THR A 79 -0.678 1.890 -22.358 1.00263.29 H new ATOM 0 HG23 THR A 79 -1.809 2.417 -23.628 1.00263.29 H new ATOM 1371 N PRO A 80 2.323 5.316 -22.767 1.00105.89 N ATOM 1372 CA PRO A 80 3.544 6.093 -23.010 1.00 99.27 C ATOM 1373 C PRO A 80 4.523 5.379 -23.939 1.00 71.39 C ATOM 1374 O PRO A 80 4.511 4.153 -24.050 1.00 73.88 O ATOM 1375 CB PRO A 80 4.142 6.240 -21.611 1.00135.47 C ATOM 1376 CG PRO A 80 3.684 5.024 -20.885 1.00173.89 C ATOM 1377 CD PRO A 80 2.303 4.732 -21.408 1.00146.19 C ATOM 0 HA PRO A 80 3.333 7.040 -23.507 1.00 99.27 H new ATOM 0 HB2 PRO A 80 5.230 6.295 -21.647 1.00135.47 H new ATOM 0 HB3 PRO A 80 3.793 7.150 -21.123 1.00135.47 H new ATOM 0 HG2 PRO A 80 4.356 4.185 -21.064 1.00173.89 H new ATOM 0 HG3 PRO A 80 3.667 5.194 -19.808 1.00173.89 H new ATOM 0 HD2 PRO A 80 2.101 3.661 -21.433 1.00146.19 H new ATOM 0 HD3 PRO A 80 1.533 5.187 -20.786 1.00146.19 H new ATOM 1385 N VAL A 81 5.365 6.152 -24.614 1.00 74.50 N ATOM 1386 CA VAL A 81 6.362 5.585 -25.510 1.00 73.51 C ATOM 1387 C VAL A 81 7.733 5.579 -24.834 1.00 58.31 C ATOM 1388 O VAL A 81 7.975 6.353 -23.906 1.00 53.72 O ATOM 1389 CB VAL A 81 6.435 6.343 -26.855 1.00118.66 C ATOM 1390 CG1 VAL A 81 5.175 6.099 -27.672 1.00201.66 C ATOM 1391 CG2 VAL A 81 6.644 7.833 -26.633 1.00126.19 C ATOM 0 H VAL A 81 5.377 7.170 -24.558 1.00 74.50 H new ATOM 0 HA VAL A 81 6.059 4.561 -25.729 1.00 73.51 H new ATOM 0 HB VAL A 81 7.291 5.961 -27.411 1.00118.66 H new ATOM 0 HG11 VAL A 81 5.243 6.640 -28.616 1.00201.66 H new ATOM 0 HG12 VAL A 81 5.072 5.032 -27.872 1.00201.66 H new ATOM 0 HG13 VAL A 81 4.306 6.450 -27.115 1.00201.66 H new ATOM 0 HG21 VAL A 81 6.692 8.341 -27.596 1.00126.19 H new ATOM 0 HG22 VAL A 81 5.814 8.234 -26.052 1.00126.19 H new ATOM 0 HG23 VAL A 81 7.577 7.993 -26.092 1.00126.19 H new ATOM 1401 N VAL A 82 8.625 4.713 -25.312 1.00 61.16 N ATOM 1402 CA VAL A 82 9.965 4.585 -24.735 1.00 54.41 C ATOM 1403 C VAL A 82 10.751 5.898 -24.814 1.00 57.95 C ATOM 1404 O VAL A 82 11.378 6.308 -23.836 1.00 54.39 O ATOM 1405 CB VAL A 82 10.769 3.457 -25.432 1.00 69.04 C ATOM 1406 CG1 VAL A 82 12.222 3.450 -24.975 1.00 67.92 C ATOM 1407 CG2 VAL A 82 10.123 2.103 -25.176 1.00 81.09 C ATOM 0 H VAL A 82 8.445 4.088 -26.098 1.00 61.16 H new ATOM 0 HA VAL A 82 9.828 4.330 -23.684 1.00 54.41 H new ATOM 0 HB VAL A 82 10.756 3.652 -26.504 1.00 69.04 H new ATOM 0 HG11 VAL A 82 12.759 2.648 -25.482 1.00 67.92 H new ATOM 0 HG12 VAL A 82 12.685 4.407 -25.218 1.00 67.92 H new ATOM 0 HG13 VAL A 82 12.264 3.290 -23.898 1.00 67.92 H new ATOM 0 HG21 VAL A 82 10.701 1.324 -25.673 1.00 81.09 H new ATOM 0 HG22 VAL A 82 10.099 1.908 -24.104 1.00 81.09 H new ATOM 0 HG23 VAL A 82 9.106 2.105 -25.568 1.00 81.09 H new ATOM 1417 N GLY A 83 10.707 6.559 -25.971 1.00 75.64 N ATOM 1418 CA GLY A 83 11.436 7.809 -26.140 1.00 94.40 C ATOM 1419 C GLY A 83 10.988 8.908 -25.187 1.00 94.83 C ATOM 1420 O GLY A 83 11.821 9.603 -24.608 1.00106.63 O ATOM 0 H GLY A 83 10.183 6.254 -26.791 1.00 75.64 H new ATOM 0 HA2 GLY A 83 12.500 7.623 -25.992 1.00 94.40 H new ATOM 0 HA3 GLY A 83 11.313 8.156 -27.166 1.00 94.40 H new ATOM 1424 N ASP A 84 9.678 9.070 -25.027 1.00 92.18 N ATOM 1425 CA ASP A 84 9.139 10.093 -24.128 1.00102.40 C ATOM 1426 C ASP A 84 9.373 9.730 -22.663 1.00 86.66 C ATOM 1427 O ASP A 84 9.713 10.586 -21.849 1.00 97.33 O ATOM 1428 CB ASP A 84 7.644 10.307 -24.376 1.00115.37 C ATOM 1429 CG ASP A 84 7.104 11.515 -23.637 1.00251.00 C ATOM 1430 OD1 ASP A 84 7.544 12.643 -23.943 1.00343.77 O ATOM 1431 OD2 ASP A 84 6.234 11.331 -22.761 1.00397.23 O1- ATOM 0 H ASP A 84 8.971 8.511 -25.504 1.00 92.18 H new ATOM 0 HA ASP A 84 9.670 11.021 -24.342 1.00102.40 H new ATOM 0 HB2 ASP A 84 7.470 10.430 -25.445 1.00115.37 H new ATOM 0 HB3 ASP A 84 7.096 9.418 -24.064 1.00115.37 H new ATOM 1436 N TYR A 85 9.174 8.456 -22.337 1.00 69.93 N ATOM 1437 CA TYR A 85 9.348 7.971 -20.970 1.00 64.74 C ATOM 1438 C TYR A 85 10.805 8.076 -20.517 1.00 62.43 C ATOM 1439 O TYR A 85 11.082 8.426 -19.368 1.00 66.14 O ATOM 1440 CB TYR A 85 8.854 6.524 -20.855 1.00 61.79 C ATOM 1441 CG TYR A 85 8.747 6.034 -19.432 1.00 59.01 C ATOM 1442 CD1 TYR A 85 7.828 6.599 -18.557 1.00112.09 C ATOM 1443 CD2 TYR A 85 9.557 5.008 -18.961 1.00109.27 C ATOM 1444 CE1 TYR A 85 7.723 6.161 -17.252 1.00147.96 C ATOM 1445 CE2 TYR A 85 9.455 4.563 -17.658 1.00132.22 C ATOM 1446 CZ TYR A 85 8.538 5.143 -16.808 1.00117.15 C ATOM 1447 OH TYR A 85 8.438 4.711 -15.506 1.00176.41 O ATOM 0 H TYR A 85 8.891 7.738 -23.004 1.00 69.93 H new ATOM 0 HA TYR A 85 8.752 8.604 -20.312 1.00 64.74 H new ATOM 0 HB2 TYR A 85 7.878 6.443 -21.333 1.00 61.79 H new ATOM 0 HB3 TYR A 85 9.533 5.872 -21.405 1.00 61.79 H new ATOM 0 HD1 TYR A 85 7.185 7.394 -18.903 1.00112.09 H new ATOM 0 HD2 TYR A 85 10.277 4.552 -19.624 1.00109.27 H new ATOM 0 HE1 TYR A 85 7.006 6.614 -16.583 1.00147.96 H new ATOM 0 HE2 TYR A 85 10.091 3.764 -17.306 1.00132.22 H new ATOM 0 HH TYR A 85 8.600 3.745 -15.468 1.00176.41 H new ATOM 1457 N THR A 86 11.733 7.768 -21.424 1.00 61.53 N ATOM 1458 CA THR A 86 13.165 7.817 -21.123 1.00 68.56 C ATOM 1459 C THR A 86 13.617 9.229 -20.714 1.00 71.75 C ATOM 1460 O THR A 86 14.618 9.389 -20.014 1.00 78.21 O ATOM 1461 CB THR A 86 14.007 7.292 -22.316 1.00 77.74 C ATOM 1462 OG1 THR A 86 15.160 6.598 -21.828 1.00165.16 O ATOM 1463 CG2 THR A 86 14.447 8.413 -23.250 1.00224.32 C ATOM 0 H THR A 86 11.517 7.480 -22.378 1.00 61.53 H new ATOM 0 HA THR A 86 13.335 7.160 -20.270 1.00 68.56 H new ATOM 0 HB THR A 86 13.373 6.614 -22.887 1.00 77.74 H new ATOM 0 HG1 THR A 86 15.943 7.185 -21.882 1.00165.16 H new ATOM 0 HG21 THR A 86 15.033 7.995 -24.069 1.00224.32 H new ATOM 0 HG22 THR A 86 13.568 8.917 -23.653 1.00224.32 H new ATOM 0 HG23 THR A 86 15.055 9.130 -22.697 1.00224.32 H new ATOM 1471 N ARG A 87 12.867 10.245 -21.147 1.00 72.61 N ATOM 1472 CA ARG A 87 13.177 11.640 -20.823 1.00 82.36 C ATOM 1473 C ARG A 87 13.106 11.878 -19.314 1.00 77.36 C ATOM 1474 O ARG A 87 13.899 12.642 -18.757 1.00 84.58 O ATOM 1475 CB ARG A 87 12.211 12.582 -21.543 1.00 92.09 C ATOM 1476 CG ARG A 87 12.407 12.631 -23.050 1.00178.45 C ATOM 1477 CD ARG A 87 11.319 13.453 -23.722 1.00290.74 C ATOM 1478 NE ARG A 87 11.347 14.852 -23.299 1.00442.12 N ATOM 1479 CZ ARG A 87 10.380 15.723 -23.568 1.00719.49 C ATOM 1480 NH1 ARG A 87 9.296 15.334 -24.230 1.00915.94 N1+ ATOM 1481 NH2 ARG A 87 10.491 16.982 -23.163 1.00999.99 N ATOM 0 H ARG A 87 12.036 10.127 -21.726 1.00 72.61 H new ATOM 0 HA ARG A 87 14.193 11.846 -21.160 1.00 82.36 H new ATOM 0 HB2 ARG A 87 11.188 12.271 -21.329 1.00 92.09 H new ATOM 0 HB3 ARG A 87 12.329 13.587 -21.138 1.00 92.09 H new ATOM 0 HG2 ARG A 87 13.383 13.060 -23.278 1.00178.45 H new ATOM 0 HG3 ARG A 87 12.402 11.618 -23.453 1.00178.45 H new ATOM 0 HD2 ARG A 87 11.441 13.399 -24.804 1.00290.74 H new ATOM 0 HD3 ARG A 87 10.345 13.024 -23.489 1.00290.74 H new ATOM 0 HE ARG A 87 12.154 15.178 -22.767 1.00442.12 H new ATOM 0 HH11 ARG A 87 9.204 14.364 -24.533 1.00915.94 H new ATOM 0 HH12 ARG A 87 8.555 16.005 -24.435 1.00915.94 H new ATOM 0 HH21 ARG A 87 11.318 17.280 -22.646 1.00999.99 H new ATOM 0 HH22 ARG A 87 9.749 17.651 -23.369 1.00999.99 H new ATOM 1495 N LEU A 88 12.145 11.222 -18.666 1.00 69.60 N ATOM 1496 CA LEU A 88 11.949 11.348 -17.222 1.00 69.42 C ATOM 1497 C LEU A 88 13.179 10.866 -16.454 1.00 63.28 C ATOM 1498 O LEU A 88 13.565 11.458 -15.447 1.00 65.18 O ATOM 1499 CB LEU A 88 10.721 10.541 -16.784 1.00 73.41 C ATOM 1500 CG LEU A 88 9.371 11.094 -17.250 1.00 98.67 C ATOM 1501 CD1 LEU A 88 8.258 10.093 -16.970 1.00158.17 C ATOM 1502 CD2 LEU A 88 9.074 12.424 -16.572 1.00124.36 C ATOM 0 H LEU A 88 11.485 10.593 -19.122 1.00 69.60 H new ATOM 0 HA LEU A 88 11.792 12.403 -16.996 1.00 69.42 H new ATOM 0 HB2 LEU A 88 10.825 9.522 -17.157 1.00 73.41 H new ATOM 0 HB3 LEU A 88 10.715 10.483 -15.696 1.00 73.41 H new ATOM 0 HG LEU A 88 9.422 11.261 -18.326 1.00 98.67 H new ATOM 0 HD11 LEU A 88 7.306 10.503 -17.308 1.00158.17 H new ATOM 0 HD12 LEU A 88 8.462 9.164 -17.502 1.00158.17 H new ATOM 0 HD13 LEU A 88 8.208 9.895 -15.899 1.00158.17 H new ATOM 0 HD21 LEU A 88 8.111 12.801 -16.916 1.00124.36 H new ATOM 0 HD22 LEU A 88 9.044 12.283 -15.492 1.00124.36 H new ATOM 0 HD23 LEU A 88 9.855 13.142 -16.822 1.00124.36 H new ATOM 1514 N GLY A 89 13.786 9.785 -16.945 1.00 60.76 N ATOM 1515 CA GLY A 89 14.966 9.223 -16.306 1.00 61.97 C ATOM 1516 C GLY A 89 16.136 10.187 -16.264 1.00 64.68 C ATOM 1517 O GLY A 89 16.863 10.242 -15.271 1.00 65.71 O ATOM 0 H GLY A 89 13.478 9.286 -17.780 1.00 60.76 H new ATOM 0 HA2 GLY A 89 14.713 8.923 -15.289 1.00 61.97 H new ATOM 0 HA3 GLY A 89 15.265 8.321 -16.839 1.00 61.97 H new ATOM 1521 N ALA A 90 16.323 10.944 -17.347 1.00 70.37 N ATOM 1522 CA ALA A 90 17.416 11.912 -17.425 1.00 80.19 C ATOM 1523 C ALA A 90 17.284 12.977 -16.341 1.00 77.58 C ATOM 1524 O ALA A 90 18.271 13.358 -15.713 1.00 81.65 O ATOM 1525 CB ALA A 90 17.449 12.565 -18.801 1.00 95.38 C ATOM 0 H ALA A 90 15.734 10.905 -18.179 1.00 70.37 H new ATOM 0 HA ALA A 90 18.352 11.377 -17.265 1.00 80.19 H new ATOM 0 HB1 ALA A 90 18.268 13.283 -18.843 1.00 95.38 H new ATOM 0 HB2 ALA A 90 17.597 11.800 -19.563 1.00 95.38 H new ATOM 0 HB3 ALA A 90 16.505 13.080 -18.982 1.00 95.38 H new ATOM 1531 N GLU A 91 16.056 13.448 -16.128 1.00 75.77 N ATOM 1532 CA GLU A 91 15.783 14.458 -15.108 1.00 80.24 C ATOM 1533 C GLU A 91 16.087 13.917 -13.712 1.00 71.29 C ATOM 1534 O GLU A 91 16.629 14.624 -12.864 1.00 75.09 O ATOM 1535 CB GLU A 91 14.322 14.906 -15.189 1.00 90.01 C ATOM 1536 CG GLU A 91 14.002 15.728 -16.430 1.00140.26 C ATOM 1537 CD GLU A 91 12.518 15.987 -16.597 1.00229.56 C ATOM 1538 OE1 GLU A 91 11.714 15.296 -15.934 1.00365.35 O ATOM 1539 OE2 GLU A 91 12.158 16.882 -17.388 1.00381.14 O1- ATOM 0 H GLU A 91 15.233 13.145 -16.650 1.00 75.77 H new ATOM 0 HA GLU A 91 16.431 15.315 -15.293 1.00 80.24 H new ATOM 0 HB2 GLU A 91 13.680 14.026 -15.172 1.00 90.01 H new ATOM 0 HB3 GLU A 91 14.082 15.493 -14.303 1.00 90.01 H new ATOM 0 HG2 GLU A 91 14.528 16.681 -16.375 1.00140.26 H new ATOM 0 HG3 GLU A 91 14.377 15.208 -17.311 1.00140.26 H new ATOM 1546 N ILE A 92 15.729 12.654 -13.490 1.00 64.55 N ATOM 1547 CA ILE A 92 15.962 11.991 -12.208 1.00 63.22 C ATOM 1548 C ILE A 92 17.459 11.843 -11.933 1.00 60.78 C ATOM 1549 O ILE A 92 17.921 12.081 -10.817 1.00 63.24 O ATOM 1550 CB ILE A 92 15.284 10.600 -12.175 1.00 67.09 C ATOM 1551 CG1 ILE A 92 13.765 10.749 -12.297 1.00 78.70 C ATOM 1552 CG2 ILE A 92 15.643 9.843 -10.900 1.00 74.04 C ATOM 1553 CD1 ILE A 92 13.139 11.569 -11.187 1.00182.12 C ATOM 0 H ILE A 92 15.273 12.065 -14.187 1.00 64.55 H new ATOM 0 HA ILE A 92 15.523 12.615 -11.430 1.00 63.22 H new ATOM 0 HB ILE A 92 15.652 10.023 -13.023 1.00 67.09 H new ATOM 0 HG12 ILE A 92 13.531 11.213 -13.255 1.00 78.70 H new ATOM 0 HG13 ILE A 92 13.312 9.758 -12.304 1.00 78.70 H new ATOM 0 HG21 ILE A 92 15.153 8.870 -10.904 1.00 74.04 H new ATOM 0 HG22 ILE A 92 16.723 9.705 -10.851 1.00 74.04 H new ATOM 0 HG23 ILE A 92 15.310 10.413 -10.033 1.00 74.04 H new ATOM 0 HD11 ILE A 92 12.062 11.630 -11.343 1.00182.12 H new ATOM 0 HD12 ILE A 92 13.341 11.095 -10.226 1.00182.12 H new ATOM 0 HD13 ILE A 92 13.563 12.573 -11.193 1.00182.12 H new ATOM 1565 N GLY A 93 18.207 11.460 -12.965 1.00 61.35 N ATOM 1566 CA GLY A 93 19.646 11.273 -12.831 1.00 68.83 C ATOM 1567 C GLY A 93 20.399 12.554 -12.510 1.00 77.90 C ATOM 1568 O GLY A 93 21.527 12.503 -12.019 1.00 88.80 O ATOM 0 H GLY A 93 17.841 11.274 -13.899 1.00 61.35 H new ATOM 0 HA2 GLY A 93 19.837 10.542 -12.045 1.00 68.83 H new ATOM 0 HA3 GLY A 93 20.037 10.854 -13.758 1.00 68.83 H new ATOM 1572 N ARG A 94 19.788 13.700 -12.790 1.00 81.77 N ATOM 1573 CA ARG A 94 20.424 14.989 -12.527 1.00 96.44 C ATOM 1574 C ARG A 94 20.340 15.374 -11.050 1.00 95.13 C ATOM 1575 O ARG A 94 21.162 16.148 -10.559 1.00109.35 O ATOM 1576 CB ARG A 94 19.783 16.087 -13.381 1.00113.12 C ATOM 1577 CG ARG A 94 20.068 15.952 -14.870 1.00154.95 C ATOM 1578 CD ARG A 94 19.416 17.075 -15.663 1.00291.47 C ATOM 1579 NE ARG A 94 19.684 16.961 -17.094 1.00415.93 N ATOM 1580 CZ ARG A 94 19.251 17.835 -17.999 1.00711.23 C ATOM 1581 NH1 ARG A 94 18.534 18.884 -17.618 1.00998.79 N1+ ATOM 1582 NH2 ARG A 94 19.536 17.659 -19.281 1.00999.99 N ATOM 0 H ARG A 94 18.855 13.764 -13.198 1.00 81.77 H new ATOM 0 HA ARG A 94 21.477 14.889 -12.792 1.00 96.44 H new ATOM 0 HB2 ARG A 94 18.704 16.073 -13.224 1.00113.12 H new ATOM 0 HB3 ARG A 94 20.142 17.057 -13.038 1.00113.12 H new ATOM 0 HG2 ARG A 94 21.145 15.963 -15.039 1.00154.95 H new ATOM 0 HG3 ARG A 94 19.699 14.990 -15.227 1.00154.95 H new ATOM 0 HD2 ARG A 94 18.339 17.061 -15.494 1.00291.47 H new ATOM 0 HD3 ARG A 94 19.783 18.035 -15.301 1.00291.47 H new ATOM 0 HE ARG A 94 20.235 16.166 -17.418 1.00415.93 H new ATOM 0 HH11 ARG A 94 18.315 19.021 -16.631 1.00998.79 H new ATOM 0 HH12 ARG A 94 18.202 19.554 -18.312 1.00998.79 H new ATOM 0 HH21 ARG A 94 20.088 16.853 -19.575 1.00999.99 H new ATOM 0 HH22 ARG A 94 19.204 18.330 -19.974 1.00999.99 H new ATOM 1596 N ARG A 95 19.350 14.839 -10.340 1.00 86.45 N ATOM 1597 CA ARG A 95 19.183 15.156 -8.923 1.00 93.68 C ATOM 1598 C ARG A 95 19.546 13.964 -8.040 1.00 94.67 C ATOM 1599 O ARG A 95 18.846 12.952 -8.028 1.00 97.42 O ATOM 1600 CB ARG A 95 17.741 15.589 -8.642 1.00107.44 C ATOM 1601 CG ARG A 95 17.312 16.830 -9.409 1.00307.61 C ATOM 1602 CD ARG A 95 15.872 17.208 -9.096 1.00350.05 C ATOM 1603 NE ARG A 95 15.710 17.655 -7.714 1.00605.90 N ATOM 1604 CZ ARG A 95 14.530 17.902 -7.152 1.00806.78 C ATOM 1605 NH1 ARG A 95 13.413 17.739 -7.851 1.00845.08 N1+ ATOM 1606 NH2 ARG A 95 14.468 18.310 -5.891 1.00999.99 N ATOM 0 H ARG A 95 18.658 14.191 -10.716 1.00 86.45 H new ATOM 0 HA ARG A 95 19.860 15.976 -8.684 1.00 93.68 H new ATOM 0 HB2 ARG A 95 17.070 14.768 -8.893 1.00107.44 H new ATOM 0 HB3 ARG A 95 17.629 15.777 -7.574 1.00107.44 H new ATOM 0 HG2 ARG A 95 17.971 17.661 -9.157 1.00307.61 H new ATOM 0 HG3 ARG A 95 17.418 16.653 -10.479 1.00307.61 H new ATOM 0 HD2 ARG A 95 15.550 17.999 -9.773 1.00350.05 H new ATOM 0 HD3 ARG A 95 15.225 16.350 -9.278 1.00350.05 H new ATOM 0 HE ARG A 95 16.549 17.785 -7.149 1.00605.90 H new ATOM 0 HH11 ARG A 95 13.459 17.424 -8.820 1.00845.08 H new ATOM 0 HH12 ARG A 95 12.509 17.929 -7.419 1.00845.08 H new ATOM 0 HH21 ARG A 95 15.325 18.434 -5.352 1.00999.99 H new ATOM 0 HH22 ARG A 95 13.563 18.499 -5.460 1.00999.99 H new ATOM 1620 N ILE A 96 20.635 14.097 -7.288 1.00103.97 N ATOM 1621 CA ILE A 96 21.080 13.036 -6.389 1.00120.62 C ATOM 1622 C ILE A 96 21.459 13.607 -5.023 1.00135.23 C ATOM 1623 O ILE A 96 21.838 14.773 -4.911 1.00215.76 O ATOM 1624 CB ILE A 96 22.282 12.249 -6.968 1.00134.64 C ATOM 1625 CG1 ILE A 96 23.462 13.186 -7.243 1.00237.82 C ATOM 1626 CG2 ILE A 96 21.881 11.503 -8.234 1.00205.25 C ATOM 1627 CD1 ILE A 96 24.744 12.460 -7.593 1.00308.67 C ATOM 0 H ILE A 96 21.226 14.929 -7.283 1.00103.97 H new ATOM 0 HA ILE A 96 20.243 12.347 -6.278 1.00120.62 H new ATOM 0 HB ILE A 96 22.595 11.515 -6.226 1.00134.64 H new ATOM 0 HG12 ILE A 96 23.199 13.857 -8.061 1.00237.82 H new ATOM 0 HG13 ILE A 96 23.634 13.807 -6.364 1.00237.82 H new ATOM 0 HG21 ILE A 96 22.741 10.958 -8.623 1.00205.25 H new ATOM 0 HG22 ILE A 96 21.080 10.801 -8.004 1.00205.25 H new ATOM 0 HG23 ILE A 96 21.535 12.216 -8.982 1.00205.25 H new ATOM 0 HD11 ILE A 96 25.536 13.187 -7.775 1.00308.67 H new ATOM 0 HD12 ILE A 96 25.031 11.810 -6.767 1.00308.67 H new ATOM 0 HD13 ILE A 96 24.589 11.860 -8.490 1.00308.67 H new ATOM 1639 N ASP A 97 21.352 12.780 -3.988 1.00125.34 N ATOM 1640 CA ASP A 97 21.689 13.198 -2.630 1.00140.49 C ATOM 1641 C ASP A 97 22.258 12.027 -1.833 1.00116.54 C ATOM 1642 O ASP A 97 21.754 11.682 -0.762 1.00143.24 O ATOM 1643 CB ASP A 97 20.455 13.764 -1.923 1.00195.56 C ATOM 1644 CG ASP A 97 20.813 14.781 -0.861 1.00284.16 C ATOM 1645 OD1 ASP A 97 22.022 15.008 -0.637 1.00384.26 O ATOM 1646 OD2 ASP A 97 19.885 15.355 -0.254 1.00388.05 O1- ATOM 0 H ASP A 97 21.034 11.814 -4.063 1.00125.34 H new ATOM 0 HA ASP A 97 22.447 13.978 -2.692 1.00140.49 H new ATOM 0 HB2 ASP A 97 19.799 14.228 -2.659 1.00195.56 H new ATOM 0 HB3 ASP A 97 19.895 12.948 -1.466 1.00195.56 H new ATOM 1651 N MET A 98 23.311 11.421 -2.369 1.00 92.56 N ATOM 1652 CA MET A 98 23.968 10.280 -1.731 1.00 86.33 C ATOM 1653 C MET A 98 24.702 10.691 -0.456 1.00 94.07 C ATOM 1654 O MET A 98 24.855 9.888 0.465 1.00108.97 O ATOM 1655 CB MET A 98 24.944 9.622 -2.706 1.00 76.26 C ATOM 1656 CG MET A 98 24.262 8.902 -3.858 1.00134.16 C ATOM 1657 SD MET A 98 25.418 7.956 -4.865 1.00192.83 S ATOM 1658 CE MET A 98 26.275 9.277 -5.715 1.00360.57 C ATOM 0 H MET A 98 23.734 11.703 -3.253 1.00 92.56 H new ATOM 0 HA MET A 98 23.193 9.565 -1.454 1.00 86.33 H new ATOM 0 HB2 MET A 98 25.611 10.384 -3.109 1.00 76.26 H new ATOM 0 HB3 MET A 98 25.565 8.911 -2.161 1.00 76.26 H new ATOM 0 HG2 MET A 98 23.498 8.232 -3.462 1.00134.16 H new ATOM 0 HG3 MET A 98 23.751 9.632 -4.486 1.00134.16 H new ATOM 0 HE1 MET A 98 26.168 9.146 -6.792 1.00360.57 H new ATOM 0 HE2 MET A 98 25.847 10.236 -5.422 1.00360.57 H new ATOM 0 HE3 MET A 98 27.332 9.255 -5.450 1.00360.57 H new ATOM 1668 N ALA A 99 25.156 11.943 -0.414 1.00100.18 N ATOM 1669 CA ALA A 99 25.886 12.463 0.740 1.00127.82 C ATOM 1670 C ALA A 99 25.045 12.406 2.013 1.00152.91 C ATOM 1671 O ALA A 99 25.557 12.082 3.086 1.00184.23 O ATOM 1672 CB ALA A 99 26.343 13.892 0.474 1.00148.64 C ATOM 0 H ALA A 99 25.030 12.617 -1.169 1.00100.18 H new ATOM 0 HA ALA A 99 26.760 11.829 0.892 1.00127.82 H new ATOM 0 HB1 ALA A 99 26.886 14.268 1.341 1.00148.64 H new ATOM 0 HB2 ALA A 99 26.997 13.909 -0.398 1.00148.64 H new ATOM 0 HB3 ALA A 99 25.474 14.523 0.288 1.00148.64 H new ATOM 1678 N TYR A 100 23.757 12.726 1.891 1.00156.72 N ATOM 1679 CA TYR A 100 22.853 12.701 3.039 1.00204.64 C ATOM 1680 C TYR A 100 22.700 11.283 3.589 1.00199.88 C ATOM 1681 O TYR A 100 22.689 11.085 4.804 1.00224.93 O ATOM 1682 CB TYR A 100 21.482 13.269 2.666 1.00239.39 C ATOM 1683 CG TYR A 100 21.368 14.769 2.854 1.00453.50 C ATOM 1684 CD1 TYR A 100 22.479 15.597 2.724 1.00583.16 C ATOM 1685 CD2 TYR A 100 20.148 15.357 3.167 1.00853.43 C ATOM 1686 CE1 TYR A 100 22.375 16.962 2.899 1.00999.99 C ATOM 1687 CE2 TYR A 100 20.038 16.723 3.341 1.00999.99 C ATOM 1688 CZ TYR A 100 21.154 17.521 3.206 1.00999.99 C ATOM 1689 OH TYR A 100 21.049 18.880 3.381 1.00999.99 O ATOM 0 H TYR A 100 23.318 13.004 1.013 1.00156.72 H new ATOM 0 HA TYR A 100 23.291 13.327 3.816 1.00204.64 H new ATOM 0 HB2 TYR A 100 21.270 13.026 1.625 1.00239.39 H new ATOM 0 HB3 TYR A 100 20.719 12.778 3.270 1.00239.39 H new ATOM 0 HD1 TYR A 100 23.438 15.164 2.482 1.00583.16 H new ATOM 0 HD2 TYR A 100 19.271 14.736 3.276 1.00853.43 H new ATOM 0 HE1 TYR A 100 23.248 17.590 2.796 1.00999.99 H new ATOM 0 HE2 TYR A 100 19.082 17.164 3.582 1.00999.99 H new ATOM 0 HH TYR A 100 20.120 19.112 3.591 1.00999.99 H new ATOM 1699 N PHE A 101 22.585 10.304 2.690 1.00177.77 N ATOM 1700 CA PHE A 101 22.443 8.905 3.094 1.00182.30 C ATOM 1701 C PHE A 101 23.708 8.448 3.824 1.00180.18 C ATOM 1702 O PHE A 101 23.638 7.778 4.855 1.00202.85 O ATOM 1703 CB PHE A 101 22.190 8.012 1.871 1.00169.69 C ATOM 1704 CG PHE A 101 21.746 6.613 2.215 1.00212.19 C ATOM 1705 CD1 PHE A 101 20.401 6.281 2.198 1.00237.60 C ATOM 1706 CD2 PHE A 101 22.666 5.637 2.564 1.00301.02 C ATOM 1707 CE1 PHE A 101 19.981 5.006 2.520 1.00297.03 C ATOM 1708 CE2 PHE A 101 22.250 4.358 2.888 1.00374.13 C ATOM 1709 CZ PHE A 101 20.907 4.043 2.864 1.00345.20 C ATOM 0 H PHE A 101 22.587 10.454 1.681 1.00177.77 H new ATOM 0 HA PHE A 101 21.588 8.819 3.765 1.00182.30 H new ATOM 0 HB2 PHE A 101 21.431 8.479 1.244 1.00169.69 H new ATOM 0 HB3 PHE A 101 23.103 7.957 1.279 1.00169.69 H new ATOM 0 HD1 PHE A 101 19.671 7.030 1.929 1.00237.60 H new ATOM 0 HD2 PHE A 101 23.719 5.877 2.583 1.00301.02 H new ATOM 0 HE1 PHE A 101 18.929 4.763 2.503 1.00297.03 H new ATOM 0 HE2 PHE A 101 22.976 3.606 3.160 1.00374.13 H new ATOM 0 HZ PHE A 101 20.581 3.044 3.114 1.00345.20 H new ATOM 1719 N TYR A 102 24.861 8.821 3.266 1.00164.80 N ATOM 1720 CA TYR A 102 26.156 8.480 3.848 1.00173.79 C ATOM 1721 C TYR A 102 26.279 9.065 5.254 1.00200.84 C ATOM 1722 O TYR A 102 26.681 8.375 6.194 1.00227.37 O ATOM 1723 CB TYR A 102 27.287 9.000 2.950 1.00171.66 C ATOM 1724 CG TYR A 102 28.679 8.727 3.481 1.00220.86 C ATOM 1725 CD1 TYR A 102 29.242 7.460 3.390 1.00393.52 C ATOM 1726 CD2 TYR A 102 29.432 9.738 4.067 1.00371.04 C ATOM 1727 CE1 TYR A 102 30.513 7.208 3.870 1.00693.62 C ATOM 1728 CE2 TYR A 102 30.704 9.494 4.550 1.00656.65 C ATOM 1729 CZ TYR A 102 31.240 8.228 4.447 1.00806.00 C ATOM 1730 OH TYR A 102 32.505 7.981 4.925 1.00999.99 O ATOM 0 H TYR A 102 24.922 9.364 2.405 1.00164.80 H new ATOM 0 HA TYR A 102 26.235 7.395 3.920 1.00173.79 H new ATOM 0 HB2 TYR A 102 27.191 8.545 1.964 1.00171.66 H new ATOM 0 HB3 TYR A 102 27.165 10.075 2.818 1.00171.66 H new ATOM 0 HD1 TYR A 102 28.677 6.659 2.937 1.00393.52 H new ATOM 0 HD2 TYR A 102 29.016 10.731 4.146 1.00371.04 H new ATOM 0 HE1 TYR A 102 30.935 6.217 3.794 1.00693.62 H new ATOM 0 HE2 TYR A 102 31.274 10.290 5.005 1.00656.65 H new ATOM 0 HH TYR A 102 32.880 8.805 5.299 1.00999.99 H new ATOM 1740 N ASP A 103 25.929 10.344 5.383 1.00204.76 N ATOM 1741 CA ASP A 103 25.980 11.038 6.669 1.00242.28 C ATOM 1742 C ASP A 103 25.043 10.375 7.678 1.00266.98 C ATOM 1743 O ASP A 103 25.381 10.237 8.853 1.00300.46 O ATOM 1744 CB ASP A 103 25.599 12.511 6.497 1.00257.95 C ATOM 1745 CG ASP A 103 25.764 13.305 7.778 1.00399.17 C ATOM 1746 OD1 ASP A 103 26.916 13.475 8.227 1.00558.87 O ATOM 1747 OD2 ASP A 103 24.739 13.760 8.329 1.00540.69 O1- ATOM 0 H ASP A 103 25.605 10.923 4.608 1.00204.76 H new ATOM 0 HA ASP A 103 27.001 10.977 7.046 1.00242.28 H new ATOM 0 HB2 ASP A 103 26.217 12.954 5.716 1.00257.95 H new ATOM 0 HB3 ASP A 103 24.564 12.579 6.162 1.00257.95 H new ATOM 1752 N ALA A 104 23.861 9.977 7.207 1.00260.90 N ATOM 1753 CA ALA A 104 22.873 9.320 8.059 1.00294.90 C ATOM 1754 C ALA A 104 23.411 8.008 8.625 1.00294.01 C ATOM 1755 O ALA A 104 23.189 7.697 9.798 1.00332.85 O ATOM 1756 CB ALA A 104 21.587 9.071 7.284 1.00298.30 C ATOM 0 H ALA A 104 23.565 10.099 6.238 1.00260.90 H new ATOM 0 HA ALA A 104 22.660 9.985 8.896 1.00294.90 H new ATOM 0 HB1 ALA A 104 20.861 8.581 7.932 1.00298.30 H new ATOM 0 HB2 ALA A 104 21.181 10.021 6.938 1.00298.30 H new ATOM 0 HB3 ALA A 104 21.797 8.432 6.426 1.00298.30 H new ATOM 1762 N LEU A 105 24.119 7.241 7.791 1.00259.78 N ATOM 1763 CA LEU A 105 24.696 5.970 8.230 1.00264.87 C ATOM 1764 C LEU A 105 25.723 6.200 9.332 1.00279.27 C ATOM 1765 O LEU A 105 25.765 5.460 10.313 1.00303.74 O ATOM 1766 CB LEU A 105 25.364 5.238 7.063 1.00241.53 C ATOM 1767 CG LEU A 105 24.417 4.680 6.000 1.00307.19 C ATOM 1768 CD1 LEU A 105 25.210 4.165 4.809 1.00385.85 C ATOM 1769 CD2 LEU A 105 23.549 3.573 6.583 1.00472.21 C ATOM 0 H LEU A 105 24.305 7.476 6.816 1.00259.78 H new ATOM 0 HA LEU A 105 23.883 5.355 8.615 1.00264.87 H new ATOM 0 HB2 LEU A 105 26.060 5.923 6.579 1.00241.53 H new ATOM 0 HB3 LEU A 105 25.955 4.415 7.465 1.00241.53 H new ATOM 0 HG LEU A 105 23.763 5.483 5.662 1.00307.19 H new ATOM 0 HD11 LEU A 105 24.525 3.770 4.059 1.00385.85 H new ATOM 0 HD12 LEU A 105 25.790 4.981 4.377 1.00385.85 H new ATOM 0 HD13 LEU A 105 25.885 3.374 5.136 1.00385.85 H new ATOM 0 HD21 LEU A 105 22.882 3.189 5.811 1.00472.21 H new ATOM 0 HD22 LEU A 105 24.185 2.766 6.948 1.00472.21 H new ATOM 0 HD23 LEU A 105 22.958 3.970 7.408 1.00472.21 H new ATOM 1781 N LYS A 106 26.557 7.224 9.150 1.00273.60 N ATOM 1782 CA LYS A 106 27.579 7.577 10.130 1.00299.72 C ATOM 1783 C LYS A 106 26.942 8.027 11.446 1.00347.63 C ATOM 1784 O LYS A 106 27.391 7.645 12.526 1.00382.37 O ATOM 1785 CB LYS A 106 28.480 8.685 9.572 1.00300.16 C ATOM 1786 CG LYS A 106 29.617 9.085 10.500 1.00356.49 C ATOM 1787 CD LYS A 106 30.566 10.073 9.835 1.00366.69 C ATOM 1788 CE LYS A 106 29.907 11.427 9.621 1.00569.73 C ATOM 1789 NZ LYS A 106 30.850 12.421 9.040 1.00821.44 N1+ ATOM 0 H LYS A 106 26.543 7.826 8.327 1.00273.60 H new ATOM 0 HA LYS A 106 28.183 6.692 10.330 1.00299.72 H new ATOM 0 HB2 LYS A 106 28.900 8.354 8.622 1.00300.16 H new ATOM 0 HB3 LYS A 106 27.870 9.564 9.362 1.00300.16 H new ATOM 0 HG2 LYS A 106 29.207 9.529 11.407 1.00356.49 H new ATOM 0 HG3 LYS A 106 30.170 8.196 10.802 1.00356.49 H new ATOM 0 HD2 LYS A 106 31.456 10.195 10.452 1.00366.69 H new ATOM 0 HD3 LYS A 106 30.895 9.673 8.876 1.00366.69 H new ATOM 0 HE2 LYS A 106 29.049 11.312 8.959 1.00569.73 H new ATOM 0 HE3 LYS A 106 29.528 11.800 10.572 1.00569.73 H new ATOM 0 HZ1 LYS A 106 30.361 13.329 8.910 1.00821.44 H new ATOM 0 HZ2 LYS A 106 31.657 12.551 9.683 1.00821.44 H new ATOM 0 HZ3 LYS A 106 31.192 12.078 8.120 1.00821.44 H new ATOM 1803 N ASP A 107 25.893 8.842 11.335 1.00359.01 N ATOM 1804 CA ASP A 107 25.174 9.362 12.502 1.00416.94 C ATOM 1805 C ASP A 107 24.626 8.239 13.381 1.00439.86 C ATOM 1806 O ASP A 107 24.720 8.299 14.607 1.00493.04 O ATOM 1807 CB ASP A 107 24.027 10.271 12.054 1.00429.68 C ATOM 1808 CG ASP A 107 23.287 10.892 13.223 1.00566.91 C ATOM 1809 OD1 ASP A 107 23.888 11.729 13.928 1.00638.90 O ATOM 1810 OD2 ASP A 107 22.103 10.544 13.428 1.00746.24 O1- ATOM 0 H ASP A 107 25.518 9.160 10.441 1.00359.01 H new ATOM 0 HA ASP A 107 25.887 9.935 13.095 1.00416.94 H new ATOM 0 HB2 ASP A 107 24.422 11.062 11.417 1.00429.68 H new ATOM 0 HB3 ASP A 107 23.326 9.695 11.449 1.00429.68 H new ATOM 1815 N LYS A 108 24.049 7.220 12.752 1.00410.03 N ATOM 1816 CA LYS A 108 23.484 6.090 13.487 1.00437.60 C ATOM 1817 C LYS A 108 24.525 4.995 13.716 1.00427.09 C ATOM 1818 O LYS A 108 24.254 4.007 14.399 1.00453.93 O ATOM 1819 CB LYS A 108 22.280 5.514 12.735 1.00433.31 C ATOM 1820 CG LYS A 108 21.158 6.517 12.502 1.00459.99 C ATOM 1821 CD LYS A 108 20.568 7.017 13.812 1.00625.88 C ATOM 1822 CE LYS A 108 19.341 7.884 13.575 1.00809.13 C ATOM 1823 NZ LYS A 108 19.668 9.118 12.809 1.00999.99 N1+ ATOM 0 H LYS A 108 23.960 7.152 11.738 1.00410.03 H new ATOM 0 HA LYS A 108 23.159 6.458 14.460 1.00437.60 H new ATOM 0 HB2 LYS A 108 22.616 5.130 11.772 1.00433.31 H new ATOM 0 HB3 LYS A 108 21.886 4.667 13.296 1.00433.31 H new ATOM 0 HG2 LYS A 108 21.539 7.362 11.929 1.00459.99 H new ATOM 0 HG3 LYS A 108 20.374 6.053 11.903 1.00459.99 H new ATOM 0 HD2 LYS A 108 20.299 6.167 14.439 1.00625.88 H new ATOM 0 HD3 LYS A 108 21.320 7.589 14.356 1.00625.88 H new ATOM 0 HE2 LYS A 108 18.590 7.309 13.033 1.00809.13 H new ATOM 0 HE3 LYS A 108 18.901 8.159 14.534 1.00809.13 H new ATOM 0 HZ1 LYS A 108 18.920 9.826 12.955 1.00999.99 H new ATOM 0 HZ2 LYS A 108 20.576 9.501 13.140 1.00999.99 H new ATOM 0 HZ3 LYS A 108 19.736 8.890 11.797 1.00999.99 H new ATOM 1837 N ASN A 109 25.716 5.187 13.139 1.00397.86 N ATOM 1838 CA ASN A 109 26.825 4.232 13.252 1.00395.56 C ATOM 1839 C ASN A 109 26.413 2.843 12.757 1.00379.75 C ATOM 1840 O ASN A 109 26.763 1.823 13.354 1.00398.92 O ATOM 1841 CB ASN A 109 27.324 4.156 14.701 1.00454.81 C ATOM 1842 CG ASN A 109 28.727 3.586 14.804 1.00493.28 C ATOM 1843 OD1 ASN A 109 29.575 3.839 13.948 1.00466.98 O ATOM 1844 ND2 ASN A 109 28.978 2.813 15.851 1.00675.44 N ATOM 0 H ASN A 109 25.939 6.010 12.579 1.00397.86 H new ATOM 0 HA ASN A 109 27.638 4.588 12.619 1.00395.56 H new ATOM 0 HB2 ASN A 109 27.308 5.153 15.140 1.00454.81 H new ATOM 0 HB3 ASN A 109 26.641 3.539 15.285 1.00454.81 H new ATOM 0 HD21 ASN A 109 29.904 2.402 15.971 1.00675.44 H new ATOM 0 HD22 ASN A 109 28.246 2.629 16.537 1.00675.44 H new ATOM 1851 N MET A 110 25.669 2.808 11.657 1.00357.57 N ATOM 1852 CA MET A 110 25.211 1.545 11.089 1.00356.11 C ATOM 1853 C MET A 110 25.951 1.217 9.796 1.00317.66 C ATOM 1854 O MET A 110 25.650 1.772 8.738 1.00347.18 O ATOM 1855 CB MET A 110 23.703 1.589 10.827 1.00376.47 C ATOM 1856 CG MET A 110 22.867 1.801 12.080 1.00500.58 C ATOM 1857 SD MET A 110 23.127 0.513 13.316 1.00891.58 S ATOM 1858 CE MET A 110 22.408 -0.906 12.490 1.00999.99 C ATOM 0 H MET A 110 25.371 3.637 11.142 1.00357.57 H new ATOM 0 HA MET A 110 25.425 0.761 11.815 1.00356.11 H new ATOM 0 HB2 MET A 110 23.490 2.391 10.120 1.00376.47 H new ATOM 0 HB3 MET A 110 23.399 0.656 10.352 1.00376.47 H new ATOM 0 HG2 MET A 110 23.111 2.770 12.515 1.00500.58 H new ATOM 0 HG3 MET A 110 21.812 1.830 11.807 1.00500.58 H new ATOM 0 HE1 MET A 110 22.266 -1.712 13.210 1.00999.99 H new ATOM 0 HE2 MET A 110 21.445 -0.628 12.061 1.00999.99 H new ATOM 0 HE3 MET A 110 23.075 -1.242 11.696 1.00999.99 H new ATOM 1868 N ILE A 111 26.921 0.316 9.890 1.00267.60 N ATOM 1869 CA ILE A 111 27.692 -0.101 8.725 1.00237.97 C ATOM 1870 C ILE A 111 27.084 -1.366 8.117 1.00208.35 C ATOM 1871 O ILE A 111 27.003 -2.398 8.786 1.00195.51 O ATOM 1872 CB ILE A 111 29.170 -0.364 9.092 1.00229.14 C ATOM 1873 CG1 ILE A 111 29.798 0.897 9.697 1.00282.61 C ATOM 1874 CG2 ILE A 111 29.959 -0.815 7.867 1.00210.79 C ATOM 1875 CD1 ILE A 111 31.156 0.658 10.327 1.00390.38 C ATOM 0 H ILE A 111 27.193 -0.140 10.761 1.00267.60 H new ATOM 0 HA ILE A 111 27.658 0.709 7.997 1.00237.97 H new ATOM 0 HB ILE A 111 29.204 -1.163 9.833 1.00229.14 H new ATOM 0 HG12 ILE A 111 29.896 1.653 8.918 1.00282.61 H new ATOM 0 HG13 ILE A 111 29.123 1.302 10.451 1.00282.61 H new ATOM 0 HG21 ILE A 111 30.997 -0.994 8.148 1.00210.79 H new ATOM 0 HG22 ILE A 111 29.526 -1.734 7.473 1.00210.79 H new ATOM 0 HG23 ILE A 111 29.919 -0.039 7.103 1.00210.79 H new ATOM 0 HD11 ILE A 111 31.538 1.594 10.734 1.00390.38 H new ATOM 0 HD12 ILE A 111 31.061 -0.074 11.129 1.00390.38 H new ATOM 0 HD13 ILE A 111 31.846 0.282 9.572 1.00390.38 H new ATOM 1887 N PRO A 112 26.624 -1.297 6.850 1.00213.02 N ATOM 1888 CA PRO A 112 26.023 -2.453 6.161 1.00205.62 C ATOM 1889 C PRO A 112 26.973 -3.647 6.071 1.00166.01 C ATOM 1890 O PRO A 112 28.153 -3.494 5.749 1.00157.37 O ATOM 1891 CB PRO A 112 25.723 -1.911 4.760 1.00242.33 C ATOM 1892 CG PRO A 112 25.613 -0.438 4.945 1.00241.94 C ATOM 1893 CD PRO A 112 26.626 -0.095 5.997 1.00243.11 C ATOM 0 HA PRO A 112 25.148 -2.828 6.692 1.00205.62 H new ATOM 0 HB2 PRO A 112 26.517 -2.164 4.058 1.00242.33 H new ATOM 0 HB3 PRO A 112 24.799 -2.331 4.361 1.00242.33 H new ATOM 0 HG2 PRO A 112 25.817 0.092 4.015 1.00241.94 H new ATOM 0 HG3 PRO A 112 24.608 -0.155 5.259 1.00241.94 H new ATOM 0 HD2 PRO A 112 27.609 0.095 5.566 1.00243.11 H new ATOM 0 HD3 PRO A 112 26.345 0.798 6.555 1.00243.11 H new ATOM 1901 N LYS A 113 26.449 -4.837 6.352 1.00158.33 N ATOM 1902 CA LYS A 113 27.244 -6.058 6.293 1.00137.17 C ATOM 1903 C LYS A 113 27.271 -6.615 4.873 1.00131.14 C ATOM 1904 O LYS A 113 26.276 -6.533 4.151 1.00143.93 O ATOM 1905 CB LYS A 113 26.685 -7.109 7.257 1.00150.89 C ATOM 1906 CG LYS A 113 26.789 -6.709 8.719 1.00177.84 C ATOM 1907 CD LYS A 113 26.223 -7.784 9.634 1.00242.64 C ATOM 1908 CE LYS A 113 26.328 -7.382 11.096 1.00406.97 C ATOM 1909 NZ LYS A 113 25.771 -8.424 12.001 1.00618.10 N1+ ATOM 0 H LYS A 113 25.476 -4.981 6.623 1.00158.33 H new ATOM 0 HA LYS A 113 28.264 -5.814 6.591 1.00137.17 H new ATOM 0 HB2 LYS A 113 25.639 -7.294 7.013 1.00150.89 H new ATOM 0 HB3 LYS A 113 27.218 -8.048 7.107 1.00150.89 H new ATOM 0 HG2 LYS A 113 27.833 -6.526 8.974 1.00177.84 H new ATOM 0 HG3 LYS A 113 26.253 -5.774 8.880 1.00177.84 H new ATOM 0 HD2 LYS A 113 25.179 -7.967 9.380 1.00242.64 H new ATOM 0 HD3 LYS A 113 26.759 -8.719 9.473 1.00242.64 H new ATOM 0 HE2 LYS A 113 27.373 -7.203 11.349 1.00406.97 H new ATOM 0 HE3 LYS A 113 25.797 -6.443 11.253 1.00406.97 H new ATOM 0 HZ1 LYS A 113 25.862 -8.111 12.989 1.00618.10 H new ATOM 0 HZ2 LYS A 113 24.767 -8.577 11.777 1.00618.10 H new ATOM 0 HZ3 LYS A 113 26.294 -9.313 11.870 1.00618.10 H new ATOM 1923 N TYR A 114 28.413 -7.171 4.474 1.00131.35 N ATOM 1924 CA TYR A 114 28.554 -7.744 3.142 1.00145.33 C ATOM 1925 C TYR A 114 27.707 -9.006 3.007 1.00168.40 C ATOM 1926 O TYR A 114 28.026 -10.047 3.584 1.00230.26 O ATOM 1927 CB TYR A 114 30.020 -8.064 2.849 1.00181.27 C ATOM 1928 CG TYR A 114 30.309 -8.309 1.385 1.00500.22 C ATOM 1929 CD1 TYR A 114 30.197 -7.278 0.457 1.00731.83 C ATOM 1930 CD2 TYR A 114 30.698 -9.562 0.929 1.00947.01 C ATOM 1931 CE1 TYR A 114 30.468 -7.492 -0.880 1.00999.99 C ATOM 1932 CE2 TYR A 114 30.969 -9.782 -0.408 1.00999.99 C ATOM 1933 CZ TYR A 114 30.853 -8.745 -1.307 1.00999.99 C ATOM 1934 OH TYR A 114 31.127 -8.958 -2.638 1.00999.99 O ATOM 0 H TYR A 114 29.250 -7.236 5.053 1.00131.35 H new ATOM 0 HA TYR A 114 28.203 -7.009 2.417 1.00145.33 H new ATOM 0 HB2 TYR A 114 30.640 -7.238 3.199 1.00181.27 H new ATOM 0 HB3 TYR A 114 30.311 -8.946 3.420 1.00181.27 H new ATOM 0 HD1 TYR A 114 29.894 -6.296 0.788 1.00731.83 H new ATOM 0 HD2 TYR A 114 30.790 -10.378 1.631 1.00947.01 H new ATOM 0 HE1 TYR A 114 30.379 -6.681 -1.588 1.00999.99 H new ATOM 0 HE2 TYR A 114 31.270 -10.762 -0.746 1.00999.99 H new ATOM 0 HH TYR A 114 31.385 -9.894 -2.773 1.00999.99 H new ATOM 1944 N LEU A 115 26.626 -8.906 2.247 1.00153.63 N ATOM 1945 CA LEU A 115 25.731 -10.040 2.041 1.00200.29 C ATOM 1946 C LEU A 115 26.022 -10.737 0.714 1.00200.92 C ATOM 1947 O LEU A 115 26.408 -10.084 -0.260 1.00160.68 O ATOM 1948 CB LEU A 115 24.273 -9.571 2.077 1.00229.55 C ATOM 1949 CG LEU A 115 23.818 -8.951 3.399 1.00303.77 C ATOM 1950 CD1 LEU A 115 22.418 -8.374 3.264 1.00415.25 C ATOM 1951 CD2 LEU A 115 23.862 -9.983 4.519 1.00397.52 C ATOM 0 H LEU A 115 26.346 -8.053 1.763 1.00153.63 H new ATOM 0 HA LEU A 115 25.900 -10.756 2.845 1.00200.29 H new ATOM 0 HB2 LEU A 115 24.124 -8.841 1.282 1.00229.55 H new ATOM 0 HB3 LEU A 115 23.629 -10.422 1.853 1.00229.55 H new ATOM 0 HG LEU A 115 24.503 -8.141 3.650 1.00303.77 H new ATOM 0 HD11 LEU A 115 22.111 -7.937 4.214 1.00415.25 H new ATOM 0 HD12 LEU A 115 22.415 -7.604 2.493 1.00415.25 H new ATOM 0 HD13 LEU A 115 21.723 -9.167 2.988 1.00415.25 H new ATOM 0 HD21 LEU A 115 23.535 -9.522 5.451 1.00397.52 H new ATOM 0 HD22 LEU A 115 23.201 -10.815 4.274 1.00397.52 H new ATOM 0 HD23 LEU A 115 24.881 -10.351 4.635 1.00397.52 H new ATOM 1963 N PRO A 116 25.845 -12.075 0.654 1.00281.30 N ATOM 1964 CA PRO A 116 26.066 -12.858 -0.577 1.00320.12 C ATOM 1965 C PRO A 116 25.209 -12.356 -1.739 1.00263.33 C ATOM 1966 O PRO A 116 25.653 -12.326 -2.888 1.00247.55 O ATOM 1967 CB PRO A 116 25.643 -14.274 -0.174 1.00469.15 C ATOM 1968 CG PRO A 116 25.836 -14.307 1.301 1.00529.15 C ATOM 1969 CD PRO A 116 25.441 -12.942 1.780 1.00382.32 C ATOM 0 HA PRO A 116 27.095 -12.790 -0.929 1.00320.12 H new ATOM 0 HB2 PRO A 116 24.606 -14.472 -0.444 1.00469.15 H new ATOM 0 HB3 PRO A 116 26.252 -15.028 -0.672 1.00469.15 H new ATOM 0 HG2 PRO A 116 25.220 -15.079 1.762 1.00529.15 H new ATOM 0 HG3 PRO A 116 26.872 -14.530 1.558 1.00529.15 H new ATOM 0 HD2 PRO A 116 24.371 -12.876 1.979 1.00382.32 H new ATOM 0 HD3 PRO A 116 25.954 -12.672 2.703 1.00382.32 H new ATOM 1977 N TYR A 117 23.974 -11.970 -1.420 1.00266.45 N ATOM 1978 CA TYR A 117 23.035 -11.453 -2.413 1.00243.82 C ATOM 1979 C TYR A 117 23.565 -10.170 -3.046 1.00155.14 C ATOM 1980 O TYR A 117 23.411 -9.952 -4.248 1.00146.85 O ATOM 1981 CB TYR A 117 21.659 -11.203 -1.789 1.00309.31 C ATOM 1982 CG TYR A 117 20.647 -10.667 -2.778 1.00328.26 C ATOM 1983 CD1 TYR A 117 20.102 -11.490 -3.756 1.00407.74 C ATOM 1984 CD2 TYR A 117 20.245 -9.336 -2.741 1.00341.89 C ATOM 1985 CE1 TYR A 117 19.186 -11.004 -4.669 1.00458.99 C ATOM 1986 CE2 TYR A 117 19.328 -8.845 -3.650 1.00394.67 C ATOM 1987 CZ TYR A 117 18.803 -9.681 -4.612 1.00432.02 C ATOM 1988 OH TYR A 117 17.890 -9.193 -5.518 1.00516.88 O ATOM 0 H TYR A 117 23.599 -12.007 -0.472 1.00266.45 H new ATOM 0 HA TYR A 117 22.929 -12.207 -3.193 1.00243.82 H new ATOM 0 HB2 TYR A 117 21.285 -12.134 -1.364 1.00309.31 H new ATOM 0 HB3 TYR A 117 21.763 -10.496 -0.966 1.00309.31 H new ATOM 0 HD1 TYR A 117 20.399 -12.527 -3.803 1.00407.74 H new ATOM 0 HD2 TYR A 117 20.656 -8.677 -1.991 1.00341.89 H new ATOM 0 HE1 TYR A 117 18.772 -11.657 -5.423 1.00458.99 H new ATOM 0 HE2 TYR A 117 19.023 -7.810 -3.607 1.00394.67 H new ATOM 0 HH TYR A 117 17.548 -8.330 -5.205 1.00516.88 H new ATOM 1998 N MET A 118 24.181 -9.322 -2.224 1.00124.23 N ATOM 1999 CA MET A 118 24.731 -8.052 -2.692 1.00103.17 C ATOM 2000 C MET A 118 25.761 -8.296 -3.792 1.00 96.18 C ATOM 2001 O MET A 118 25.754 -7.625 -4.823 1.00101.18 O ATOM 2002 CB MET A 118 25.373 -7.303 -1.519 1.00134.95 C ATOM 2003 CG MET A 118 25.939 -5.940 -1.882 1.00325.51 C ATOM 2004 SD MET A 118 26.705 -5.116 -0.473 1.00566.08 S ATOM 2005 CE MET A 118 25.264 -4.704 0.509 1.00914.60 C ATOM 0 H MET A 118 24.312 -9.493 -1.227 1.00124.23 H new ATOM 0 HA MET A 118 23.925 -7.444 -3.103 1.00103.17 H new ATOM 0 HB2 MET A 118 24.629 -7.177 -0.733 1.00134.95 H new ATOM 0 HB3 MET A 118 26.173 -7.917 -1.105 1.00134.95 H new ATOM 0 HG2 MET A 118 26.676 -6.056 -2.677 1.00325.51 H new ATOM 0 HG3 MET A 118 25.141 -5.312 -2.277 1.00325.51 H new ATOM 0 HE1 MET A 118 25.411 -3.732 0.981 1.00914.60 H new ATOM 0 HE2 MET A 118 24.384 -4.666 -0.134 1.00914.60 H new ATOM 0 HE3 MET A 118 25.119 -5.463 1.278 1.00914.60 H new ATOM 2015 N GLU A 119 26.654 -9.250 -3.558 1.00117.85 N ATOM 2016 CA GLU A 119 27.668 -9.606 -4.544 1.00163.81 C ATOM 2017 C GLU A 119 27.009 -10.131 -5.823 1.00162.83 C ATOM 2018 O GLU A 119 27.401 -9.768 -6.934 1.00192.60 O ATOM 2019 CB GLU A 119 28.617 -10.663 -3.970 1.00231.37 C ATOM 2020 CG GLU A 119 29.745 -11.058 -4.915 1.00339.17 C ATOM 2021 CD GLU A 119 30.692 -12.075 -4.307 1.00455.50 C ATOM 2022 OE1 GLU A 119 30.464 -12.485 -3.150 1.00457.83 O ATOM 2023 OE2 GLU A 119 31.661 -12.464 -4.993 1.00675.31 O1- ATOM 0 H GLU A 119 26.697 -9.791 -2.694 1.00117.85 H new ATOM 0 HA GLU A 119 28.242 -8.712 -4.788 1.00163.81 H new ATOM 0 HB2 GLU A 119 29.048 -10.285 -3.043 1.00231.37 H new ATOM 0 HB3 GLU A 119 28.042 -11.553 -3.714 1.00231.37 H new ATOM 0 HG2 GLU A 119 29.319 -11.467 -5.831 1.00339.17 H new ATOM 0 HG3 GLU A 119 30.307 -10.167 -5.195 1.00339.17 H new ATOM 2030 N GLU A 120 26.000 -10.986 -5.646 1.00159.60 N ATOM 2031 CA GLU A 120 25.280 -11.594 -6.765 1.00190.47 C ATOM 2032 C GLU A 120 24.503 -10.575 -7.605 1.00143.38 C ATOM 2033 O GLU A 120 24.514 -10.655 -8.832 1.00164.78 O ATOM 2034 CB GLU A 120 24.317 -12.663 -6.243 1.00249.42 C ATOM 2035 CG GLU A 120 25.013 -13.905 -5.703 1.00389.00 C ATOM 2036 CD GLU A 120 24.058 -14.852 -5.001 1.00621.93 C ATOM 2037 OE1 GLU A 120 22.936 -14.422 -4.661 1.00703.99 O ATOM 2038 OE2 GLU A 120 24.436 -16.024 -4.794 1.00900.95 O1- ATOM 0 H GLU A 120 25.661 -11.275 -4.728 1.00159.60 H new ATOM 0 HA GLU A 120 26.032 -12.040 -7.416 1.00190.47 H new ATOM 0 HB2 GLU A 120 23.702 -12.231 -5.454 1.00249.42 H new ATOM 0 HB3 GLU A 120 23.643 -12.956 -7.048 1.00249.42 H new ATOM 0 HG2 GLU A 120 25.500 -14.430 -6.525 1.00389.00 H new ATOM 0 HG3 GLU A 120 25.797 -13.604 -5.008 1.00389.00 H new ATOM 2045 N ILE A 121 23.834 -9.619 -6.952 1.00104.94 N ATOM 2046 CA ILE A 121 23.048 -8.612 -7.671 1.00 94.04 C ATOM 2047 C ILE A 121 23.933 -7.713 -8.540 1.00 94.85 C ATOM 2048 O ILE A 121 23.493 -7.209 -9.574 1.00105.59 O ATOM 2049 CB ILE A 121 22.178 -7.756 -6.710 1.00103.27 C ATOM 2050 CG1 ILE A 121 21.080 -7.029 -7.491 1.00190.31 C ATOM 2051 CG2 ILE A 121 23.024 -6.757 -5.929 1.00158.01 C ATOM 2052 CD1 ILE A 121 19.972 -6.486 -6.616 1.00300.73 C ATOM 0 H ILE A 121 23.821 -9.522 -5.937 1.00104.94 H new ATOM 0 HA ILE A 121 22.375 -9.160 -8.330 1.00 94.04 H new ATOM 0 HB ILE A 121 21.714 -8.431 -5.991 1.00103.27 H new ATOM 0 HG12 ILE A 121 21.527 -6.206 -8.049 1.00190.31 H new ATOM 0 HG13 ILE A 121 20.651 -7.714 -8.222 1.00190.31 H new ATOM 0 HG21 ILE A 121 22.382 -6.176 -5.267 1.00158.01 H new ATOM 0 HG22 ILE A 121 23.766 -7.293 -5.337 1.00158.01 H new ATOM 0 HG23 ILE A 121 23.530 -6.087 -6.624 1.00158.01 H new ATOM 0 HD11 ILE A 121 19.230 -5.984 -7.238 1.00300.73 H new ATOM 0 HD12 ILE A 121 19.498 -7.307 -6.077 1.00300.73 H new ATOM 0 HD13 ILE A 121 20.388 -5.775 -5.902 1.00300.73 H new ATOM 2064 N ASN A 122 25.185 -7.530 -8.124 1.00110.64 N ATOM 2065 CA ASN A 122 26.139 -6.712 -8.874 1.00161.78 C ATOM 2066 C ASN A 122 26.418 -7.318 -10.249 1.00194.23 C ATOM 2067 O ASN A 122 26.613 -6.599 -11.228 1.00241.72 O ATOM 2068 CB ASN A 122 27.452 -6.558 -8.100 1.00211.29 C ATOM 2069 CG ASN A 122 27.331 -5.624 -6.911 1.00326.65 C ATOM 2070 OD1 ASN A 122 26.437 -4.780 -6.857 1.00450.08 O ATOM 2071 ND2 ASN A 122 28.236 -5.766 -5.952 1.00595.29 N ATOM 0 H ASN A 122 25.564 -7.938 -7.269 1.00110.64 H new ATOM 0 HA ASN A 122 25.692 -5.727 -9.010 1.00161.78 H new ATOM 0 HB2 ASN A 122 27.781 -7.538 -7.754 1.00211.29 H new ATOM 0 HB3 ASN A 122 28.223 -6.183 -8.773 1.00211.29 H new ATOM 0 HD21 ASN A 122 28.207 -5.163 -5.130 1.00595.29 H new ATOM 0 HD22 ASN A 122 28.961 -6.479 -6.036 1.00595.29 H new ATOM 2078 N ARG A 123 26.444 -8.647 -10.303 1.00196.99 N ATOM 2079 CA ARG A 123 26.719 -9.369 -11.544 1.00260.37 C ATOM 2080 C ARG A 123 25.452 -9.596 -12.376 1.00234.34 C ATOM 2081 O ARG A 123 25.515 -10.168 -13.464 1.00276.38 O ATOM 2082 CB ARG A 123 27.366 -10.719 -11.224 1.00316.55 C ATOM 2083 CG ARG A 123 28.740 -10.602 -10.581 1.00395.08 C ATOM 2084 CD ARG A 123 29.321 -11.969 -10.259 1.00495.61 C ATOM 2085 NE ARG A 123 30.624 -11.870 -9.607 1.00675.29 N ATOM 2086 CZ ARG A 123 31.338 -12.923 -9.218 1.00999.99 C ATOM 2087 NH1 ARG A 123 30.876 -14.151 -9.422 1.00999.99 N1+ ATOM 2088 NH2 ARG A 123 32.511 -12.748 -8.624 1.00999.99 N ATOM 0 H ARG A 123 26.277 -9.250 -9.497 1.00196.99 H new ATOM 0 HA ARG A 123 27.398 -8.754 -12.135 1.00260.37 H new ATOM 0 HB2 ARG A 123 26.709 -11.278 -10.557 1.00316.55 H new ATOM 0 HB3 ARG A 123 27.453 -11.297 -12.144 1.00316.55 H new ATOM 0 HG2 ARG A 123 29.413 -10.068 -11.252 1.00395.08 H new ATOM 0 HG3 ARG A 123 28.667 -10.012 -9.667 1.00395.08 H new ATOM 0 HD2 ARG A 123 28.632 -12.512 -9.612 1.00495.61 H new ATOM 0 HD3 ARG A 123 29.418 -12.547 -11.178 1.00495.61 H new ATOM 0 HE ARG A 123 31.009 -10.940 -9.440 1.00675.29 H new ATOM 0 HH11 ARG A 123 29.973 -14.287 -9.877 1.00999.99 H new ATOM 0 HH12 ARG A 123 31.424 -14.958 -9.124 1.00999.99 H new ATOM 0 HH21 ARG A 123 32.867 -11.805 -8.465 1.00999.99 H new ATOM 0 HH22 ARG A 123 33.057 -13.556 -8.326 1.00999.99 H new ATOM 2102 N MET A 124 24.303 -9.156 -11.867 1.00186.25 N ATOM 2103 CA MET A 124 23.040 -9.337 -12.583 1.00179.69 C ATOM 2104 C MET A 124 22.767 -8.180 -13.541 1.00149.83 C ATOM 2105 O MET A 124 22.853 -7.012 -13.158 1.00138.38 O ATOM 2106 CB MET A 124 21.869 -9.453 -11.603 1.00184.23 C ATOM 2107 CG MET A 124 21.957 -10.642 -10.660 1.00219.81 C ATOM 2108 SD MET A 124 20.582 -10.685 -9.491 1.00303.00 S ATOM 2109 CE MET A 124 21.088 -12.017 -8.407 1.00385.68 C ATOM 0 H MET A 124 24.219 -8.676 -10.971 1.00186.25 H new ATOM 0 HA MET A 124 23.132 -10.259 -13.157 1.00179.69 H new ATOM 0 HB2 MET A 124 21.813 -8.539 -11.012 1.00184.23 H new ATOM 0 HB3 MET A 124 20.941 -9.522 -12.171 1.00184.23 H new ATOM 0 HG2 MET A 124 21.968 -11.564 -11.241 1.00219.81 H new ATOM 0 HG3 MET A 124 22.898 -10.600 -10.111 1.00219.81 H new ATOM 0 HE1 MET A 124 20.220 -12.400 -7.871 1.00385.68 H new ATOM 0 HE2 MET A 124 21.532 -12.818 -8.998 1.00385.68 H new ATOM 0 HE3 MET A 124 21.821 -11.645 -7.691 1.00385.68 H new ATOM 2119 N ARG A 125 22.467 -8.520 -14.797 1.00150.14 N ATOM 2120 CA ARG A 125 22.139 -7.525 -15.822 1.00134.69 C ATOM 2121 C ARG A 125 21.010 -6.606 -15.345 1.00112.74 C ATOM 2122 O ARG A 125 20.070 -7.071 -14.701 1.00109.40 O ATOM 2123 CB ARG A 125 21.735 -8.217 -17.126 1.00146.40 C ATOM 2124 CG ARG A 125 22.884 -8.926 -17.828 1.00210.37 C ATOM 2125 CD ARG A 125 23.919 -7.938 -18.349 1.00374.62 C ATOM 2126 NE ARG A 125 24.954 -8.599 -19.140 1.00500.03 N ATOM 2127 CZ ARG A 125 25.998 -7.966 -19.668 1.00766.96 C ATOM 2128 NH1 ARG A 125 26.144 -6.658 -19.489 1.00973.30 N1+ ATOM 2129 NH2 ARG A 125 26.896 -8.642 -20.375 1.00999.99 N ATOM 0 H ARG A 125 22.444 -9.484 -15.130 1.00150.14 H new ATOM 0 HA ARG A 125 23.026 -6.919 -16.003 1.00134.69 H new ATOM 0 HB2 ARG A 125 20.949 -8.942 -16.913 1.00146.40 H new ATOM 0 HB3 ARG A 125 21.310 -7.476 -17.803 1.00146.40 H new ATOM 0 HG2 ARG A 125 23.360 -9.621 -17.136 1.00210.37 H new ATOM 0 HG3 ARG A 125 22.495 -9.517 -18.657 1.00210.37 H new ATOM 0 HD2 ARG A 125 23.424 -7.182 -18.958 1.00374.62 H new ATOM 0 HD3 ARG A 125 24.380 -7.419 -17.509 1.00374.62 H new ATOM 0 HE ARG A 125 24.871 -9.604 -19.296 1.00500.03 H new ATOM 0 HH11 ARG A 125 25.455 -6.138 -18.946 1.00973.30 H new ATOM 0 HH12 ARG A 125 26.945 -6.174 -19.894 1.00973.30 H new ATOM 0 HH21 ARG A 125 26.785 -9.647 -20.513 1.00999.99 H new ATOM 0 HH22 ARG A 125 27.697 -8.157 -20.780 1.00999.99 H new ATOM 2143 N PRO A 126 21.071 -5.297 -15.684 1.00110.35 N ATOM 2144 CA PRO A 126 20.049 -4.309 -15.277 1.00104.28 C ATOM 2145 C PRO A 126 18.623 -4.734 -15.630 1.00 98.38 C ATOM 2146 O PRO A 126 17.686 -4.480 -14.875 1.00102.62 O ATOM 2147 CB PRO A 126 20.442 -3.062 -16.071 1.00117.82 C ATOM 2148 CG PRO A 126 21.912 -3.200 -16.255 1.00149.60 C ATOM 2149 CD PRO A 126 22.148 -4.668 -16.477 1.00128.99 C ATOM 0 HA PRO A 126 20.032 -4.171 -14.196 1.00104.28 H new ATOM 0 HB2 PRO A 126 19.922 -3.018 -17.028 1.00117.82 H new ATOM 0 HB3 PRO A 126 20.191 -2.149 -15.530 1.00117.82 H new ATOM 0 HG2 PRO A 126 22.259 -2.613 -17.105 1.00149.60 H new ATOM 0 HG3 PRO A 126 22.453 -2.843 -15.379 1.00149.60 H new ATOM 0 HD2 PRO A 126 22.081 -4.933 -17.532 1.00128.99 H new ATOM 0 HD3 PRO A 126 23.136 -4.975 -16.133 1.00128.99 H new ATOM 2157 N ALA A 127 18.472 -5.380 -16.782 1.00102.37 N ATOM 2158 CA ALA A 127 17.173 -5.857 -17.250 1.00111.34 C ATOM 2159 C ALA A 127 16.557 -6.874 -16.287 1.00122.44 C ATOM 2160 O ALA A 127 15.340 -6.914 -16.107 1.00147.02 O ATOM 2161 CB ALA A 127 17.308 -6.466 -18.637 1.00124.74 C ATOM 0 H ALA A 127 19.243 -5.588 -17.416 1.00102.37 H new ATOM 0 HA ALA A 127 16.504 -4.998 -17.294 1.00111.34 H new ATOM 0 HB1 ALA A 127 16.334 -6.818 -18.976 1.00124.74 H new ATOM 0 HB2 ALA A 127 17.683 -5.713 -19.330 1.00124.74 H new ATOM 0 HB3 ALA A 127 18.004 -7.304 -18.600 1.00124.74 H new ATOM 2167 N ASP A 128 17.402 -7.702 -15.678 1.00119.66 N ATOM 2168 CA ASP A 128 16.935 -8.742 -14.761 1.00143.76 C ATOM 2169 C ASP A 128 16.894 -8.266 -13.309 1.00139.80 C ATOM 2170 O ASP A 128 16.551 -9.041 -12.415 1.00168.58 O ATOM 2171 CB ASP A 128 17.825 -9.985 -14.863 1.00162.48 C ATOM 2172 CG ASP A 128 17.840 -10.586 -16.252 1.00236.45 C ATOM 2173 OD1 ASP A 128 18.718 -10.204 -17.055 1.00277.81 O ATOM 2174 OD2 ASP A 128 16.974 -11.439 -16.539 1.00360.37 O1- ATOM 0 H ASP A 128 18.414 -7.674 -15.802 1.00119.66 H new ATOM 0 HA ASP A 128 15.916 -8.988 -15.060 1.00143.76 H new ATOM 0 HB2 ASP A 128 18.843 -9.721 -14.576 1.00162.48 H new ATOM 0 HB3 ASP A 128 17.477 -10.734 -14.152 1.00162.48 H new ATOM 2179 N VAL A 129 17.248 -7.008 -13.064 1.00120.14 N ATOM 2180 CA VAL A 129 17.232 -6.470 -11.705 1.00130.04 C ATOM 2181 C VAL A 129 15.875 -5.845 -11.380 1.00125.41 C ATOM 2182 O VAL A 129 15.489 -4.835 -11.969 1.00112.69 O ATOM 2183 CB VAL A 129 18.346 -5.418 -11.489 1.00135.68 C ATOM 2184 CG1 VAL A 129 18.311 -4.872 -10.068 1.00183.43 C ATOM 2185 CG2 VAL A 129 19.712 -6.012 -11.791 1.00187.93 C ATOM 0 H VAL A 129 17.547 -6.346 -13.780 1.00120.14 H new ATOM 0 HA VAL A 129 17.414 -7.309 -11.033 1.00130.04 H new ATOM 0 HB VAL A 129 18.165 -4.593 -12.178 1.00135.68 H new ATOM 0 HG11 VAL A 129 19.104 -4.135 -9.942 1.00183.43 H new ATOM 0 HG12 VAL A 129 17.345 -4.402 -9.883 1.00183.43 H new ATOM 0 HG13 VAL A 129 18.459 -5.688 -9.361 1.00183.43 H new ATOM 0 HG21 VAL A 129 20.481 -5.256 -11.633 1.00187.93 H new ATOM 0 HG22 VAL A 129 19.895 -6.859 -11.130 1.00187.93 H new ATOM 0 HG23 VAL A 129 19.742 -6.348 -12.827 1.00187.93 H new ATOM 2195 N PRO A 130 15.127 -6.455 -10.440 1.00153.16 N ATOM 2196 CA PRO A 130 13.810 -5.959 -10.027 1.00165.65 C ATOM 2197 C PRO A 130 13.898 -4.731 -9.121 1.00148.60 C ATOM 2198 O PRO A 130 14.919 -4.498 -8.471 1.00149.75 O ATOM 2199 CB PRO A 130 13.218 -7.147 -9.269 1.00213.33 C ATOM 2200 CG PRO A 130 14.402 -7.842 -8.694 1.00265.39 C ATOM 2201 CD PRO A 130 15.506 -7.682 -9.706 1.00195.88 C ATOM 0 HA PRO A 130 13.212 -5.630 -10.877 1.00165.65 H new ATOM 0 HB2 PRO A 130 12.531 -6.819 -8.489 1.00213.33 H new ATOM 0 HB3 PRO A 130 12.655 -7.803 -9.934 1.00213.33 H new ATOM 0 HG2 PRO A 130 14.684 -7.405 -7.736 1.00265.39 H new ATOM 0 HG3 PRO A 130 14.187 -8.895 -8.513 1.00265.39 H new ATOM 0 HD2 PRO A 130 16.479 -7.578 -9.226 1.00195.88 H new ATOM 0 HD3 PRO A 130 15.569 -8.544 -10.370 1.00195.88 H new ATOM 2209 N VAL A 131 12.824 -3.951 -9.079 1.00152.18 N ATOM 2210 CA VAL A 131 12.779 -2.759 -8.244 1.00147.96 C ATOM 2211 C VAL A 131 11.588 -2.822 -7.290 1.00172.15 C ATOM 2212 O VAL A 131 10.618 -3.538 -7.546 1.00211.66 O ATOM 2213 CB VAL A 131 12.686 -1.466 -9.093 1.00167.12 C ATOM 2214 CG1 VAL A 131 13.907 -1.318 -9.989 1.00246.78 C ATOM 2215 CG2 VAL A 131 11.407 -1.448 -9.924 1.00227.19 C ATOM 0 H VAL A 131 11.973 -4.124 -9.614 1.00152.18 H new ATOM 0 HA VAL A 131 13.708 -2.730 -7.674 1.00147.96 H new ATOM 0 HB VAL A 131 12.658 -0.618 -8.408 1.00167.12 H new ATOM 0 HG11 VAL A 131 13.819 -0.403 -10.575 1.00246.78 H new ATOM 0 HG12 VAL A 131 14.806 -1.270 -9.374 1.00246.78 H new ATOM 0 HG13 VAL A 131 13.972 -2.174 -10.660 1.00246.78 H new ATOM 0 HG21 VAL A 131 11.367 -0.530 -10.510 1.00227.19 H new ATOM 0 HG22 VAL A 131 11.397 -2.307 -10.594 1.00227.19 H new ATOM 0 HG23 VAL A 131 10.542 -1.494 -9.262 1.00227.19 H new ATOM 2225 N LYS A 132 11.663 -2.079 -6.192 1.00176.59 N ATOM 2226 CA LYS A 132 10.582 -2.069 -5.214 1.00221.54 C ATOM 2227 C LYS A 132 10.204 -0.644 -4.819 1.00177.73 C ATOM 2228 O LYS A 132 11.052 0.248 -4.770 1.00160.46 O ATOM 2229 CB LYS A 132 10.979 -2.873 -3.971 1.00322.36 C ATOM 2230 CG LYS A 132 12.317 -2.460 -3.370 1.00501.64 C ATOM 2231 CD LYS A 132 12.728 -3.379 -2.230 1.00646.40 C ATOM 2232 CE LYS A 132 11.838 -3.196 -1.009 1.00938.49 C ATOM 2233 NZ LYS A 132 12.277 -4.045 0.133 1.00999.99 N1+ ATOM 0 H LYS A 132 12.455 -1.480 -5.958 1.00176.59 H new ATOM 0 HA LYS A 132 9.711 -2.534 -5.675 1.00221.54 H new ATOM 0 HB2 LYS A 132 10.202 -2.761 -3.215 1.00322.36 H new ATOM 0 HB3 LYS A 132 11.020 -3.930 -4.232 1.00322.36 H new ATOM 0 HG2 LYS A 132 13.084 -2.475 -4.144 1.00501.64 H new ATOM 0 HG3 LYS A 132 12.252 -1.435 -3.006 1.00501.64 H new ATOM 0 HD2 LYS A 132 12.680 -4.416 -2.563 1.00646.40 H new ATOM 0 HD3 LYS A 132 13.764 -3.180 -1.958 1.00646.40 H new ATOM 0 HE2 LYS A 132 11.848 -2.149 -0.707 1.00938.49 H new ATOM 0 HE3 LYS A 132 10.809 -3.443 -1.270 1.00938.49 H new ATOM 0 HZ1 LYS A 132 11.644 -3.890 0.944 1.00999.99 H new ATOM 0 HZ2 LYS A 132 12.244 -5.046 -0.146 1.00999.99 H new ATOM 0 HZ3 LYS A 132 13.250 -3.792 0.400 1.00999.99 H new ATOM 2247 N TYR A 133 8.918 -0.443 -4.555 1.00198.47 N ATOM 2248 CA TYR A 133 8.402 0.863 -4.161 1.00193.72 C ATOM 2249 C TYR A 133 8.555 1.082 -2.656 1.00206.40 C ATOM 2250 O TYR A 133 8.849 0.146 -1.912 1.00307.93 O ATOM 2251 CB TYR A 133 6.933 1.003 -4.572 1.00262.32 C ATOM 2252 CG TYR A 133 6.698 0.774 -6.050 1.00288.85 C ATOM 2253 CD1 TYR A 133 5.978 -0.328 -6.495 1.00366.86 C ATOM 2254 CD2 TYR A 133 7.207 1.652 -7.002 1.00322.38 C ATOM 2255 CE1 TYR A 133 5.770 -0.548 -7.843 1.00427.35 C ATOM 2256 CE2 TYR A 133 7.000 1.438 -8.352 1.00378.39 C ATOM 2257 CZ TYR A 133 6.282 0.337 -8.767 1.00405.19 C ATOM 2258 OH TYR A 133 6.074 0.121 -10.109 1.00495.41 O ATOM 0 H TYR A 133 8.209 -1.174 -4.607 1.00198.47 H new ATOM 0 HA TYR A 133 8.985 1.626 -4.676 1.00193.72 H new ATOM 0 HB2 TYR A 133 6.335 0.292 -4.002 1.00262.32 H new ATOM 0 HB3 TYR A 133 6.582 2.000 -4.306 1.00262.32 H new ATOM 0 HD1 TYR A 133 5.574 -1.024 -5.775 1.00366.86 H new ATOM 0 HD2 TYR A 133 7.773 2.514 -6.681 1.00322.38 H new ATOM 0 HE1 TYR A 133 5.208 -1.410 -8.171 1.00427.35 H new ATOM 0 HE2 TYR A 133 7.399 2.130 -9.078 1.00378.39 H new ATOM 0 HH TYR A 133 6.499 0.837 -10.625 1.00495.41 H new ATOM 2268 N MET A 134 8.351 2.318 -2.213 1.00190.99 N ATOM 2269 CA MET A 134 8.467 2.651 -0.795 1.00213.99 C ATOM 2270 C MET A 134 7.264 2.131 -0.012 1.00260.47 C ATOM 2271 O MET A 134 7.398 1.937 1.215 1.00435.79 O ATOM 2272 CB MET A 134 8.584 4.166 -0.608 1.00301.25 C ATOM 2273 CG MET A 134 9.900 4.747 -1.101 1.00435.87 C ATOM 2274 SD MET A 134 9.936 6.550 -1.007 1.00688.60 S ATOM 2275 CE MET A 134 10.008 6.799 0.765 1.00761.34 C ATOM 2276 OXT MET A 134 6.199 1.926 -0.631 1.00367.68 O ATOM 0 H MET A 134 8.105 3.105 -2.813 1.00190.99 H new ATOM 0 HA MET A 134 9.368 2.171 -0.413 1.00213.99 H new ATOM 0 HB2 MET A 134 7.763 4.652 -1.135 1.00301.25 H new ATOM 0 HB3 MET A 134 8.467 4.402 0.450 1.00301.25 H new ATOM 0 HG2 MET A 134 10.719 4.339 -0.508 1.00435.87 H new ATOM 0 HG3 MET A 134 10.067 4.436 -2.132 1.00435.87 H new ATOM 0 HE1 MET A 134 10.231 7.845 0.977 1.00761.34 H new ATOM 0 HE2 MET A 134 9.048 6.536 1.209 1.00761.34 H new ATOM 0 HE3 MET A 134 10.789 6.168 1.190 1.00761.34 H new TER 2286 MET A 134