USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 775 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 87 SER OG : rot 150:sc= 0.316 USER MOD Set 1.2: A 89 GLN : amide:sc= -2.59 K(o=-2.3,f=0.19) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.97 K(o=-2.4,f=-0.49!) USER MOD Set 2.2: A 84 THR OG1 : rot -150:sc= -0.458 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 139:sc= -0.0619 (180deg=-2.13!) USER MOD Set 3.2: A 65 TYR OH : rot -76:sc= -0.554 USER MOD Set 4.1: A 50 HIS : no HD1:sc= -0.0762 K(o=-0.2,f=-1.2) USER MOD Set 4.2: A 105 CYS SG : rot -43:sc= -0.127 USER MOD Set 5.1: A 44 SER OG : rot 31:sc= 1.18 USER MOD Set 5.2: A 51 SER OG : rot 23:sc= 0.164 USER MOD Set 5.3: A 52 THR OG1 : rot -28:sc= 1.19 USER MOD Single : A 38 ASN : amide:sc= -0.822 K(o=-0.82,f=-2.5!) USER MOD Single : A 41 MET CE :methyl 171:sc= -5.97 (180deg=-6.57!) USER MOD Single : A 45 LYS NZ :NH3+ 132:sc= -0.833 (180deg=-1.63) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 5:sc= -0.567 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 1:sc= 0.54! USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.34) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.07) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 94 ASN : amide:sc= -2.76! K(o=-2.8!,f=-1.8) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.281) USER MOD Single : A 101 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.21) USER MOD Single : A 108 THR OG1 : rot 63:sc= -1.58 USER MOD Single : A 110 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.276 K(o=-0.28,f=-1.7) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.9) USER MOD Single : A 118 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.3!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 27 2.897 -2.562 -5.382 1.00 45.43 N ATOM 66 CA LEU A 27 4.023 -3.259 -5.995 1.00 71.23 C ATOM 67 C LEU A 27 3.541 -4.244 -7.055 1.00 43.02 C ATOM 68 O LEU A 27 3.943 -4.168 -8.216 1.00 51.24 O ATOM 69 CB LEU A 27 4.834 -3.995 -4.928 1.00 74.23 C ATOM 70 CG LEU A 27 5.782 -5.082 -5.438 1.00 23.53 C ATOM 71 CD1 LEU A 27 7.204 -4.812 -4.971 1.00 11.23 C ATOM 72 CD2 LEU A 27 5.318 -6.455 -4.973 1.00 23.04 C ATOM 0 HA LEU A 27 4.659 -2.517 -6.478 1.00 71.23 H new ATOM 0 HB2 LEU A 27 5.419 -3.261 -4.374 1.00 74.23 H new ATOM 0 HB3 LEU A 27 4.140 -4.449 -4.221 1.00 74.23 H new ATOM 0 HG LEU A 27 5.770 -5.066 -6.528 1.00 23.53 H new ATOM 0 HD11 LEU A 27 7.864 -5.595 -5.343 1.00 11.23 H new ATOM 0 HD12 LEU A 27 7.535 -3.846 -5.353 1.00 11.23 H new ATOM 0 HD13 LEU A 27 7.233 -4.800 -3.881 1.00 11.23 H new ATOM 0 HD21 LEU A 27 6.004 -7.216 -5.345 1.00 23.04 H new ATOM 0 HD22 LEU A 27 5.301 -6.483 -3.884 1.00 23.04 H new ATOM 0 HD23 LEU A 27 4.317 -6.650 -5.357 1.00 23.04 H new ATOM 84 N ARG A 28 2.677 -5.168 -6.647 1.00 72.14 N ATOM 85 CA ARG A 28 2.139 -6.168 -7.562 1.00 43.42 C ATOM 86 C ARG A 28 1.573 -5.509 -8.817 1.00 11.41 C ATOM 87 O ARG A 28 1.647 -6.068 -9.911 1.00 33.53 O ATOM 88 CB ARG A 28 1.051 -6.990 -6.869 1.00 72.43 C ATOM 89 CG ARG A 28 0.834 -8.361 -7.491 1.00 42.15 C ATOM 90 CD ARG A 28 0.114 -8.258 -8.827 1.00 34.44 C ATOM 91 NE ARG A 28 -1.024 -9.171 -8.905 1.00 52.40 N ATOM 92 CZ ARG A 28 -2.057 -8.988 -9.720 1.00 14.13 C ATOM 93 NH1 ARG A 28 -2.095 -7.933 -10.523 1.00 33.44 N ATOM 94 NH2 ARG A 28 -3.056 -9.862 -9.734 1.00 32.34 N ATOM 0 H ARG A 28 2.335 -5.245 -5.689 1.00 72.14 H new ATOM 0 HA ARG A 28 2.953 -6.830 -7.857 1.00 43.42 H new ATOM 0 HB2 ARG A 28 1.315 -7.114 -5.819 1.00 72.43 H new ATOM 0 HB3 ARG A 28 0.114 -6.435 -6.898 1.00 72.43 H new ATOM 0 HG2 ARG A 28 1.796 -8.855 -7.632 1.00 42.15 H new ATOM 0 HG3 ARG A 28 0.253 -8.983 -6.810 1.00 42.15 H new ATOM 0 HD2 ARG A 28 -0.231 -7.235 -8.975 1.00 34.44 H new ATOM 0 HD3 ARG A 28 0.813 -8.479 -9.634 1.00 34.44 H new ATOM 0 HE ARG A 28 -1.025 -9.993 -8.301 1.00 52.40 H new ATOM 0 HH11 ARG A 28 -1.329 -7.259 -10.516 1.00 33.44 H new ATOM 0 HH12 ARG A 28 -2.890 -7.796 -11.147 1.00 33.44 H new ATOM 0 HH21 ARG A 28 -3.031 -10.675 -9.119 1.00 32.34 H new ATOM 0 HH22 ARG A 28 -3.849 -9.721 -10.360 1.00 32.34 H new ATOM 108 N ARG A 29 1.007 -4.319 -8.649 1.00 51.42 N ATOM 109 CA ARG A 29 0.427 -3.584 -9.767 1.00 2.22 C ATOM 110 C ARG A 29 1.478 -3.304 -10.837 1.00 43.32 C ATOM 111 O ARG A 29 1.162 -3.217 -12.025 1.00 35.44 O ATOM 112 CB ARG A 29 -0.184 -2.269 -9.279 1.00 64.03 C ATOM 113 CG ARG A 29 -1.695 -2.205 -9.431 1.00 65.32 C ATOM 114 CD ARG A 29 -2.382 -2.023 -8.086 1.00 62.13 C ATOM 115 NE ARG A 29 -3.708 -1.430 -8.227 1.00 11.43 N ATOM 116 CZ ARG A 29 -3.914 -0.145 -8.493 1.00 53.34 C ATOM 117 NH1 ARG A 29 -2.884 0.677 -8.649 1.00 32.21 N ATOM 118 NH2 ARG A 29 -5.151 0.322 -8.606 1.00 32.23 N ATOM 0 H ARG A 29 0.937 -3.843 -7.750 1.00 51.42 H new ATOM 0 HA ARG A 29 -0.358 -4.200 -10.206 1.00 2.22 H new ATOM 0 HB2 ARG A 29 0.073 -2.126 -8.229 1.00 64.03 H new ATOM 0 HB3 ARG A 29 0.263 -1.443 -9.832 1.00 64.03 H new ATOM 0 HG2 ARG A 29 -1.961 -1.380 -10.091 1.00 65.32 H new ATOM 0 HG3 ARG A 29 -2.054 -3.120 -9.903 1.00 65.32 H new ATOM 0 HD2 ARG A 29 -2.468 -2.989 -7.589 1.00 62.13 H new ATOM 0 HD3 ARG A 29 -1.767 -1.389 -7.447 1.00 62.13 H new ATOM 0 HE ARG A 29 -4.521 -2.035 -8.115 1.00 11.43 H new ATOM 0 HH11 ARG A 29 -1.931 0.323 -8.565 1.00 32.21 H new ATOM 0 HH12 ARG A 29 -3.045 1.663 -8.853 1.00 32.21 H new ATOM 0 HH21 ARG A 29 -5.946 -0.306 -8.489 1.00 32.23 H new ATOM 0 HH22 ARG A 29 -5.307 1.309 -8.810 1.00 32.23 H new ATOM 132 N ARG A 30 2.728 -3.162 -10.409 1.00 41.23 N ATOM 133 CA ARG A 30 3.825 -2.889 -11.330 1.00 70.03 C ATOM 134 C ARG A 30 4.321 -4.177 -11.980 1.00 74.04 C ATOM 135 O ARG A 30 4.741 -4.178 -13.139 1.00 33.50 O ATOM 136 CB ARG A 30 4.976 -2.200 -10.596 1.00 3.33 C ATOM 137 CG ARG A 30 4.711 -0.736 -10.285 1.00 43.01 C ATOM 138 CD ARG A 30 6.006 0.057 -10.192 1.00 41.21 C ATOM 139 NE ARG A 30 5.814 1.342 -9.524 1.00 32.55 N ATOM 140 CZ ARG A 30 6.654 2.364 -9.642 1.00 63.15 C ATOM 141 NH1 ARG A 30 7.737 2.253 -10.399 1.00 74.31 N ATOM 142 NH2 ARG A 30 6.411 3.501 -9.003 1.00 74.21 N ATOM 0 H ARG A 30 3.006 -3.231 -9.430 1.00 41.23 H new ATOM 0 HA ARG A 30 3.454 -2.226 -12.112 1.00 70.03 H new ATOM 0 HB2 ARG A 30 5.171 -2.731 -9.664 1.00 3.33 H new ATOM 0 HB3 ARG A 30 5.879 -2.276 -11.201 1.00 3.33 H new ATOM 0 HG2 ARG A 30 4.075 -0.307 -11.060 1.00 43.01 H new ATOM 0 HG3 ARG A 30 4.165 -0.656 -9.345 1.00 43.01 H new ATOM 0 HD2 ARG A 30 6.750 -0.526 -9.649 1.00 41.21 H new ATOM 0 HD3 ARG A 30 6.401 0.225 -11.194 1.00 41.21 H new ATOM 0 HE ARG A 30 4.990 1.461 -8.935 1.00 32.55 H new ATOM 0 HH11 ARG A 30 7.927 1.381 -10.893 1.00 74.31 H new ATOM 0 HH12 ARG A 30 8.380 3.040 -10.488 1.00 74.31 H new ATOM 0 HH21 ARG A 30 5.579 3.591 -8.420 1.00 74.21 H new ATOM 0 HH22 ARG A 30 7.057 4.285 -9.094 1.00 74.21 H new ATOM 156 N LEU A 31 4.270 -5.271 -11.229 1.00 42.12 N ATOM 157 CA LEU A 31 4.714 -6.567 -11.733 1.00 2.45 C ATOM 158 C LEU A 31 3.785 -7.072 -12.832 1.00 11.54 C ATOM 159 O LEU A 31 4.202 -7.821 -13.715 1.00 45.34 O ATOM 160 CB LEU A 31 4.775 -7.585 -10.592 1.00 62.24 C ATOM 161 CG LEU A 31 5.362 -7.082 -9.274 1.00 14.44 C ATOM 162 CD1 LEU A 31 5.351 -8.186 -8.228 1.00 74.21 C ATOM 163 CD2 LEU A 31 6.774 -6.557 -9.483 1.00 40.45 C ATOM 0 H LEU A 31 3.926 -5.287 -10.269 1.00 42.12 H new ATOM 0 HA LEU A 31 5.711 -6.443 -12.156 1.00 2.45 H new ATOM 0 HB2 LEU A 31 3.765 -7.948 -10.402 1.00 62.24 H new ATOM 0 HB3 LEU A 31 5.363 -8.440 -10.926 1.00 62.24 H new ATOM 0 HG LEU A 31 4.741 -6.262 -8.913 1.00 14.44 H new ATOM 0 HD11 LEU A 31 5.773 -7.809 -7.296 1.00 74.21 H new ATOM 0 HD12 LEU A 31 4.326 -8.514 -8.056 1.00 74.21 H new ATOM 0 HD13 LEU A 31 5.947 -9.028 -8.581 1.00 74.21 H new ATOM 0 HD21 LEU A 31 7.175 -6.203 -8.533 1.00 40.45 H new ATOM 0 HD22 LEU A 31 7.406 -7.357 -9.869 1.00 40.45 H new ATOM 0 HD23 LEU A 31 6.754 -5.734 -10.197 1.00 40.45 H new ATOM 175 N ARG A 32 2.525 -6.654 -12.772 1.00 34.42 N ATOM 176 CA ARG A 32 1.537 -7.064 -13.763 1.00 64.21 C ATOM 177 C ARG A 32 1.576 -6.145 -14.981 1.00 3.01 C ATOM 178 O ARG A 32 1.167 -6.532 -16.077 1.00 21.15 O ATOM 179 CB ARG A 32 0.135 -7.056 -13.151 1.00 21.33 C ATOM 180 CG ARG A 32 -0.585 -8.390 -13.262 1.00 21.11 C ATOM 181 CD ARG A 32 -0.576 -8.911 -14.690 1.00 51.34 C ATOM 182 NE ARG A 32 -1.853 -9.515 -15.061 1.00 72.54 N ATOM 183 CZ ARG A 32 -2.288 -10.671 -14.572 1.00 63.13 C ATOM 184 NH1 ARG A 32 -1.553 -11.344 -13.699 1.00 3.25 N ATOM 185 NH2 ARG A 32 -3.461 -11.156 -14.958 1.00 11.20 N ATOM 0 H ARG A 32 2.164 -6.032 -12.048 1.00 34.42 H new ATOM 0 HA ARG A 32 1.780 -8.077 -14.084 1.00 64.21 H new ATOM 0 HB2 ARG A 32 0.208 -6.779 -12.099 1.00 21.33 H new ATOM 0 HB3 ARG A 32 -0.462 -6.288 -13.642 1.00 21.33 H new ATOM 0 HG2 ARG A 32 -0.108 -9.118 -12.605 1.00 21.11 H new ATOM 0 HG3 ARG A 32 -1.614 -8.279 -12.921 1.00 21.11 H new ATOM 0 HD2 ARG A 32 -0.350 -8.092 -15.373 1.00 51.34 H new ATOM 0 HD3 ARG A 32 0.219 -9.648 -14.802 1.00 51.34 H new ATOM 0 HE ARG A 32 -2.443 -9.023 -15.732 1.00 72.54 H new ATOM 0 HH11 ARG A 32 -0.650 -10.975 -13.400 1.00 3.25 H new ATOM 0 HH12 ARG A 32 -1.890 -12.231 -13.325 1.00 3.25 H new ATOM 0 HH21 ARG A 32 -4.029 -10.641 -15.631 1.00 11.20 H new ATOM 0 HH22 ARG A 32 -3.794 -12.044 -14.582 1.00 11.20 H new ATOM 199 N ASP A 33 2.070 -4.928 -14.783 1.00 31.54 N ATOM 200 CA ASP A 33 2.164 -3.955 -15.864 1.00 52.53 C ATOM 201 C ASP A 33 3.448 -4.151 -16.663 1.00 61.31 C ATOM 202 O ASP A 33 3.516 -3.809 -17.844 1.00 2.13 O ATOM 203 CB ASP A 33 2.108 -2.533 -15.305 1.00 43.30 C ATOM 204 CG ASP A 33 0.690 -2.073 -15.030 1.00 1.33 C ATOM 205 OD1 ASP A 33 -0.158 -2.928 -14.700 1.00 21.23 O ATOM 206 OD2 ASP A 33 0.428 -0.857 -15.145 1.00 2.44 O ATOM 0 H ASP A 33 2.412 -4.592 -13.883 1.00 31.54 H new ATOM 0 HA ASP A 33 1.316 -4.108 -16.532 1.00 52.53 H new ATOM 0 HB2 ASP A 33 2.687 -2.485 -14.383 1.00 43.30 H new ATOM 0 HB3 ASP A 33 2.578 -1.849 -16.012 1.00 43.30 H new ATOM 211 N LEU A 34 4.465 -4.703 -16.011 1.00 23.42 N ATOM 212 CA LEU A 34 5.750 -4.944 -16.660 1.00 32.54 C ATOM 213 C LEU A 34 5.576 -5.808 -17.905 1.00 62.33 C ATOM 214 O LEU A 34 6.418 -5.795 -18.803 1.00 60.21 O ATOM 215 CB LEU A 34 6.716 -5.622 -15.686 1.00 51.32 C ATOM 216 CG LEU A 34 8.166 -5.137 -15.734 1.00 11.31 C ATOM 217 CD1 LEU A 34 9.043 -5.989 -14.829 1.00 51.02 C ATOM 218 CD2 LEU A 34 8.688 -5.160 -17.163 1.00 41.12 C ATOM 0 H LEU A 34 4.425 -4.992 -15.034 1.00 23.42 H new ATOM 0 HA LEU A 34 6.164 -3.982 -16.962 1.00 32.54 H new ATOM 0 HB2 LEU A 34 6.339 -5.479 -14.673 1.00 51.32 H new ATOM 0 HB3 LEU A 34 6.706 -6.694 -15.882 1.00 51.32 H new ATOM 0 HG LEU A 34 8.199 -4.109 -15.373 1.00 11.31 H new ATOM 0 HD11 LEU A 34 10.071 -5.630 -14.876 1.00 51.02 H new ATOM 0 HD12 LEU A 34 8.681 -5.921 -13.803 1.00 51.02 H new ATOM 0 HD13 LEU A 34 9.006 -7.027 -15.159 1.00 51.02 H new ATOM 0 HD21 LEU A 34 9.721 -4.812 -17.179 1.00 41.12 H new ATOM 0 HD22 LEU A 34 8.642 -6.178 -17.551 1.00 41.12 H new ATOM 0 HD23 LEU A 34 8.076 -4.507 -17.785 1.00 41.12 H new ATOM 230 N ILE A 35 4.480 -6.557 -17.952 1.00 54.32 N ATOM 231 CA ILE A 35 4.194 -7.423 -19.088 1.00 63.35 C ATOM 232 C ILE A 35 3.669 -6.621 -20.274 1.00 24.43 C ATOM 233 O ILE A 35 3.812 -7.031 -21.425 1.00 62.32 O ATOM 234 CB ILE A 35 3.167 -8.511 -18.724 1.00 12.32 C ATOM 235 CG1 ILE A 35 3.597 -9.244 -17.450 1.00 44.34 C ATOM 236 CG2 ILE A 35 3.002 -9.492 -19.875 1.00 63.12 C ATOM 237 CD1 ILE A 35 2.710 -8.957 -16.260 1.00 33.24 C ATOM 0 H ILE A 35 3.775 -6.581 -17.215 1.00 54.32 H new ATOM 0 HA ILE A 35 5.134 -7.901 -19.363 1.00 63.35 H new ATOM 0 HB ILE A 35 2.205 -8.033 -18.539 1.00 12.32 H new ATOM 0 HG12 ILE A 35 3.599 -10.317 -17.641 1.00 44.34 H new ATOM 0 HG13 ILE A 35 4.621 -8.962 -17.206 1.00 44.34 H new ATOM 0 HG21 ILE A 35 2.273 -10.255 -19.601 1.00 63.12 H new ATOM 0 HG22 ILE A 35 2.655 -8.959 -20.760 1.00 63.12 H new ATOM 0 HG23 ILE A 35 3.960 -9.966 -20.089 1.00 63.12 H new ATOM 0 HD11 ILE A 35 3.074 -9.509 -15.394 1.00 33.24 H new ATOM 0 HD12 ILE A 35 2.727 -7.889 -16.043 1.00 33.24 H new ATOM 0 HD13 ILE A 35 1.689 -9.266 -16.484 1.00 33.24 H new ATOM 249 N GLU A 36 3.062 -5.474 -19.983 1.00 72.43 N ATOM 250 CA GLU A 36 2.515 -4.614 -21.026 1.00 45.13 C ATOM 251 C GLU A 36 3.551 -3.591 -21.484 1.00 50.33 C ATOM 252 O GLU A 36 3.580 -3.201 -22.651 1.00 44.33 O ATOM 253 CB GLU A 36 1.262 -3.896 -20.522 1.00 10.00 C ATOM 254 CG GLU A 36 0.325 -3.454 -21.633 1.00 44.41 C ATOM 255 CD GLU A 36 -0.790 -2.557 -21.133 1.00 12.21 C ATOM 256 OE1 GLU A 36 -1.395 -2.886 -20.091 1.00 42.32 O ATOM 257 OE2 GLU A 36 -1.058 -1.525 -21.785 1.00 31.01 O ATOM 0 H GLU A 36 2.937 -5.120 -19.035 1.00 72.43 H new ATOM 0 HA GLU A 36 2.247 -5.242 -21.876 1.00 45.13 H new ATOM 0 HB2 GLU A 36 0.722 -4.558 -19.845 1.00 10.00 H new ATOM 0 HB3 GLU A 36 1.562 -3.023 -19.943 1.00 10.00 H new ATOM 0 HG2 GLU A 36 0.896 -2.926 -22.396 1.00 44.41 H new ATOM 0 HG3 GLU A 36 -0.108 -4.334 -22.110 1.00 44.41 H new ATOM 264 N GLY A 37 4.400 -3.160 -20.556 1.00 64.22 N ATOM 265 CA GLY A 37 5.425 -2.186 -20.884 1.00 23.45 C ATOM 266 C GLY A 37 6.579 -2.795 -21.657 1.00 35.51 C ATOM 267 O GLY A 37 7.420 -2.078 -22.196 1.00 73.43 O ATOM 0 H GLY A 37 4.396 -3.468 -19.584 1.00 64.22 H new ATOM 0 HA2 GLY A 37 4.983 -1.382 -21.472 1.00 23.45 H new ATOM 0 HA3 GLY A 37 5.804 -1.738 -19.965 1.00 23.45 H new ATOM 271 N ASN A 38 6.618 -4.122 -21.708 1.00 74.21 N ATOM 272 CA ASN A 38 7.678 -4.828 -22.419 1.00 31.40 C ATOM 273 C ASN A 38 7.136 -6.080 -23.101 1.00 63.23 C ATOM 274 O ASN A 38 6.479 -6.908 -22.470 1.00 63.10 O ATOM 275 CB ASN A 38 8.803 -5.206 -21.454 1.00 63.34 C ATOM 276 CG ASN A 38 9.649 -4.012 -21.056 1.00 20.02 C ATOM 277 OD1 ASN A 38 9.797 -3.059 -21.821 1.00 21.14 O ATOM 278 ND2 ASN A 38 10.209 -4.059 -19.852 1.00 32.41 N ATOM 0 H ASN A 38 5.929 -4.730 -21.266 1.00 74.21 H new ATOM 0 HA ASN A 38 8.074 -4.161 -23.185 1.00 31.40 H new ATOM 0 HB2 ASN A 38 8.374 -5.658 -20.560 1.00 63.34 H new ATOM 0 HB3 ASN A 38 9.439 -5.960 -21.919 1.00 63.34 H new ATOM 0 HD21 ASN A 38 10.789 -3.285 -19.529 1.00 32.41 H new ATOM 0 HD22 ASN A 38 10.059 -4.869 -19.251 1.00 32.41 H new ATOM 285 N ARG A 39 7.416 -6.211 -24.394 1.00 24.40 N ATOM 286 CA ARG A 39 6.956 -7.363 -25.162 1.00 3.13 C ATOM 287 C ARG A 39 7.320 -8.666 -24.459 1.00 23.44 C ATOM 288 O ARG A 39 6.488 -9.562 -24.319 1.00 61.40 O ATOM 289 CB ARG A 39 7.562 -7.341 -26.566 1.00 45.43 C ATOM 290 CG ARG A 39 6.626 -7.862 -27.643 1.00 14.22 C ATOM 291 CD ARG A 39 6.990 -9.278 -28.061 1.00 32.11 C ATOM 292 NE ARG A 39 7.700 -9.307 -29.335 1.00 62.13 N ATOM 293 CZ ARG A 39 7.128 -9.036 -30.503 1.00 53.13 C ATOM 294 NH1 ARG A 39 5.842 -8.716 -30.556 1.00 24.23 N ATOM 295 NH2 ARG A 39 7.841 -9.084 -31.621 1.00 4.40 N ATOM 0 H ARG A 39 7.958 -5.535 -24.931 1.00 24.40 H new ATOM 0 HA ARG A 39 5.870 -7.305 -25.241 1.00 3.13 H new ATOM 0 HB2 ARG A 39 7.851 -6.319 -26.811 1.00 45.43 H new ATOM 0 HB3 ARG A 39 8.473 -7.939 -26.568 1.00 45.43 H new ATOM 0 HG2 ARG A 39 5.600 -7.843 -27.275 1.00 14.22 H new ATOM 0 HG3 ARG A 39 6.666 -7.204 -28.511 1.00 14.22 H new ATOM 0 HD2 ARG A 39 7.610 -9.735 -27.290 1.00 32.11 H new ATOM 0 HD3 ARG A 39 6.083 -9.878 -28.138 1.00 32.11 H new ATOM 0 HE ARG A 39 8.691 -9.549 -29.329 1.00 62.13 H new ATOM 0 HH11 ARG A 39 5.290 -8.678 -29.699 1.00 24.23 H new ATOM 0 HH12 ARG A 39 5.405 -8.508 -31.454 1.00 24.23 H new ATOM 0 HH21 ARG A 39 8.830 -9.329 -31.585 1.00 4.40 H new ATOM 0 HH22 ARG A 39 7.400 -8.876 -32.517 1.00 4.40 H new ATOM 309 N VAL A 40 8.571 -8.766 -24.018 1.00 40.41 N ATOM 310 CA VAL A 40 9.046 -9.960 -23.328 1.00 53.25 C ATOM 311 C VAL A 40 9.791 -9.596 -22.049 1.00 51.01 C ATOM 312 O VAL A 40 10.795 -8.884 -22.084 1.00 54.05 O ATOM 313 CB VAL A 40 9.974 -10.796 -24.230 1.00 55.22 C ATOM 314 CG1 VAL A 40 10.551 -11.972 -23.457 1.00 3.12 C ATOM 315 CG2 VAL A 40 9.226 -11.275 -25.465 1.00 74.21 C ATOM 0 H VAL A 40 9.273 -8.034 -24.126 1.00 40.41 H new ATOM 0 HA VAL A 40 8.166 -10.552 -23.076 1.00 53.25 H new ATOM 0 HB VAL A 40 10.801 -10.165 -24.556 1.00 55.22 H new ATOM 0 HG11 VAL A 40 11.204 -12.551 -24.110 1.00 3.12 H new ATOM 0 HG12 VAL A 40 11.124 -11.602 -22.606 1.00 3.12 H new ATOM 0 HG13 VAL A 40 9.739 -12.606 -23.100 1.00 3.12 H new ATOM 0 HG21 VAL A 40 9.897 -11.864 -26.091 1.00 74.21 H new ATOM 0 HG22 VAL A 40 8.379 -11.890 -25.162 1.00 74.21 H new ATOM 0 HG23 VAL A 40 8.866 -10.414 -26.029 1.00 74.21 H new ATOM 325 N MET A 41 9.293 -10.090 -20.920 1.00 51.15 N ATOM 326 CA MET A 41 9.913 -9.818 -19.629 1.00 2.24 C ATOM 327 C MET A 41 10.055 -11.099 -18.813 1.00 51.42 C ATOM 328 O MET A 41 9.149 -11.932 -18.787 1.00 14.41 O ATOM 329 CB MET A 41 9.089 -8.791 -18.849 1.00 61.42 C ATOM 330 CG MET A 41 8.221 -9.407 -17.765 1.00 12.24 C ATOM 331 SD MET A 41 6.754 -10.218 -18.427 1.00 74.52 S ATOM 332 CE MET A 41 6.121 -11.027 -16.959 1.00 45.32 C ATOM 0 H MET A 41 8.462 -10.680 -20.873 1.00 51.15 H new ATOM 0 HA MET A 41 10.908 -9.412 -19.811 1.00 2.24 H new ATOM 0 HB2 MET A 41 9.764 -8.065 -18.394 1.00 61.42 H new ATOM 0 HB3 MET A 41 8.453 -8.243 -19.545 1.00 61.42 H new ATOM 0 HG2 MET A 41 8.809 -10.132 -17.202 1.00 12.24 H new ATOM 0 HG3 MET A 41 7.917 -8.630 -17.064 1.00 12.24 H new ATOM 0 HE1 MET A 41 5.133 -11.437 -17.167 1.00 45.32 H new ATOM 0 HE2 MET A 41 6.795 -11.833 -16.669 1.00 45.32 H new ATOM 0 HE3 MET A 41 6.050 -10.303 -16.147 1.00 45.32 H new ATOM 342 N ILE A 42 11.197 -11.250 -18.151 1.00 13.45 N ATOM 343 CA ILE A 42 11.454 -12.429 -17.334 1.00 3.33 C ATOM 344 C ILE A 42 12.065 -12.045 -15.990 1.00 70.04 C ATOM 345 O ILE A 42 12.978 -11.221 -15.924 1.00 3.23 O ATOM 346 CB ILE A 42 12.397 -13.415 -18.050 1.00 14.21 C ATOM 347 CG1 ILE A 42 12.972 -12.776 -19.316 1.00 51.21 C ATOM 348 CG2 ILE A 42 11.660 -14.702 -18.388 1.00 31.14 C ATOM 349 CD1 ILE A 42 11.990 -12.723 -20.466 1.00 30.14 C ATOM 0 H ILE A 42 11.958 -10.571 -18.164 1.00 13.45 H new ATOM 0 HA ILE A 42 10.492 -12.913 -17.168 1.00 3.33 H new ATOM 0 HB ILE A 42 13.222 -13.657 -17.380 1.00 14.21 H new ATOM 0 HG12 ILE A 42 13.303 -11.764 -19.084 1.00 51.21 H new ATOM 0 HG13 ILE A 42 13.854 -13.336 -19.627 1.00 51.21 H new ATOM 0 HG21 ILE A 42 12.339 -15.388 -18.893 1.00 31.14 H new ATOM 0 HG22 ILE A 42 11.294 -15.163 -17.471 1.00 31.14 H new ATOM 0 HG23 ILE A 42 10.818 -14.478 -19.042 1.00 31.14 H new ATOM 0 HD11 ILE A 42 12.466 -12.258 -21.329 1.00 30.14 H new ATOM 0 HD12 ILE A 42 11.678 -13.735 -20.725 1.00 30.14 H new ATOM 0 HD13 ILE A 42 11.118 -12.138 -20.173 1.00 30.14 H new ATOM 361 N PHE A 43 11.557 -12.648 -14.921 1.00 72.20 N ATOM 362 CA PHE A 43 12.052 -12.370 -13.578 1.00 4.32 C ATOM 363 C PHE A 43 12.952 -13.499 -13.086 1.00 11.13 C ATOM 364 O PHE A 43 12.741 -14.665 -13.418 1.00 74.22 O ATOM 365 CB PHE A 43 10.883 -12.175 -12.610 1.00 14.21 C ATOM 366 CG PHE A 43 10.002 -11.010 -12.961 1.00 33.11 C ATOM 367 CD1 PHE A 43 9.208 -11.043 -14.097 1.00 1.43 C ATOM 368 CD2 PHE A 43 9.968 -9.882 -12.157 1.00 35.43 C ATOM 369 CE1 PHE A 43 8.396 -9.973 -14.423 1.00 12.41 C ATOM 370 CE2 PHE A 43 9.157 -8.811 -12.477 1.00 0.45 C ATOM 371 CZ PHE A 43 8.371 -8.854 -13.612 1.00 62.21 C ATOM 0 H PHE A 43 10.802 -13.333 -14.958 1.00 72.20 H new ATOM 0 HA PHE A 43 12.639 -11.452 -13.617 1.00 4.32 H new ATOM 0 HB2 PHE A 43 10.281 -13.083 -12.593 1.00 14.21 H new ATOM 0 HB3 PHE A 43 11.275 -12.033 -11.603 1.00 14.21 H new ATOM 0 HD1 PHE A 43 9.224 -11.915 -14.734 1.00 1.43 H new ATOM 0 HD2 PHE A 43 10.583 -9.840 -11.270 1.00 35.43 H new ATOM 0 HE1 PHE A 43 7.782 -10.011 -15.310 1.00 12.41 H new ATOM 0 HE2 PHE A 43 9.137 -7.939 -11.840 1.00 0.45 H new ATOM 0 HZ PHE A 43 7.739 -8.016 -13.865 1.00 62.21 H new ATOM 381 N SER A 44 13.956 -13.144 -12.290 1.00 54.02 N ATOM 382 CA SER A 44 14.892 -14.127 -11.755 1.00 13.33 C ATOM 383 C SER A 44 15.518 -13.628 -10.456 1.00 30.12 C ATOM 384 O SER A 44 15.022 -12.689 -9.833 1.00 73.23 O ATOM 385 CB SER A 44 15.986 -14.430 -12.779 1.00 22.33 C ATOM 386 OG SER A 44 16.166 -15.828 -12.933 1.00 21.21 O ATOM 0 H SER A 44 14.142 -12.184 -12.001 1.00 54.02 H new ATOM 0 HA SER A 44 14.340 -15.043 -11.544 1.00 13.33 H new ATOM 0 HB2 SER A 44 15.723 -13.986 -13.739 1.00 22.33 H new ATOM 0 HB3 SER A 44 16.923 -13.972 -12.462 1.00 22.33 H new ATOM 0 HG SER A 44 15.314 -16.287 -12.777 1.00 21.21 H new ATOM 392 N LYS A 45 16.613 -14.263 -10.053 1.00 41.12 N ATOM 393 CA LYS A 45 17.311 -13.886 -8.830 1.00 3.31 C ATOM 394 C LYS A 45 18.822 -13.999 -9.009 1.00 0.04 C ATOM 395 O LYS A 45 19.311 -14.210 -10.118 1.00 2.11 O ATOM 396 CB LYS A 45 16.857 -14.769 -7.665 1.00 42.34 C ATOM 397 CG LYS A 45 15.636 -14.235 -6.938 1.00 13.43 C ATOM 398 CD LYS A 45 15.897 -14.080 -5.449 1.00 42.33 C ATOM 399 CE LYS A 45 15.056 -12.965 -4.848 1.00 44.31 C ATOM 400 NZ LYS A 45 15.595 -12.509 -3.537 1.00 41.52 N ATOM 0 H LYS A 45 17.037 -15.042 -10.556 1.00 41.12 H new ATOM 0 HA LYS A 45 17.066 -12.848 -8.607 1.00 3.31 H new ATOM 0 HB2 LYS A 45 16.637 -15.768 -8.041 1.00 42.34 H new ATOM 0 HB3 LYS A 45 17.678 -14.869 -6.955 1.00 42.34 H new ATOM 0 HG2 LYS A 45 15.352 -13.271 -7.361 1.00 13.43 H new ATOM 0 HG3 LYS A 45 14.795 -14.911 -7.092 1.00 13.43 H new ATOM 0 HD2 LYS A 45 15.676 -15.018 -4.940 1.00 42.33 H new ATOM 0 HD3 LYS A 45 16.954 -13.869 -5.284 1.00 42.33 H new ATOM 0 HE2 LYS A 45 15.022 -12.123 -5.539 1.00 44.31 H new ATOM 0 HE3 LYS A 45 14.031 -13.313 -4.718 1.00 44.31 H new ATOM 0 HZ1 LYS A 45 15.646 -11.470 -3.525 1.00 41.52 H new ATOM 0 HZ2 LYS A 45 14.969 -12.834 -2.772 1.00 41.52 H new ATOM 0 HZ3 LYS A 45 16.547 -12.904 -3.397 1.00 41.52 H new ATOM 414 N SER A 46 19.556 -13.859 -7.909 1.00 14.12 N ATOM 415 CA SER A 46 21.011 -13.944 -7.945 1.00 51.31 C ATOM 416 C SER A 46 21.469 -15.398 -8.006 1.00 22.24 C ATOM 417 O SER A 46 22.279 -15.770 -8.856 1.00 14.53 O ATOM 418 CB SER A 46 21.613 -13.259 -6.716 1.00 55.44 C ATOM 419 OG SER A 46 23.021 -13.153 -6.831 1.00 23.13 O ATOM 0 H SER A 46 19.166 -13.686 -6.982 1.00 14.12 H new ATOM 0 HA SER A 46 21.358 -13.434 -8.844 1.00 51.31 H new ATOM 0 HB2 SER A 46 21.179 -12.266 -6.600 1.00 55.44 H new ATOM 0 HB3 SER A 46 21.360 -13.825 -5.820 1.00 55.44 H new ATOM 0 HG SER A 46 23.382 -12.711 -6.034 1.00 23.13 H new ATOM 425 N TYR A 47 20.945 -16.215 -7.099 1.00 31.11 N ATOM 426 CA TYR A 47 21.301 -17.628 -7.046 1.00 61.14 C ATOM 427 C TYR A 47 20.054 -18.506 -7.063 1.00 54.35 C ATOM 428 O TYR A 47 19.735 -19.170 -6.077 1.00 14.50 O ATOM 429 CB TYR A 47 22.128 -17.922 -5.793 1.00 43.42 C ATOM 430 CG TYR A 47 21.804 -17.013 -4.628 1.00 62.54 C ATOM 431 CD1 TYR A 47 20.656 -17.206 -3.871 1.00 32.22 C ATOM 432 CD2 TYR A 47 22.646 -15.963 -4.287 1.00 5.22 C ATOM 433 CE1 TYR A 47 20.355 -16.378 -2.806 1.00 20.13 C ATOM 434 CE2 TYR A 47 22.355 -15.131 -3.223 1.00 15.34 C ATOM 435 CZ TYR A 47 21.208 -15.343 -2.486 1.00 2.22 C ATOM 436 OH TYR A 47 20.913 -14.516 -1.426 1.00 22.22 O ATOM 0 H TYR A 47 20.272 -15.923 -6.390 1.00 31.11 H new ATOM 0 HA TYR A 47 21.897 -17.858 -7.929 1.00 61.14 H new ATOM 0 HB2 TYR A 47 21.963 -18.957 -5.493 1.00 43.42 H new ATOM 0 HB3 TYR A 47 23.186 -17.826 -6.035 1.00 43.42 H new ATOM 0 HD1 TYR A 47 19.987 -18.017 -4.119 1.00 32.22 H new ATOM 0 HD2 TYR A 47 23.544 -15.794 -4.863 1.00 5.22 H new ATOM 0 HE1 TYR A 47 19.457 -16.541 -2.228 1.00 20.13 H new ATOM 0 HE2 TYR A 47 23.021 -14.320 -2.970 1.00 15.34 H new ATOM 0 HH TYR A 47 21.616 -13.839 -1.334 1.00 22.22 H new ATOM 446 N CYS A 48 19.352 -18.502 -8.191 1.00 31.40 N ATOM 447 CA CYS A 48 18.138 -19.299 -8.339 1.00 14.52 C ATOM 448 C CYS A 48 18.046 -19.896 -9.739 1.00 2.43 C ATOM 449 O CYS A 48 17.613 -19.245 -10.691 1.00 11.05 O ATOM 450 CB CYS A 48 16.904 -18.441 -8.054 1.00 50.13 C ATOM 451 SG CYS A 48 16.768 -17.888 -6.339 1.00 4.15 S ATOM 0 H CYS A 48 19.602 -17.957 -9.016 1.00 31.40 H new ATOM 0 HA CYS A 48 18.178 -20.116 -7.619 1.00 14.52 H new ATOM 0 HB2 CYS A 48 16.924 -17.567 -8.705 1.00 50.13 H new ATOM 0 HB3 CYS A 48 16.011 -19.011 -8.312 1.00 50.13 H new ATOM 0 HG CYS A 48 17.825 -18.258 -5.679 1.00 4.15 H new ATOM 457 N PRO A 49 18.463 -21.163 -9.870 1.00 72.45 N ATOM 458 CA PRO A 49 18.439 -21.876 -11.151 1.00 71.52 C ATOM 459 C PRO A 49 17.020 -22.193 -11.611 1.00 41.44 C ATOM 460 O PRO A 49 16.065 -22.068 -10.844 1.00 72.20 O ATOM 461 CB PRO A 49 19.204 -23.167 -10.853 1.00 65.21 C ATOM 462 CG PRO A 49 19.043 -23.374 -9.387 1.00 3.33 C ATOM 463 CD PRO A 49 18.991 -21.999 -8.779 1.00 11.32 C ATOM 0 HA PRO A 49 18.873 -21.283 -11.956 1.00 71.52 H new ATOM 0 HB2 PRO A 49 18.799 -24.006 -11.418 1.00 65.21 H new ATOM 0 HB3 PRO A 49 20.255 -23.076 -11.127 1.00 65.21 H new ATOM 0 HG2 PRO A 49 18.132 -23.932 -9.169 1.00 3.33 H new ATOM 0 HG3 PRO A 49 19.874 -23.950 -8.980 1.00 3.33 H new ATOM 0 HD2 PRO A 49 18.344 -21.972 -7.902 1.00 11.32 H new ATOM 0 HD3 PRO A 49 19.977 -21.664 -8.458 1.00 11.32 H new ATOM 471 N HIS A 50 16.888 -22.602 -12.869 1.00 42.14 N ATOM 472 CA HIS A 50 15.584 -22.938 -13.431 1.00 50.33 C ATOM 473 C HIS A 50 14.851 -21.681 -13.890 1.00 32.42 C ATOM 474 O HIS A 50 14.356 -21.615 -15.015 1.00 12.03 O ATOM 475 CB HIS A 50 14.739 -23.688 -12.401 1.00 64.53 C ATOM 476 CG HIS A 50 13.933 -24.806 -12.988 1.00 64.23 C ATOM 477 ND1 HIS A 50 13.637 -25.963 -12.299 1.00 10.50 N ATOM 478 CD2 HIS A 50 13.360 -24.939 -14.207 1.00 50.21 C ATOM 479 CE1 HIS A 50 12.917 -26.760 -13.069 1.00 44.11 C ATOM 480 NE2 HIS A 50 12.735 -26.162 -14.232 1.00 53.33 N ATOM 0 H HIS A 50 17.667 -22.709 -13.518 1.00 42.14 H new ATOM 0 HA HIS A 50 15.743 -23.581 -14.296 1.00 50.33 H new ATOM 0 HB2 HIS A 50 15.395 -24.090 -11.629 1.00 64.53 H new ATOM 0 HB3 HIS A 50 14.066 -22.983 -11.913 1.00 64.53 H new ATOM 0 HD2 HIS A 50 13.389 -24.218 -15.010 1.00 50.21 H new ATOM 0 HE1 HIS A 50 12.541 -27.734 -12.794 1.00 44.11 H new ATOM 0 HE2 HIS A 50 12.215 -26.546 -15.021 1.00 53.33 H new ATOM 488 N SER A 51 14.784 -20.686 -13.011 1.00 3.11 N ATOM 489 CA SER A 51 14.107 -19.434 -13.324 1.00 4.21 C ATOM 490 C SER A 51 14.980 -18.552 -14.213 1.00 0.22 C ATOM 491 O SER A 51 14.476 -17.715 -14.963 1.00 44.15 O ATOM 492 CB SER A 51 13.752 -18.686 -12.037 1.00 1.23 C ATOM 493 OG SER A 51 13.498 -17.316 -12.296 1.00 50.21 O ATOM 0 H SER A 51 15.191 -20.723 -12.076 1.00 3.11 H new ATOM 0 HA SER A 51 13.190 -19.670 -13.864 1.00 4.21 H new ATOM 0 HB2 SER A 51 12.874 -19.141 -11.579 1.00 1.23 H new ATOM 0 HB3 SER A 51 14.569 -18.779 -11.322 1.00 1.23 H new ATOM 0 HG SER A 51 13.244 -17.202 -13.236 1.00 50.21 H new ATOM 499 N THR A 52 16.292 -18.746 -14.122 1.00 60.15 N ATOM 500 CA THR A 52 17.236 -17.969 -14.916 1.00 30.43 C ATOM 501 C THR A 52 17.425 -18.581 -16.299 1.00 71.23 C ATOM 502 O THR A 52 17.568 -17.865 -17.290 1.00 44.24 O ATOM 503 CB THR A 52 18.606 -17.868 -14.220 1.00 12.22 C ATOM 504 OG1 THR A 52 18.503 -17.049 -13.050 1.00 54.24 O ATOM 505 CG2 THR A 52 19.650 -17.287 -15.162 1.00 11.12 C ATOM 0 H THR A 52 16.725 -19.434 -13.506 1.00 60.15 H new ATOM 0 HA THR A 52 16.815 -16.969 -15.019 1.00 30.43 H new ATOM 0 HB THR A 52 18.917 -18.872 -13.933 1.00 12.22 H new ATOM 0 HG1 THR A 52 17.778 -16.400 -13.167 1.00 54.24 H new ATOM 0 HG21 THR A 52 20.609 -17.225 -14.648 1.00 11.12 H new ATOM 0 HG22 THR A 52 19.748 -17.929 -16.037 1.00 11.12 H new ATOM 0 HG23 THR A 52 19.342 -16.290 -15.476 1.00 11.12 H new ATOM 513 N ARG A 53 17.423 -19.908 -16.360 1.00 32.13 N ATOM 514 CA ARG A 53 17.594 -20.617 -17.622 1.00 43.43 C ATOM 515 C ARG A 53 16.460 -20.288 -18.588 1.00 43.02 C ATOM 516 O ARG A 53 16.691 -20.042 -19.773 1.00 43.41 O ATOM 517 CB ARG A 53 17.652 -22.126 -17.381 1.00 75.20 C ATOM 518 CG ARG A 53 16.816 -22.931 -18.362 1.00 74.32 C ATOM 519 CD ARG A 53 16.948 -24.425 -18.111 1.00 63.34 C ATOM 520 NE ARG A 53 16.907 -24.747 -16.688 1.00 75.53 N ATOM 521 CZ ARG A 53 17.377 -25.880 -16.176 1.00 52.35 C ATOM 522 NH1 ARG A 53 17.923 -26.792 -16.968 1.00 33.11 N ATOM 523 NH2 ARG A 53 17.302 -26.101 -14.870 1.00 51.33 N ATOM 0 H ARG A 53 17.305 -20.515 -15.549 1.00 32.13 H new ATOM 0 HA ARG A 53 18.534 -20.292 -18.068 1.00 43.43 H new ATOM 0 HB2 ARG A 53 18.689 -22.456 -17.444 1.00 75.20 H new ATOM 0 HB3 ARG A 53 17.311 -22.337 -16.367 1.00 75.20 H new ATOM 0 HG2 ARG A 53 15.770 -22.638 -18.277 1.00 74.32 H new ATOM 0 HG3 ARG A 53 17.129 -22.703 -19.381 1.00 74.32 H new ATOM 0 HD2 ARG A 53 16.144 -24.951 -18.625 1.00 63.34 H new ATOM 0 HD3 ARG A 53 17.886 -24.782 -18.537 1.00 63.34 H new ATOM 0 HE ARG A 53 16.495 -24.065 -16.051 1.00 75.53 H new ATOM 0 HH11 ARG A 53 17.983 -26.625 -17.972 1.00 33.11 H new ATOM 0 HH12 ARG A 53 18.283 -27.661 -16.573 1.00 33.11 H new ATOM 0 HH21 ARG A 53 16.883 -25.401 -14.258 1.00 51.33 H new ATOM 0 HH22 ARG A 53 17.663 -26.971 -14.478 1.00 51.33 H new ATOM 537 N VAL A 54 15.234 -20.286 -18.075 1.00 13.41 N ATOM 538 CA VAL A 54 14.063 -19.986 -18.892 1.00 25.30 C ATOM 539 C VAL A 54 14.242 -18.675 -19.648 1.00 41.41 C ATOM 540 O VAL A 54 13.673 -18.482 -20.722 1.00 14.32 O ATOM 541 CB VAL A 54 12.787 -19.903 -18.035 1.00 21.32 C ATOM 542 CG1 VAL A 54 12.759 -18.604 -17.244 1.00 52.51 C ATOM 543 CG2 VAL A 54 11.549 -20.032 -18.909 1.00 33.44 C ATOM 0 H VAL A 54 15.025 -20.489 -17.097 1.00 13.41 H new ATOM 0 HA VAL A 54 13.958 -20.802 -19.607 1.00 25.30 H new ATOM 0 HB VAL A 54 12.791 -20.732 -17.327 1.00 21.32 H new ATOM 0 HG11 VAL A 54 11.850 -18.563 -16.644 1.00 52.51 H new ATOM 0 HG12 VAL A 54 13.629 -18.558 -16.588 1.00 52.51 H new ATOM 0 HG13 VAL A 54 12.778 -17.759 -17.932 1.00 52.51 H new ATOM 0 HG21 VAL A 54 10.656 -19.971 -18.287 1.00 33.44 H new ATOM 0 HG22 VAL A 54 11.536 -19.226 -19.642 1.00 33.44 H new ATOM 0 HG23 VAL A 54 11.567 -20.992 -19.425 1.00 33.44 H new ATOM 553 N LYS A 55 15.037 -17.773 -19.080 1.00 62.41 N ATOM 554 CA LYS A 55 15.293 -16.479 -19.699 1.00 73.51 C ATOM 555 C LYS A 55 16.365 -16.594 -20.778 1.00 71.53 C ATOM 556 O LYS A 55 16.335 -15.875 -21.776 1.00 13.43 O ATOM 557 CB LYS A 55 15.725 -15.461 -18.642 1.00 24.34 C ATOM 558 CG LYS A 55 17.210 -15.140 -18.678 1.00 72.32 C ATOM 559 CD LYS A 55 17.628 -14.298 -17.485 1.00 2.54 C ATOM 560 CE LYS A 55 19.135 -14.098 -17.444 1.00 34.32 C ATOM 561 NZ LYS A 55 19.650 -13.498 -18.705 1.00 61.13 N ATOM 0 H LYS A 55 15.515 -17.916 -18.190 1.00 62.41 H new ATOM 0 HA LYS A 55 14.368 -16.139 -20.165 1.00 73.51 H new ATOM 0 HB2 LYS A 55 15.159 -14.540 -18.784 1.00 24.34 H new ATOM 0 HB3 LYS A 55 15.468 -15.844 -17.654 1.00 24.34 H new ATOM 0 HG2 LYS A 55 17.783 -16.067 -18.689 1.00 72.32 H new ATOM 0 HG3 LYS A 55 17.446 -14.609 -19.600 1.00 72.32 H new ATOM 0 HD2 LYS A 55 17.132 -13.328 -17.531 1.00 2.54 H new ATOM 0 HD3 LYS A 55 17.299 -14.780 -16.565 1.00 2.54 H new ATOM 0 HE2 LYS A 55 19.393 -13.454 -16.604 1.00 34.32 H new ATOM 0 HE3 LYS A 55 19.624 -15.057 -17.272 1.00 34.32 H new ATOM 0 HZ1 LYS A 55 20.373 -12.785 -18.480 1.00 61.13 H new ATOM 0 HZ2 LYS A 55 20.071 -14.242 -19.297 1.00 61.13 H new ATOM 0 HZ3 LYS A 55 18.867 -13.047 -19.220 1.00 61.13 H new ATOM 575 N GLU A 56 17.311 -17.507 -20.571 1.00 54.45 N ATOM 576 CA GLU A 56 18.391 -17.716 -21.527 1.00 2.52 C ATOM 577 C GLU A 56 17.860 -18.311 -22.827 1.00 63.32 C ATOM 578 O GLU A 56 18.518 -18.249 -23.867 1.00 42.33 O ATOM 579 CB GLU A 56 19.459 -18.636 -20.931 1.00 3.24 C ATOM 580 CG GLU A 56 20.722 -18.726 -21.771 1.00 21.43 C ATOM 581 CD GLU A 56 20.935 -20.109 -22.356 1.00 12.33 C ATOM 582 OE1 GLU A 56 20.668 -21.102 -21.647 1.00 14.10 O ATOM 583 OE2 GLU A 56 21.369 -20.198 -23.523 1.00 45.24 O ATOM 0 H GLU A 56 17.350 -18.112 -19.751 1.00 54.45 H new ATOM 0 HA GLU A 56 18.838 -16.747 -21.748 1.00 2.52 H new ATOM 0 HB2 GLU A 56 19.720 -18.278 -19.935 1.00 3.24 H new ATOM 0 HB3 GLU A 56 19.040 -19.635 -20.811 1.00 3.24 H new ATOM 0 HG2 GLU A 56 20.669 -17.997 -22.580 1.00 21.43 H new ATOM 0 HG3 GLU A 56 21.582 -18.459 -21.157 1.00 21.43 H new ATOM 590 N LEU A 57 16.665 -18.889 -22.762 1.00 45.10 N ATOM 591 CA LEU A 57 16.045 -19.496 -23.933 1.00 73.55 C ATOM 592 C LEU A 57 15.598 -18.430 -24.928 1.00 41.24 C ATOM 593 O LEU A 57 15.769 -18.584 -26.138 1.00 43.00 O ATOM 594 CB LEU A 57 14.848 -20.352 -23.514 1.00 32.13 C ATOM 595 CG LEU A 57 13.827 -20.662 -24.610 1.00 64.13 C ATOM 596 CD1 LEU A 57 14.526 -21.172 -25.861 1.00 51.33 C ATOM 597 CD2 LEU A 57 12.806 -21.677 -24.116 1.00 51.34 C ATOM 0 H LEU A 57 16.107 -18.950 -21.910 1.00 45.10 H new ATOM 0 HA LEU A 57 16.787 -20.131 -24.418 1.00 73.55 H new ATOM 0 HB2 LEU A 57 15.223 -21.296 -23.117 1.00 32.13 H new ATOM 0 HB3 LEU A 57 14.333 -19.845 -22.698 1.00 32.13 H new ATOM 0 HG LEU A 57 13.301 -19.741 -24.862 1.00 64.13 H new ATOM 0 HD11 LEU A 57 13.784 -21.387 -26.630 1.00 51.33 H new ATOM 0 HD12 LEU A 57 15.218 -20.413 -26.226 1.00 51.33 H new ATOM 0 HD13 LEU A 57 15.078 -22.082 -25.624 1.00 51.33 H new ATOM 0 HD21 LEU A 57 12.087 -21.886 -24.909 1.00 51.34 H new ATOM 0 HD22 LEU A 57 13.316 -22.599 -23.836 1.00 51.34 H new ATOM 0 HD23 LEU A 57 12.283 -21.274 -23.249 1.00 51.34 H new ATOM 609 N PHE A 58 15.027 -17.348 -24.411 1.00 43.30 N ATOM 610 CA PHE A 58 14.557 -16.254 -25.254 1.00 21.52 C ATOM 611 C PHE A 58 15.672 -15.755 -26.168 1.00 41.33 C ATOM 612 O PHE A 58 15.479 -15.601 -27.374 1.00 14.30 O ATOM 613 CB PHE A 58 14.037 -15.104 -24.389 1.00 53.23 C ATOM 614 CG PHE A 58 12.728 -15.404 -23.717 1.00 24.43 C ATOM 615 CD1 PHE A 58 12.696 -16.060 -22.496 1.00 0.54 C ATOM 616 CD2 PHE A 58 11.530 -15.031 -24.304 1.00 31.51 C ATOM 617 CE1 PHE A 58 11.494 -16.337 -21.873 1.00 11.32 C ATOM 618 CE2 PHE A 58 10.325 -15.306 -23.686 1.00 11.53 C ATOM 619 CZ PHE A 58 10.306 -15.961 -22.470 1.00 3.02 C ATOM 0 H PHE A 58 14.878 -17.205 -23.412 1.00 43.30 H new ATOM 0 HA PHE A 58 13.743 -16.629 -25.875 1.00 21.52 H new ATOM 0 HB2 PHE A 58 14.781 -14.867 -23.628 1.00 53.23 H new ATOM 0 HB3 PHE A 58 13.922 -14.216 -25.010 1.00 53.23 H new ATOM 0 HD1 PHE A 58 13.622 -16.358 -22.026 1.00 0.54 H new ATOM 0 HD2 PHE A 58 11.538 -14.520 -25.255 1.00 31.51 H new ATOM 0 HE1 PHE A 58 11.483 -16.847 -20.921 1.00 11.32 H new ATOM 0 HE2 PHE A 58 9.398 -15.009 -24.154 1.00 11.53 H new ATOM 0 HZ PHE A 58 9.365 -16.179 -21.987 1.00 3.02 H new ATOM 629 N SER A 59 16.839 -15.503 -25.585 1.00 21.01 N ATOM 630 CA SER A 59 17.984 -15.017 -26.345 1.00 45.33 C ATOM 631 C SER A 59 18.281 -15.934 -27.527 1.00 45.43 C ATOM 632 O SER A 59 18.455 -15.475 -28.656 1.00 13.34 O ATOM 633 CB SER A 59 19.216 -14.914 -25.443 1.00 21.04 C ATOM 634 OG SER A 59 20.023 -13.806 -25.806 1.00 25.55 O ATOM 0 H SER A 59 17.017 -15.627 -24.588 1.00 21.01 H new ATOM 0 HA SER A 59 17.739 -14.026 -26.728 1.00 45.33 H new ATOM 0 HB2 SER A 59 18.902 -14.815 -24.404 1.00 21.04 H new ATOM 0 HB3 SER A 59 19.800 -15.832 -25.513 1.00 21.04 H new ATOM 0 HG SER A 59 20.803 -13.761 -25.214 1.00 25.55 H new ATOM 640 N SER A 60 18.338 -17.235 -27.259 1.00 35.15 N ATOM 641 CA SER A 60 18.617 -18.218 -28.299 1.00 21.21 C ATOM 642 C SER A 60 17.456 -18.311 -29.285 1.00 24.25 C ATOM 643 O SER A 60 17.566 -18.949 -30.333 1.00 14.52 O ATOM 644 CB SER A 60 18.881 -19.589 -27.675 1.00 64.31 C ATOM 645 OG SER A 60 18.745 -20.622 -28.636 1.00 44.40 O ATOM 0 H SER A 60 18.195 -17.632 -26.331 1.00 35.15 H new ATOM 0 HA SER A 60 19.506 -17.895 -28.841 1.00 21.21 H new ATOM 0 HB2 SER A 60 19.885 -19.612 -27.252 1.00 64.31 H new ATOM 0 HB3 SER A 60 18.185 -19.758 -26.854 1.00 64.31 H new ATOM 0 HG SER A 60 18.516 -20.232 -29.505 1.00 44.40 H new ATOM 651 N LEU A 61 16.345 -17.670 -28.941 1.00 74.21 N ATOM 652 CA LEU A 61 15.162 -17.679 -29.795 1.00 53.11 C ATOM 653 C LEU A 61 15.199 -16.522 -30.790 1.00 35.54 C ATOM 654 O LEU A 61 14.204 -16.226 -31.450 1.00 31.43 O ATOM 655 CB LEU A 61 13.894 -17.595 -28.945 1.00 34.14 C ATOM 656 CG LEU A 61 12.745 -18.517 -29.358 1.00 4.30 C ATOM 657 CD1 LEU A 61 12.565 -18.500 -30.868 1.00 40.41 C ATOM 658 CD2 LEU A 61 12.995 -19.934 -28.864 1.00 70.40 C ATOM 0 H LEU A 61 16.238 -17.138 -28.077 1.00 74.21 H new ATOM 0 HA LEU A 61 15.156 -18.615 -30.354 1.00 53.11 H new ATOM 0 HB2 LEU A 61 14.158 -17.818 -27.911 1.00 34.14 H new ATOM 0 HB3 LEU A 61 13.534 -16.567 -28.967 1.00 34.14 H new ATOM 0 HG LEU A 61 11.827 -18.151 -28.899 1.00 4.30 H new ATOM 0 HD11 LEU A 61 11.744 -19.161 -31.144 1.00 40.41 H new ATOM 0 HD12 LEU A 61 12.340 -17.485 -31.196 1.00 40.41 H new ATOM 0 HD13 LEU A 61 13.482 -18.841 -31.348 1.00 40.41 H new ATOM 0 HD21 LEU A 61 12.168 -20.576 -29.167 1.00 70.40 H new ATOM 0 HD22 LEU A 61 13.923 -20.311 -29.294 1.00 70.40 H new ATOM 0 HD23 LEU A 61 13.074 -19.932 -27.777 1.00 70.40 H new ATOM 670 N GLY A 62 16.355 -15.873 -30.891 1.00 32.11 N ATOM 671 CA GLY A 62 16.500 -14.758 -31.807 1.00 44.33 C ATOM 672 C GLY A 62 15.647 -13.568 -31.414 1.00 22.20 C ATOM 673 O GLY A 62 15.504 -12.616 -32.182 1.00 31.44 O ATOM 0 H GLY A 62 17.193 -16.100 -30.355 1.00 32.11 H new ATOM 0 HA2 GLY A 62 17.546 -14.455 -31.842 1.00 44.33 H new ATOM 0 HA3 GLY A 62 16.227 -15.080 -32.812 1.00 44.33 H new ATOM 677 N VAL A 63 15.076 -13.622 -30.215 1.00 53.12 N ATOM 678 CA VAL A 63 14.230 -12.541 -29.722 1.00 21.41 C ATOM 679 C VAL A 63 14.916 -11.779 -28.593 1.00 22.32 C ATOM 680 O VAL A 63 15.926 -12.228 -28.051 1.00 25.23 O ATOM 681 CB VAL A 63 12.875 -13.073 -29.218 1.00 64.53 C ATOM 682 CG1 VAL A 63 12.977 -13.499 -27.762 1.00 21.03 C ATOM 683 CG2 VAL A 63 11.790 -12.024 -29.401 1.00 12.42 C ATOM 0 H VAL A 63 15.184 -14.402 -29.567 1.00 53.12 H new ATOM 0 HA VAL A 63 14.057 -11.866 -30.561 1.00 21.41 H new ATOM 0 HB VAL A 63 12.605 -13.948 -29.809 1.00 64.53 H new ATOM 0 HG11 VAL A 63 12.010 -13.872 -27.423 1.00 21.03 H new ATOM 0 HG12 VAL A 63 13.724 -14.287 -27.665 1.00 21.03 H new ATOM 0 HG13 VAL A 63 13.270 -12.644 -27.152 1.00 21.03 H new ATOM 0 HG21 VAL A 63 10.840 -12.417 -29.040 1.00 12.42 H new ATOM 0 HG22 VAL A 63 12.051 -11.129 -28.837 1.00 12.42 H new ATOM 0 HG23 VAL A 63 11.701 -11.773 -30.458 1.00 12.42 H new ATOM 693 N VAL A 64 14.359 -10.624 -28.243 1.00 64.02 N ATOM 694 CA VAL A 64 14.917 -9.799 -27.177 1.00 74.43 C ATOM 695 C VAL A 64 13.993 -9.773 -25.964 1.00 43.44 C ATOM 696 O VAL A 64 12.771 -9.841 -26.099 1.00 44.53 O ATOM 697 CB VAL A 64 15.161 -8.356 -27.654 1.00 41.34 C ATOM 698 CG1 VAL A 64 15.871 -7.550 -26.576 1.00 54.12 C ATOM 699 CG2 VAL A 64 15.962 -8.351 -28.948 1.00 75.23 C ATOM 0 H VAL A 64 13.523 -10.238 -28.681 1.00 64.02 H new ATOM 0 HA VAL A 64 15.870 -10.246 -26.895 1.00 74.43 H new ATOM 0 HB VAL A 64 14.196 -7.888 -27.848 1.00 41.34 H new ATOM 0 HG11 VAL A 64 16.035 -6.533 -26.931 1.00 54.12 H new ATOM 0 HG12 VAL A 64 15.257 -7.526 -25.676 1.00 54.12 H new ATOM 0 HG13 VAL A 64 16.831 -8.014 -26.348 1.00 54.12 H new ATOM 0 HG21 VAL A 64 16.125 -7.323 -29.271 1.00 75.23 H new ATOM 0 HG22 VAL A 64 16.924 -8.836 -28.782 1.00 75.23 H new ATOM 0 HG23 VAL A 64 15.411 -8.890 -29.719 1.00 75.23 H new ATOM 709 N TYR A 65 14.585 -9.673 -24.779 1.00 43.54 N ATOM 710 CA TYR A 65 13.816 -9.638 -23.541 1.00 41.50 C ATOM 711 C TYR A 65 14.534 -8.815 -22.476 1.00 25.24 C ATOM 712 O TYR A 65 15.680 -8.406 -22.661 1.00 22.45 O ATOM 713 CB TYR A 65 13.573 -11.058 -23.028 1.00 31.34 C ATOM 714 CG TYR A 65 14.839 -11.783 -22.630 1.00 22.22 C ATOM 715 CD1 TYR A 65 15.608 -12.449 -23.577 1.00 22.10 C ATOM 716 CD2 TYR A 65 15.266 -11.802 -21.309 1.00 21.45 C ATOM 717 CE1 TYR A 65 16.766 -13.113 -23.218 1.00 35.54 C ATOM 718 CE2 TYR A 65 16.423 -12.463 -20.940 1.00 52.24 C ATOM 719 CZ TYR A 65 17.169 -13.117 -21.899 1.00 51.53 C ATOM 720 OH TYR A 65 18.321 -13.777 -21.537 1.00 50.24 O ATOM 0 H TYR A 65 15.595 -9.615 -24.650 1.00 43.54 H new ATOM 0 HA TYR A 65 12.856 -9.166 -23.752 1.00 41.50 H new ATOM 0 HB2 TYR A 65 12.903 -11.015 -22.169 1.00 31.34 H new ATOM 0 HB3 TYR A 65 13.063 -11.632 -23.801 1.00 31.34 H new ATOM 0 HD1 TYR A 65 15.296 -12.448 -24.611 1.00 22.10 H new ATOM 0 HD2 TYR A 65 14.684 -11.291 -20.556 1.00 21.45 H new ATOM 0 HE1 TYR A 65 17.352 -13.626 -23.966 1.00 35.54 H new ATOM 0 HE2 TYR A 65 16.741 -12.467 -19.908 1.00 52.24 H new ATOM 0 HH TYR A 65 18.151 -14.742 -21.513 1.00 50.24 H new ATOM 730 N ASN A 66 13.852 -8.579 -21.361 1.00 22.14 N ATOM 731 CA ASN A 66 14.424 -7.806 -20.264 1.00 52.31 C ATOM 732 C ASN A 66 14.834 -8.717 -19.111 1.00 14.40 C ATOM 733 O ASN A 66 14.145 -9.690 -18.802 1.00 2.44 O ATOM 734 CB ASN A 66 13.421 -6.761 -19.772 1.00 31.02 C ATOM 735 CG ASN A 66 14.031 -5.377 -19.668 1.00 4.22 C ATOM 736 OD1 ASN A 66 14.815 -5.098 -18.760 1.00 51.52 O ATOM 737 ND2 ASN A 66 13.675 -4.501 -20.601 1.00 30.43 N ATOM 0 H ASN A 66 12.903 -8.912 -21.193 1.00 22.14 H new ATOM 0 HA ASN A 66 15.314 -7.299 -20.636 1.00 52.31 H new ATOM 0 HB2 ASN A 66 12.570 -6.730 -20.453 1.00 31.02 H new ATOM 0 HB3 ASN A 66 13.038 -7.060 -18.796 1.00 31.02 H new ATOM 0 HD21 ASN A 66 14.054 -3.554 -20.583 1.00 30.43 H new ATOM 0 HD22 ASN A 66 13.022 -4.775 -21.335 1.00 30.43 H new ATOM 744 N ILE A 67 15.957 -8.395 -18.480 1.00 41.51 N ATOM 745 CA ILE A 67 16.457 -9.184 -17.361 1.00 4.41 C ATOM 746 C ILE A 67 16.235 -8.460 -16.036 1.00 22.20 C ATOM 747 O ILE A 67 16.782 -7.382 -15.805 1.00 42.53 O ATOM 748 CB ILE A 67 17.957 -9.495 -17.516 1.00 45.14 C ATOM 749 CG1 ILE A 67 18.229 -10.130 -18.882 1.00 1.23 C ATOM 750 CG2 ILE A 67 18.428 -10.411 -16.397 1.00 32.15 C ATOM 751 CD1 ILE A 67 18.754 -9.151 -19.909 1.00 73.22 C ATOM 0 H ILE A 67 16.538 -7.593 -18.724 1.00 41.51 H new ATOM 0 HA ILE A 67 15.898 -10.120 -17.361 1.00 4.41 H new ATOM 0 HB ILE A 67 18.515 -8.561 -17.452 1.00 45.14 H new ATOM 0 HG12 ILE A 67 18.950 -10.939 -18.761 1.00 1.23 H new ATOM 0 HG13 ILE A 67 17.308 -10.577 -19.256 1.00 1.23 H new ATOM 0 HG21 ILE A 67 19.490 -10.621 -16.522 1.00 32.15 H new ATOM 0 HG22 ILE A 67 18.265 -9.924 -15.435 1.00 32.15 H new ATOM 0 HG23 ILE A 67 17.867 -11.345 -16.431 1.00 32.15 H new ATOM 0 HD11 ILE A 67 18.924 -9.670 -20.852 1.00 73.22 H new ATOM 0 HD12 ILE A 67 18.025 -8.355 -20.059 1.00 73.22 H new ATOM 0 HD13 ILE A 67 19.692 -8.722 -19.556 1.00 73.22 H new ATOM 763 N LEU A 68 15.430 -9.063 -15.168 1.00 53.01 N ATOM 764 CA LEU A 68 15.136 -8.477 -13.864 1.00 72.41 C ATOM 765 C LEU A 68 15.364 -9.492 -12.749 1.00 2.04 C ATOM 766 O LEU A 68 14.842 -10.605 -12.792 1.00 13.20 O ATOM 767 CB LEU A 68 13.691 -7.975 -13.823 1.00 42.14 C ATOM 768 CG LEU A 68 13.140 -7.409 -15.133 1.00 5.23 C ATOM 769 CD1 LEU A 68 12.176 -8.394 -15.775 1.00 14.44 C ATOM 770 CD2 LEU A 68 12.457 -6.071 -14.891 1.00 32.55 C ATOM 0 H LEU A 68 14.970 -9.956 -15.343 1.00 53.01 H new ATOM 0 HA LEU A 68 15.812 -7.636 -13.710 1.00 72.41 H new ATOM 0 HB2 LEU A 68 13.050 -8.799 -13.508 1.00 42.14 H new ATOM 0 HB3 LEU A 68 13.617 -7.203 -13.057 1.00 42.14 H new ATOM 0 HG LEU A 68 13.973 -7.249 -15.817 1.00 5.23 H new ATOM 0 HD11 LEU A 68 11.794 -7.975 -16.706 1.00 14.44 H new ATOM 0 HD12 LEU A 68 12.697 -9.328 -15.985 1.00 14.44 H new ATOM 0 HD13 LEU A 68 11.346 -8.586 -15.096 1.00 14.44 H new ATOM 0 HD21 LEU A 68 12.071 -5.684 -15.834 1.00 32.55 H new ATOM 0 HD22 LEU A 68 11.633 -6.204 -14.190 1.00 32.55 H new ATOM 0 HD23 LEU A 68 13.176 -5.365 -14.476 1.00 32.55 H new ATOM 782 N GLU A 69 16.148 -9.098 -11.749 1.00 74.22 N ATOM 783 CA GLU A 69 16.444 -9.973 -10.621 1.00 43.31 C ATOM 784 C GLU A 69 15.850 -9.416 -9.330 1.00 23.00 C ATOM 785 O GLU A 69 16.212 -8.325 -8.888 1.00 14.02 O ATOM 786 CB GLU A 69 17.956 -10.148 -10.466 1.00 62.33 C ATOM 787 CG GLU A 69 18.674 -10.423 -11.777 1.00 44.31 C ATOM 788 CD GLU A 69 18.236 -11.723 -12.421 1.00 24.42 C ATOM 789 OE1 GLU A 69 17.174 -11.734 -13.075 1.00 52.04 O ATOM 790 OE2 GLU A 69 18.958 -12.731 -12.270 1.00 23.33 O ATOM 0 H GLU A 69 16.589 -8.180 -11.698 1.00 74.22 H new ATOM 0 HA GLU A 69 15.992 -10.945 -10.819 1.00 43.31 H new ATOM 0 HB2 GLU A 69 18.373 -9.248 -10.015 1.00 62.33 H new ATOM 0 HB3 GLU A 69 18.149 -10.969 -9.776 1.00 62.33 H new ATOM 0 HG2 GLU A 69 18.490 -9.600 -12.467 1.00 44.31 H new ATOM 0 HG3 GLU A 69 19.749 -10.455 -11.598 1.00 44.31 H new ATOM 797 N LEU A 70 14.938 -10.173 -8.730 1.00 52.23 N ATOM 798 CA LEU A 70 14.293 -9.756 -7.490 1.00 61.42 C ATOM 799 C LEU A 70 15.282 -9.775 -6.329 1.00 62.23 C ATOM 800 O LEU A 70 15.005 -9.241 -5.255 1.00 31.31 O ATOM 801 CB LEU A 70 13.106 -10.668 -7.179 1.00 34.44 C ATOM 802 CG LEU A 70 12.003 -10.721 -8.237 1.00 3.41 C ATOM 803 CD1 LEU A 70 11.824 -9.359 -8.888 1.00 15.33 C ATOM 804 CD2 LEU A 70 12.321 -11.777 -9.286 1.00 30.43 C ATOM 0 H LEU A 70 14.629 -11.079 -9.082 1.00 52.23 H new ATOM 0 HA LEU A 70 13.934 -8.735 -7.621 1.00 61.42 H new ATOM 0 HB2 LEU A 70 13.482 -11.679 -7.024 1.00 34.44 H new ATOM 0 HB3 LEU A 70 12.663 -10.345 -6.237 1.00 34.44 H new ATOM 0 HG LEU A 70 11.068 -10.994 -7.747 1.00 3.41 H new ATOM 0 HD11 LEU A 70 11.035 -9.415 -9.638 1.00 15.33 H new ATOM 0 HD12 LEU A 70 11.551 -8.626 -8.129 1.00 15.33 H new ATOM 0 HD13 LEU A 70 12.757 -9.058 -9.364 1.00 15.33 H new ATOM 0 HD21 LEU A 70 11.526 -11.801 -10.031 1.00 30.43 H new ATOM 0 HD22 LEU A 70 13.266 -11.534 -9.772 1.00 30.43 H new ATOM 0 HD23 LEU A 70 12.399 -12.753 -8.807 1.00 30.43 H new ATOM 816 N ASP A 71 16.438 -10.391 -6.554 1.00 21.45 N ATOM 817 CA ASP A 71 17.470 -10.477 -5.527 1.00 34.51 C ATOM 818 C ASP A 71 18.325 -9.213 -5.508 1.00 70.55 C ATOM 819 O ASP A 71 19.062 -8.966 -4.555 1.00 72.33 O ATOM 820 CB ASP A 71 18.354 -11.702 -5.764 1.00 22.41 C ATOM 821 CG ASP A 71 18.770 -12.376 -4.470 1.00 62.13 C ATOM 822 OD1 ASP A 71 18.685 -11.724 -3.408 1.00 11.20 O ATOM 823 OD2 ASP A 71 19.180 -13.554 -4.520 1.00 33.13 O ATOM 0 H ASP A 71 16.684 -10.838 -7.438 1.00 21.45 H new ATOM 0 HA ASP A 71 16.978 -10.575 -4.559 1.00 34.51 H new ATOM 0 HB2 ASP A 71 17.818 -12.418 -6.387 1.00 22.41 H new ATOM 0 HB3 ASP A 71 19.244 -11.402 -6.317 1.00 22.41 H new ATOM 828 N GLN A 72 18.220 -8.420 -6.570 1.00 11.35 N ATOM 829 CA GLN A 72 18.985 -7.183 -6.675 1.00 52.10 C ATOM 830 C GLN A 72 18.064 -5.968 -6.626 1.00 42.11 C ATOM 831 O GLN A 72 18.525 -4.826 -6.642 1.00 14.34 O ATOM 832 CB GLN A 72 19.797 -7.170 -7.971 1.00 64.44 C ATOM 833 CG GLN A 72 20.933 -8.181 -7.987 1.00 42.21 C ATOM 834 CD GLN A 72 21.853 -8.044 -6.789 1.00 51.24 C ATOM 835 OE1 GLN A 72 22.358 -6.959 -6.501 1.00 42.03 O ATOM 836 NE2 GLN A 72 22.074 -9.147 -6.084 1.00 61.02 N ATOM 0 H GLN A 72 17.614 -8.612 -7.368 1.00 11.35 H new ATOM 0 HA GLN A 72 19.667 -7.134 -5.826 1.00 52.10 H new ATOM 0 HB2 GLN A 72 19.131 -7.371 -8.810 1.00 64.44 H new ATOM 0 HB3 GLN A 72 20.208 -6.172 -8.123 1.00 64.44 H new ATOM 0 HG2 GLN A 72 20.517 -9.188 -8.008 1.00 42.21 H new ATOM 0 HG3 GLN A 72 21.513 -8.056 -8.902 1.00 42.21 H new ATOM 0 HE21 GLN A 72 21.634 -10.025 -6.359 1.00 61.02 H new ATOM 0 HE22 GLN A 72 22.684 -9.116 -5.267 1.00 61.02 H new ATOM 845 N VAL A 73 16.760 -6.221 -6.568 1.00 3.21 N ATOM 846 CA VAL A 73 15.775 -5.148 -6.517 1.00 5.35 C ATOM 847 C VAL A 73 15.567 -4.661 -5.087 1.00 24.10 C ATOM 848 O VAL A 73 15.546 -5.456 -4.147 1.00 15.24 O ATOM 849 CB VAL A 73 14.422 -5.600 -7.095 1.00 0.14 C ATOM 850 CG1 VAL A 73 13.372 -4.516 -6.909 1.00 54.31 C ATOM 851 CG2 VAL A 73 14.567 -5.967 -8.564 1.00 42.11 C ATOM 0 H VAL A 73 16.362 -7.160 -6.555 1.00 3.21 H new ATOM 0 HA VAL A 73 16.166 -4.331 -7.123 1.00 5.35 H new ATOM 0 HB VAL A 73 14.093 -6.487 -6.553 1.00 0.14 H new ATOM 0 HG11 VAL A 73 12.422 -4.854 -7.324 1.00 54.31 H new ATOM 0 HG12 VAL A 73 13.250 -4.307 -5.846 1.00 54.31 H new ATOM 0 HG13 VAL A 73 13.690 -3.609 -7.423 1.00 54.31 H new ATOM 0 HG21 VAL A 73 13.601 -6.284 -8.957 1.00 42.11 H new ATOM 0 HG22 VAL A 73 14.919 -5.100 -9.123 1.00 42.11 H new ATOM 0 HG23 VAL A 73 15.285 -6.780 -8.667 1.00 42.11 H new ATOM 861 N ASP A 74 15.414 -3.351 -4.930 1.00 33.21 N ATOM 862 CA ASP A 74 15.206 -2.758 -3.614 1.00 34.01 C ATOM 863 C ASP A 74 14.048 -3.436 -2.889 1.00 20.42 C ATOM 864 O ASP A 74 14.130 -3.716 -1.692 1.00 63.04 O ATOM 865 CB ASP A 74 14.932 -1.258 -3.745 1.00 74.21 C ATOM 866 CG ASP A 74 16.155 -0.484 -4.194 1.00 52.35 C ATOM 867 OD1 ASP A 74 17.095 -0.335 -3.386 1.00 33.12 O ATOM 868 OD2 ASP A 74 16.173 -0.028 -5.357 1.00 63.24 O ATOM 0 H ASP A 74 15.430 -2.679 -5.697 1.00 33.21 H new ATOM 0 HA ASP A 74 16.114 -2.905 -3.029 1.00 34.01 H new ATOM 0 HB2 ASP A 74 14.123 -1.100 -4.459 1.00 74.21 H new ATOM 0 HB3 ASP A 74 14.591 -0.869 -2.786 1.00 74.21 H new ATOM 873 N ASP A 75 12.970 -3.698 -3.620 1.00 32.11 N ATOM 874 CA ASP A 75 11.795 -4.344 -3.047 1.00 20.32 C ATOM 875 C ASP A 75 11.842 -5.853 -3.269 1.00 3.25 C ATOM 876 O ASP A 75 10.807 -6.509 -3.371 1.00 52.30 O ATOM 877 CB ASP A 75 10.518 -3.766 -3.659 1.00 23.54 C ATOM 878 CG ASP A 75 10.636 -2.282 -3.948 1.00 20.20 C ATOM 879 OD1 ASP A 75 10.869 -1.509 -2.996 1.00 3.52 O ATOM 880 OD2 ASP A 75 10.495 -1.896 -5.126 1.00 45.14 O ATOM 0 H ASP A 75 12.886 -3.473 -4.611 1.00 32.11 H new ATOM 0 HA ASP A 75 11.793 -4.152 -1.974 1.00 20.32 H new ATOM 0 HB2 ASP A 75 10.289 -4.296 -4.583 1.00 23.54 H new ATOM 0 HB3 ASP A 75 9.683 -3.936 -2.979 1.00 23.54 H new ATOM 885 N GLY A 76 13.053 -6.398 -3.344 1.00 14.32 N ATOM 886 CA GLY A 76 13.212 -7.825 -3.554 1.00 45.45 C ATOM 887 C GLY A 76 12.374 -8.650 -2.599 1.00 1.30 C ATOM 888 O GLY A 76 12.057 -9.805 -2.878 1.00 62.45 O ATOM 0 H GLY A 76 13.926 -5.877 -3.263 1.00 14.32 H new ATOM 0 HA2 GLY A 76 12.936 -8.071 -4.579 1.00 45.45 H new ATOM 0 HA3 GLY A 76 14.262 -8.092 -3.434 1.00 45.45 H new ATOM 892 N ALA A 77 12.014 -8.055 -1.466 1.00 35.31 N ATOM 893 CA ALA A 77 11.207 -8.743 -0.466 1.00 12.25 C ATOM 894 C ALA A 77 9.754 -8.859 -0.917 1.00 43.30 C ATOM 895 O ALA A 77 9.206 -9.958 -1.000 1.00 44.31 O ATOM 896 CB ALA A 77 11.289 -8.017 0.869 1.00 2.32 C ATOM 0 H ALA A 77 12.268 -7.099 -1.218 1.00 35.31 H new ATOM 0 HA ALA A 77 11.605 -9.751 -0.345 1.00 12.25 H new ATOM 0 HB1 ALA A 77 10.682 -8.542 1.606 1.00 2.32 H new ATOM 0 HB2 ALA A 77 12.325 -7.990 1.205 1.00 2.32 H new ATOM 0 HB3 ALA A 77 10.919 -6.998 0.753 1.00 2.32 H new ATOM 902 N SER A 78 9.137 -7.718 -1.207 1.00 54.12 N ATOM 903 CA SER A 78 7.747 -7.692 -1.645 1.00 54.55 C ATOM 904 C SER A 78 7.633 -8.085 -3.116 1.00 5.13 C ATOM 905 O SER A 78 6.834 -8.947 -3.480 1.00 34.11 O ATOM 906 CB SER A 78 7.148 -6.301 -1.431 1.00 12.20 C ATOM 907 OG SER A 78 7.091 -5.977 -0.052 1.00 11.41 O ATOM 0 H SER A 78 9.578 -6.800 -1.146 1.00 54.12 H new ATOM 0 HA SER A 78 7.191 -8.415 -1.048 1.00 54.55 H new ATOM 0 HB2 SER A 78 7.747 -5.558 -1.958 1.00 12.20 H new ATOM 0 HB3 SER A 78 6.146 -6.263 -1.858 1.00 12.20 H new ATOM 0 HG SER A 78 6.706 -5.083 0.058 1.00 11.41 H new ATOM 913 N VAL A 79 8.441 -7.446 -3.957 1.00 13.24 N ATOM 914 CA VAL A 79 8.433 -7.728 -5.387 1.00 22.32 C ATOM 915 C VAL A 79 8.468 -9.230 -5.650 1.00 50.53 C ATOM 916 O VAL A 79 7.803 -9.726 -6.560 1.00 11.55 O ATOM 917 CB VAL A 79 9.629 -7.065 -6.096 1.00 12.21 C ATOM 918 CG1 VAL A 79 10.885 -7.903 -5.921 1.00 3.03 C ATOM 919 CG2 VAL A 79 9.321 -6.852 -7.571 1.00 0.14 C ATOM 0 H VAL A 79 9.109 -6.730 -3.672 1.00 13.24 H new ATOM 0 HA VAL A 79 7.508 -7.313 -5.787 1.00 22.32 H new ATOM 0 HB VAL A 79 9.806 -6.091 -5.640 1.00 12.21 H new ATOM 0 HG11 VAL A 79 11.719 -7.419 -6.429 1.00 3.03 H new ATOM 0 HG12 VAL A 79 11.113 -8.000 -4.859 1.00 3.03 H new ATOM 0 HG13 VAL A 79 10.725 -8.892 -6.349 1.00 3.03 H new ATOM 0 HG21 VAL A 79 10.176 -6.383 -8.057 1.00 0.14 H new ATOM 0 HG22 VAL A 79 9.118 -7.813 -8.043 1.00 0.14 H new ATOM 0 HG23 VAL A 79 8.448 -6.207 -7.671 1.00 0.14 H new ATOM 929 N GLN A 80 9.249 -9.947 -4.849 1.00 65.45 N ATOM 930 CA GLN A 80 9.372 -11.393 -4.997 1.00 12.41 C ATOM 931 C GLN A 80 8.297 -12.115 -4.191 1.00 44.32 C ATOM 932 O GLN A 80 7.944 -13.254 -4.491 1.00 73.44 O ATOM 933 CB GLN A 80 10.759 -11.857 -4.552 1.00 12.42 C ATOM 934 CG GLN A 80 11.210 -13.149 -5.212 1.00 24.21 C ATOM 935 CD GLN A 80 11.469 -14.257 -4.211 1.00 31.35 C ATOM 936 OE1 GLN A 80 12.484 -14.951 -4.284 1.00 21.21 O ATOM 937 NE2 GLN A 80 10.551 -14.430 -3.267 1.00 53.10 N ATOM 0 H GLN A 80 9.806 -9.551 -4.092 1.00 65.45 H new ATOM 0 HA GLN A 80 9.237 -11.638 -6.050 1.00 12.41 H new ATOM 0 HB2 GLN A 80 11.483 -11.073 -4.774 1.00 12.42 H new ATOM 0 HB3 GLN A 80 10.758 -11.993 -3.470 1.00 12.42 H new ATOM 0 HG2 GLN A 80 10.449 -13.475 -5.920 1.00 24.21 H new ATOM 0 HG3 GLN A 80 12.119 -12.962 -5.784 1.00 24.21 H new ATOM 0 HE21 GLN A 80 9.725 -13.832 -3.243 1.00 53.10 H new ATOM 0 HE22 GLN A 80 10.672 -15.161 -2.566 1.00 53.10 H new ATOM 946 N GLU A 81 7.782 -11.444 -3.165 1.00 2.30 N ATOM 947 CA GLU A 81 6.749 -12.023 -2.315 1.00 71.13 C ATOM 948 C GLU A 81 5.490 -12.330 -3.121 1.00 23.11 C ATOM 949 O GLU A 81 4.882 -13.389 -2.965 1.00 3.00 O ATOM 950 CB GLU A 81 6.413 -11.073 -1.163 1.00 52.04 C ATOM 951 CG GLU A 81 5.180 -11.485 -0.376 1.00 41.32 C ATOM 952 CD GLU A 81 5.361 -11.316 1.120 1.00 34.24 C ATOM 953 OE1 GLU A 81 6.060 -10.365 1.529 1.00 21.42 O ATOM 954 OE2 GLU A 81 4.803 -12.134 1.882 1.00 44.24 O ATOM 0 H GLU A 81 8.064 -10.499 -2.903 1.00 2.30 H new ATOM 0 HA GLU A 81 7.133 -12.957 -1.905 1.00 71.13 H new ATOM 0 HB2 GLU A 81 7.265 -11.020 -0.486 1.00 52.04 H new ATOM 0 HB3 GLU A 81 6.261 -10.070 -1.562 1.00 52.04 H new ATOM 0 HG2 GLU A 81 4.328 -10.890 -0.705 1.00 41.32 H new ATOM 0 HG3 GLU A 81 4.945 -12.527 -0.595 1.00 41.32 H new ATOM 961 N VAL A 82 5.105 -11.394 -3.983 1.00 72.34 N ATOM 962 CA VAL A 82 3.918 -11.564 -4.814 1.00 25.00 C ATOM 963 C VAL A 82 4.252 -12.305 -6.104 1.00 61.11 C ATOM 964 O VAL A 82 3.375 -12.886 -6.744 1.00 13.31 O ATOM 965 CB VAL A 82 3.282 -10.207 -5.166 1.00 15.42 C ATOM 966 CG1 VAL A 82 1.769 -10.334 -5.257 1.00 14.31 C ATOM 967 CG2 VAL A 82 3.675 -9.153 -4.142 1.00 12.32 C ATOM 0 H VAL A 82 5.597 -10.512 -4.124 1.00 72.34 H new ATOM 0 HA VAL A 82 3.207 -12.152 -4.234 1.00 25.00 H new ATOM 0 HB VAL A 82 3.656 -9.892 -6.140 1.00 15.42 H new ATOM 0 HG11 VAL A 82 1.337 -9.365 -5.507 1.00 14.31 H new ATOM 0 HG12 VAL A 82 1.510 -11.057 -6.031 1.00 14.31 H new ATOM 0 HG13 VAL A 82 1.374 -10.671 -4.299 1.00 14.31 H new ATOM 0 HG21 VAL A 82 3.217 -8.200 -4.406 1.00 12.32 H new ATOM 0 HG22 VAL A 82 3.331 -9.459 -3.154 1.00 12.32 H new ATOM 0 HG23 VAL A 82 4.759 -9.043 -4.131 1.00 12.32 H new ATOM 977 N LEU A 83 5.526 -12.283 -6.480 1.00 3.11 N ATOM 978 CA LEU A 83 5.977 -12.953 -7.694 1.00 25.42 C ATOM 979 C LEU A 83 6.095 -14.458 -7.473 1.00 30.25 C ATOM 980 O LEU A 83 5.608 -15.255 -8.276 1.00 50.23 O ATOM 981 CB LEU A 83 7.326 -12.386 -8.143 1.00 2.14 C ATOM 982 CG LEU A 83 7.349 -11.718 -9.518 1.00 13.44 C ATOM 983 CD1 LEU A 83 7.977 -10.335 -9.429 1.00 75.44 C ATOM 984 CD2 LEU A 83 8.100 -12.584 -10.518 1.00 72.24 C ATOM 0 H LEU A 83 6.265 -11.808 -5.961 1.00 3.11 H new ATOM 0 HA LEU A 83 5.237 -12.775 -8.474 1.00 25.42 H new ATOM 0 HB2 LEU A 83 7.656 -11.658 -7.402 1.00 2.14 H new ATOM 0 HB3 LEU A 83 8.056 -13.195 -8.142 1.00 2.14 H new ATOM 0 HG LEU A 83 6.322 -11.606 -9.864 1.00 13.44 H new ATOM 0 HD11 LEU A 83 7.985 -9.875 -10.417 1.00 75.44 H new ATOM 0 HD12 LEU A 83 7.397 -9.716 -8.745 1.00 75.44 H new ATOM 0 HD13 LEU A 83 8.999 -10.423 -9.061 1.00 75.44 H new ATOM 0 HD21 LEU A 83 8.107 -12.093 -11.491 1.00 72.24 H new ATOM 0 HD22 LEU A 83 9.125 -12.728 -10.177 1.00 72.24 H new ATOM 0 HD23 LEU A 83 7.607 -13.552 -10.603 1.00 72.24 H new ATOM 996 N THR A 84 6.741 -14.842 -6.377 1.00 3.21 N ATOM 997 CA THR A 84 6.921 -16.250 -6.049 1.00 71.21 C ATOM 998 C THR A 84 5.585 -16.982 -6.017 1.00 35.05 C ATOM 999 O THR A 84 5.526 -18.196 -6.213 1.00 32.11 O ATOM 1000 CB THR A 84 7.623 -16.426 -4.689 1.00 23.32 C ATOM 1001 OG1 THR A 84 9.012 -16.099 -4.809 1.00 14.13 O ATOM 1002 CG2 THR A 84 7.474 -17.853 -4.183 1.00 62.03 C ATOM 0 H THR A 84 7.149 -14.196 -5.701 1.00 3.21 H new ATOM 0 HA THR A 84 7.548 -16.678 -6.831 1.00 71.21 H new ATOM 0 HB THR A 84 7.152 -15.753 -3.972 1.00 23.32 H new ATOM 0 HG1 THR A 84 9.529 -16.626 -4.165 1.00 14.13 H new ATOM 0 HG21 THR A 84 7.978 -17.953 -3.222 1.00 62.03 H new ATOM 0 HG22 THR A 84 6.416 -18.088 -4.065 1.00 62.03 H new ATOM 0 HG23 THR A 84 7.921 -18.542 -4.900 1.00 62.03 H new ATOM 1010 N GLU A 85 4.512 -16.236 -5.768 1.00 31.42 N ATOM 1011 CA GLU A 85 3.176 -16.817 -5.709 1.00 72.24 C ATOM 1012 C GLU A 85 2.612 -17.026 -7.112 1.00 22.05 C ATOM 1013 O GLU A 85 1.795 -17.920 -7.336 1.00 63.35 O ATOM 1014 CB GLU A 85 2.240 -15.917 -4.900 1.00 54.34 C ATOM 1015 CG GLU A 85 0.767 -16.234 -5.099 1.00 61.33 C ATOM 1016 CD GLU A 85 -0.131 -15.452 -4.160 1.00 22.44 C ATOM 1017 OE1 GLU A 85 0.393 -14.875 -3.183 1.00 61.45 O ATOM 1018 OE2 GLU A 85 -1.355 -15.419 -4.400 1.00 14.52 O ATOM 0 H GLU A 85 4.542 -15.230 -5.604 1.00 31.42 H new ATOM 0 HA GLU A 85 3.250 -17.787 -5.217 1.00 72.24 H new ATOM 0 HB2 GLU A 85 2.484 -16.012 -3.842 1.00 54.34 H new ATOM 0 HB3 GLU A 85 2.420 -14.878 -5.177 1.00 54.34 H new ATOM 0 HG2 GLU A 85 0.488 -16.014 -6.129 1.00 61.33 H new ATOM 0 HG3 GLU A 85 0.605 -17.301 -4.946 1.00 61.33 H new ATOM 1025 N ILE A 86 3.053 -16.196 -8.050 1.00 54.41 N ATOM 1026 CA ILE A 86 2.593 -16.289 -9.430 1.00 61.12 C ATOM 1027 C ILE A 86 2.735 -17.712 -9.961 1.00 15.03 C ATOM 1028 O ILE A 86 1.882 -18.194 -10.708 1.00 0.12 O ATOM 1029 CB ILE A 86 3.373 -15.331 -10.350 1.00 41.01 C ATOM 1030 CG1 ILE A 86 3.215 -13.887 -9.868 1.00 40.14 C ATOM 1031 CG2 ILE A 86 2.895 -15.471 -11.788 1.00 1.03 C ATOM 1032 CD1 ILE A 86 3.965 -12.883 -10.716 1.00 42.20 C ATOM 0 H ILE A 86 3.729 -15.451 -7.880 1.00 54.41 H new ATOM 0 HA ILE A 86 1.541 -16.005 -9.432 1.00 61.12 H new ATOM 0 HB ILE A 86 4.430 -15.594 -10.313 1.00 41.01 H new ATOM 0 HG12 ILE A 86 2.156 -13.628 -9.863 1.00 40.14 H new ATOM 0 HG13 ILE A 86 3.566 -13.815 -8.838 1.00 40.14 H new ATOM 0 HG21 ILE A 86 3.456 -14.788 -12.426 1.00 1.03 H new ATOM 0 HG22 ILE A 86 3.053 -16.495 -12.126 1.00 1.03 H new ATOM 0 HG23 ILE A 86 1.833 -15.231 -11.844 1.00 1.03 H new ATOM 0 HD11 ILE A 86 3.808 -11.881 -10.317 1.00 42.20 H new ATOM 0 HD12 ILE A 86 5.029 -13.117 -10.701 1.00 42.20 H new ATOM 0 HD13 ILE A 86 3.598 -12.927 -11.741 1.00 42.20 H new ATOM 1044 N SER A 87 3.815 -18.380 -9.569 1.00 42.31 N ATOM 1045 CA SER A 87 4.069 -19.747 -10.007 1.00 33.32 C ATOM 1046 C SER A 87 4.154 -20.693 -8.812 1.00 43.15 C ATOM 1047 O SER A 87 4.147 -21.912 -8.971 1.00 33.40 O ATOM 1048 CB SER A 87 5.364 -19.813 -10.817 1.00 40.32 C ATOM 1049 OG SER A 87 5.171 -20.516 -12.032 1.00 72.40 O ATOM 0 H SER A 87 4.528 -17.997 -8.949 1.00 42.31 H new ATOM 0 HA SER A 87 3.238 -20.061 -10.639 1.00 33.32 H new ATOM 0 HB2 SER A 87 5.715 -18.803 -11.029 1.00 40.32 H new ATOM 0 HB3 SER A 87 6.140 -20.303 -10.229 1.00 40.32 H new ATOM 0 HG SER A 87 5.782 -20.166 -12.713 1.00 72.40 H new ATOM 1055 N ASN A 88 4.236 -20.119 -7.617 1.00 24.44 N ATOM 1056 CA ASN A 88 4.323 -20.910 -6.394 1.00 3.11 C ATOM 1057 C ASN A 88 5.462 -21.923 -6.481 1.00 14.50 C ATOM 1058 O ASN A 88 5.300 -23.084 -6.110 1.00 63.12 O ATOM 1059 CB ASN A 88 3.001 -21.634 -6.134 1.00 52.32 C ATOM 1060 CG ASN A 88 2.649 -21.684 -4.660 1.00 22.11 C ATOM 1061 OD1 ASN A 88 2.374 -22.752 -4.112 1.00 65.43 O ATOM 1062 ND2 ASN A 88 2.657 -20.527 -4.010 1.00 4.54 N ATOM 0 H ASN A 88 4.244 -19.110 -7.469 1.00 24.44 H new ATOM 0 HA ASN A 88 4.526 -20.231 -5.566 1.00 3.11 H new ATOM 0 HB2 ASN A 88 2.202 -21.132 -6.679 1.00 52.32 H new ATOM 0 HB3 ASN A 88 3.063 -22.650 -6.524 1.00 52.32 H new ATOM 0 HD21 ASN A 88 2.429 -20.499 -3.016 1.00 4.54 H new ATOM 0 HD22 ASN A 88 2.891 -19.666 -4.504 1.00 4.54 H new ATOM 1069 N GLN A 89 6.611 -21.472 -6.974 1.00 53.42 N ATOM 1070 CA GLN A 89 7.776 -22.338 -7.109 1.00 52.24 C ATOM 1071 C GLN A 89 8.956 -21.794 -6.312 1.00 14.42 C ATOM 1072 O GLN A 89 9.060 -20.589 -6.081 1.00 54.23 O ATOM 1073 CB GLN A 89 8.162 -22.480 -8.582 1.00 61.55 C ATOM 1074 CG GLN A 89 7.427 -23.600 -9.300 1.00 32.15 C ATOM 1075 CD GLN A 89 6.580 -23.098 -10.453 1.00 24.12 C ATOM 1076 OE1 GLN A 89 5.416 -23.474 -10.594 1.00 41.52 O ATOM 1077 NE2 GLN A 89 7.163 -22.244 -11.286 1.00 51.41 N ATOM 0 H GLN A 89 6.760 -20.512 -7.286 1.00 53.42 H new ATOM 0 HA GLN A 89 7.516 -23.319 -6.711 1.00 52.24 H new ATOM 0 HB2 GLN A 89 7.961 -21.539 -9.094 1.00 61.55 H new ATOM 0 HB3 GLN A 89 9.235 -22.658 -8.652 1.00 61.55 H new ATOM 0 HG2 GLN A 89 8.152 -24.323 -9.675 1.00 32.15 H new ATOM 0 HG3 GLN A 89 6.790 -24.126 -8.589 1.00 32.15 H new ATOM 0 HE21 GLN A 89 8.130 -21.960 -11.131 1.00 51.41 H new ATOM 0 HE22 GLN A 89 6.644 -21.872 -12.081 1.00 51.41 H new ATOM 1086 N LYS A 90 9.843 -22.689 -5.892 1.00 41.33 N ATOM 1087 CA LYS A 90 11.017 -22.299 -5.120 1.00 52.42 C ATOM 1088 C LYS A 90 11.695 -21.081 -5.739 1.00 5.33 C ATOM 1089 O LYS A 90 12.181 -20.199 -5.029 1.00 74.41 O ATOM 1090 CB LYS A 90 12.008 -23.462 -5.039 1.00 44.14 C ATOM 1091 CG LYS A 90 12.714 -23.567 -3.698 1.00 64.43 C ATOM 1092 CD LYS A 90 13.761 -24.668 -3.704 1.00 1.12 C ATOM 1093 CE LYS A 90 14.581 -24.664 -2.423 1.00 44.23 C ATOM 1094 NZ LYS A 90 14.064 -25.645 -1.430 1.00 63.41 N ATOM 0 H LYS A 90 9.771 -23.690 -6.073 1.00 41.33 H new ATOM 0 HA LYS A 90 10.690 -22.038 -4.114 1.00 52.42 H new ATOM 0 HB2 LYS A 90 11.478 -24.394 -5.235 1.00 44.14 H new ATOM 0 HB3 LYS A 90 12.754 -23.348 -5.825 1.00 44.14 H new ATOM 0 HG2 LYS A 90 13.188 -22.615 -3.460 1.00 64.43 H new ATOM 0 HG3 LYS A 90 11.982 -23.764 -2.915 1.00 64.43 H new ATOM 0 HD2 LYS A 90 13.273 -25.635 -3.822 1.00 1.12 H new ATOM 0 HD3 LYS A 90 14.422 -24.538 -4.561 1.00 1.12 H new ATOM 0 HE2 LYS A 90 15.620 -24.897 -2.656 1.00 44.23 H new ATOM 0 HE3 LYS A 90 14.568 -23.665 -1.987 1.00 44.23 H new ATOM 0 HZ1 LYS A 90 14.650 -25.611 -0.571 1.00 63.41 H new ATOM 0 HZ2 LYS A 90 13.081 -25.408 -1.188 1.00 63.41 H new ATOM 0 HZ3 LYS A 90 14.100 -26.602 -1.836 1.00 63.41 H new ATOM 1108 N THR A 91 11.725 -21.037 -7.067 1.00 63.33 N ATOM 1109 CA THR A 91 12.343 -19.927 -7.782 1.00 30.02 C ATOM 1110 C THR A 91 11.306 -18.881 -8.177 1.00 23.42 C ATOM 1111 O THR A 91 10.134 -18.991 -7.820 1.00 13.03 O ATOM 1112 CB THR A 91 13.075 -20.412 -9.048 1.00 42.51 C ATOM 1113 OG1 THR A 91 12.282 -21.392 -9.726 1.00 64.43 O ATOM 1114 CG2 THR A 91 14.431 -21.004 -8.696 1.00 72.14 C ATOM 0 H THR A 91 11.328 -21.758 -7.670 1.00 63.33 H new ATOM 0 HA THR A 91 13.067 -19.478 -7.102 1.00 30.02 H new ATOM 0 HB THR A 91 13.230 -19.554 -9.703 1.00 42.51 H new ATOM 0 HG1 THR A 91 12.753 -21.694 -10.531 1.00 64.43 H new ATOM 0 HG21 THR A 91 14.929 -21.339 -9.606 1.00 72.14 H new ATOM 0 HG22 THR A 91 15.043 -20.246 -8.206 1.00 72.14 H new ATOM 0 HG23 THR A 91 14.295 -21.851 -8.024 1.00 72.14 H new ATOM 1122 N VAL A 92 11.747 -17.869 -8.916 1.00 13.50 N ATOM 1123 CA VAL A 92 10.856 -16.804 -9.361 1.00 50.23 C ATOM 1124 C VAL A 92 10.736 -16.786 -10.880 1.00 50.22 C ATOM 1125 O VAL A 92 10.963 -15.767 -11.534 1.00 60.41 O ATOM 1126 CB VAL A 92 11.345 -15.424 -8.879 1.00 72.34 C ATOM 1127 CG1 VAL A 92 10.208 -14.414 -8.909 1.00 72.33 C ATOM 1128 CG2 VAL A 92 11.940 -15.529 -7.484 1.00 1.25 C ATOM 0 H VAL A 92 12.715 -17.764 -9.219 1.00 13.50 H new ATOM 0 HA VAL A 92 9.878 -17.007 -8.925 1.00 50.23 H new ATOM 0 HB VAL A 92 12.125 -15.076 -9.557 1.00 72.34 H new ATOM 0 HG11 VAL A 92 10.572 -13.446 -8.565 1.00 72.33 H new ATOM 0 HG12 VAL A 92 9.832 -14.320 -9.928 1.00 72.33 H new ATOM 0 HG13 VAL A 92 9.404 -14.752 -8.255 1.00 72.33 H new ATOM 0 HG21 VAL A 92 12.280 -14.546 -7.159 1.00 1.25 H new ATOM 0 HG22 VAL A 92 11.183 -15.898 -6.792 1.00 1.25 H new ATOM 0 HG23 VAL A 92 12.784 -16.218 -7.499 1.00 1.25 H new ATOM 1138 N PRO A 93 10.371 -17.940 -11.459 1.00 5.13 N ATOM 1139 CA PRO A 93 10.212 -18.083 -12.909 1.00 75.34 C ATOM 1140 C PRO A 93 9.001 -17.322 -13.437 1.00 74.41 C ATOM 1141 O PRO A 93 7.871 -17.563 -13.014 1.00 25.21 O ATOM 1142 CB PRO A 93 10.020 -19.590 -13.098 1.00 12.13 C ATOM 1143 CG PRO A 93 9.469 -20.067 -11.798 1.00 71.11 C ATOM 1144 CD PRO A 93 10.085 -19.193 -10.741 1.00 33.20 C ATOM 0 HA PRO A 93 11.064 -17.676 -13.454 1.00 75.34 H new ATOM 0 HB2 PRO A 93 9.336 -19.802 -13.920 1.00 12.13 H new ATOM 0 HB3 PRO A 93 10.963 -20.083 -13.333 1.00 12.13 H new ATOM 0 HG2 PRO A 93 8.382 -19.990 -11.783 1.00 71.11 H new ATOM 0 HG3 PRO A 93 9.716 -21.115 -11.630 1.00 71.11 H new ATOM 0 HD2 PRO A 93 9.403 -19.031 -9.906 1.00 33.20 H new ATOM 0 HD3 PRO A 93 10.992 -19.637 -10.331 1.00 33.20 H new ATOM 1152 N ASN A 94 9.245 -16.402 -14.365 1.00 71.33 N ATOM 1153 CA ASN A 94 8.174 -15.605 -14.951 1.00 35.12 C ATOM 1154 C ASN A 94 8.336 -15.503 -16.465 1.00 21.04 C ATOM 1155 O ASN A 94 9.236 -14.824 -16.958 1.00 4.53 O ATOM 1156 CB ASN A 94 8.154 -14.205 -14.334 1.00 1.45 C ATOM 1157 CG ASN A 94 7.050 -14.041 -13.308 1.00 51.10 C ATOM 1158 OD1 ASN A 94 6.216 -13.141 -13.415 1.00 4.11 O ATOM 1159 ND2 ASN A 94 7.040 -14.912 -12.305 1.00 52.21 N ATOM 0 H ASN A 94 10.175 -16.190 -14.727 1.00 71.33 H new ATOM 0 HA ASN A 94 7.228 -16.102 -14.737 1.00 35.12 H new ATOM 0 HB2 ASN A 94 9.116 -14.005 -13.863 1.00 1.45 H new ATOM 0 HB3 ASN A 94 8.025 -13.465 -15.124 1.00 1.45 H new ATOM 0 HD21 ASN A 94 6.321 -14.851 -11.584 1.00 52.21 H new ATOM 0 HD22 ASN A 94 7.751 -15.642 -12.256 1.00 52.21 H new ATOM 1166 N ILE A 95 7.460 -16.184 -17.196 1.00 14.45 N ATOM 1167 CA ILE A 95 7.506 -16.169 -18.652 1.00 52.53 C ATOM 1168 C ILE A 95 6.190 -15.667 -19.239 1.00 3.32 C ATOM 1169 O ILE A 95 5.205 -16.403 -19.300 1.00 15.01 O ATOM 1170 CB ILE A 95 7.807 -17.567 -19.220 1.00 64.35 C ATOM 1171 CG1 ILE A 95 7.277 -18.649 -18.278 1.00 71.54 C ATOM 1172 CG2 ILE A 95 9.303 -17.737 -19.442 1.00 70.32 C ATOM 1173 CD1 ILE A 95 8.255 -19.039 -17.193 1.00 44.12 C ATOM 0 H ILE A 95 6.710 -16.753 -16.803 1.00 14.45 H new ATOM 0 HA ILE A 95 8.310 -15.490 -18.935 1.00 52.53 H new ATOM 0 HB ILE A 95 7.302 -17.669 -20.181 1.00 64.35 H new ATOM 0 HG12 ILE A 95 6.355 -18.296 -17.815 1.00 71.54 H new ATOM 0 HG13 ILE A 95 7.022 -19.534 -18.861 1.00 71.54 H new ATOM 0 HG21 ILE A 95 9.501 -18.731 -19.844 1.00 70.32 H new ATOM 0 HG22 ILE A 95 9.654 -16.984 -20.147 1.00 70.32 H new ATOM 0 HG23 ILE A 95 9.827 -17.618 -18.494 1.00 70.32 H new ATOM 0 HD11 ILE A 95 7.811 -19.810 -16.563 1.00 44.12 H new ATOM 0 HD12 ILE A 95 9.169 -19.422 -17.647 1.00 44.12 H new ATOM 0 HD13 ILE A 95 8.491 -18.166 -16.585 1.00 44.12 H new ATOM 1185 N PHE A 96 6.182 -14.410 -19.670 1.00 5.31 N ATOM 1186 CA PHE A 96 4.988 -13.810 -20.253 1.00 42.14 C ATOM 1187 C PHE A 96 5.357 -12.842 -21.373 1.00 42.42 C ATOM 1188 O PHE A 96 5.959 -11.794 -21.131 1.00 61.41 O ATOM 1189 CB PHE A 96 4.181 -13.079 -19.177 1.00 65.24 C ATOM 1190 CG PHE A 96 3.973 -13.890 -17.930 1.00 53.05 C ATOM 1191 CD1 PHE A 96 4.992 -14.035 -17.004 1.00 2.22 C ATOM 1192 CD2 PHE A 96 2.757 -14.508 -17.686 1.00 63.14 C ATOM 1193 CE1 PHE A 96 4.802 -14.780 -15.855 1.00 65.23 C ATOM 1194 CE2 PHE A 96 2.562 -15.254 -16.540 1.00 34.33 C ATOM 1195 CZ PHE A 96 3.586 -15.392 -15.623 1.00 43.41 C ATOM 0 H PHE A 96 6.989 -13.787 -19.626 1.00 5.31 H new ATOM 0 HA PHE A 96 4.379 -14.610 -20.674 1.00 42.14 H new ATOM 0 HB2 PHE A 96 4.693 -12.152 -18.917 1.00 65.24 H new ATOM 0 HB3 PHE A 96 3.210 -12.803 -19.587 1.00 65.24 H new ATOM 0 HD1 PHE A 96 5.946 -13.561 -17.181 1.00 2.22 H new ATOM 0 HD2 PHE A 96 1.953 -14.405 -18.400 1.00 63.14 H new ATOM 0 HE1 PHE A 96 5.604 -14.883 -15.139 1.00 65.23 H new ATOM 0 HE2 PHE A 96 1.609 -15.729 -16.361 1.00 34.33 H new ATOM 0 HZ PHE A 96 3.436 -15.977 -14.727 1.00 43.41 H new ATOM 1205 N VAL A 97 4.993 -13.199 -22.600 1.00 70.24 N ATOM 1206 CA VAL A 97 5.285 -12.363 -23.759 1.00 25.12 C ATOM 1207 C VAL A 97 4.009 -11.997 -24.508 1.00 62.34 C ATOM 1208 O VAL A 97 3.115 -12.827 -24.674 1.00 1.55 O ATOM 1209 CB VAL A 97 6.254 -13.065 -24.729 1.00 32.45 C ATOM 1210 CG1 VAL A 97 5.825 -14.506 -24.962 1.00 4.23 C ATOM 1211 CG2 VAL A 97 6.335 -12.305 -26.044 1.00 33.01 C ATOM 0 H VAL A 97 4.495 -14.062 -22.818 1.00 70.24 H new ATOM 0 HA VAL A 97 5.755 -11.454 -23.383 1.00 25.12 H new ATOM 0 HB VAL A 97 7.247 -13.075 -24.280 1.00 32.45 H new ATOM 0 HG11 VAL A 97 6.521 -14.986 -25.650 1.00 4.23 H new ATOM 0 HG12 VAL A 97 5.823 -15.043 -24.013 1.00 4.23 H new ATOM 0 HG13 VAL A 97 4.823 -14.523 -25.390 1.00 4.23 H new ATOM 0 HG21 VAL A 97 7.024 -12.815 -26.717 1.00 33.01 H new ATOM 0 HG22 VAL A 97 5.346 -12.262 -26.501 1.00 33.01 H new ATOM 0 HG23 VAL A 97 6.693 -11.292 -25.858 1.00 33.01 H new ATOM 1221 N ASN A 98 3.931 -10.751 -24.962 1.00 21.14 N ATOM 1222 CA ASN A 98 2.764 -10.275 -25.695 1.00 15.42 C ATOM 1223 C ASN A 98 1.528 -10.263 -24.801 1.00 34.31 C ATOM 1224 O ASN A 98 0.415 -10.529 -25.257 1.00 3.53 O ATOM 1225 CB ASN A 98 2.512 -11.155 -26.920 1.00 42.32 C ATOM 1226 CG ASN A 98 1.998 -10.362 -28.107 1.00 3.21 C ATOM 1227 OD1 ASN A 98 0.793 -10.166 -28.262 1.00 70.40 O ATOM 1228 ND2 ASN A 98 2.914 -9.899 -28.951 1.00 32.31 N ATOM 0 H ASN A 98 4.663 -10.052 -24.835 1.00 21.14 H new ATOM 0 HA ASN A 98 2.963 -9.255 -26.023 1.00 15.42 H new ATOM 0 HB2 ASN A 98 3.437 -11.660 -27.197 1.00 42.32 H new ATOM 0 HB3 ASN A 98 1.790 -11.930 -26.664 1.00 42.32 H new ATOM 0 HD21 ASN A 98 2.628 -9.357 -29.767 1.00 32.31 H new ATOM 0 HD22 ASN A 98 3.903 -10.086 -28.783 1.00 32.31 H new ATOM 1235 N LYS A 99 1.730 -9.953 -23.525 1.00 22.31 N ATOM 1236 CA LYS A 99 0.633 -9.905 -22.565 1.00 4.33 C ATOM 1237 C LYS A 99 -0.060 -11.260 -22.462 1.00 43.53 C ATOM 1238 O LYS A 99 -1.286 -11.337 -22.389 1.00 54.51 O ATOM 1239 CB LYS A 99 -0.379 -8.831 -22.971 1.00 71.53 C ATOM 1240 CG LYS A 99 0.219 -7.439 -23.076 1.00 21.13 C ATOM 1241 CD LYS A 99 0.657 -7.126 -24.496 1.00 43.22 C ATOM 1242 CE LYS A 99 2.141 -6.794 -24.561 1.00 54.43 C ATOM 1243 NZ LYS A 99 2.595 -6.560 -25.959 1.00 63.14 N ATOM 0 H LYS A 99 2.644 -9.731 -23.131 1.00 22.31 H new ATOM 0 HA LYS A 99 1.048 -9.655 -21.589 1.00 4.33 H new ATOM 0 HB2 LYS A 99 -0.818 -9.102 -23.931 1.00 71.53 H new ATOM 0 HB3 LYS A 99 -1.190 -8.815 -22.243 1.00 71.53 H new ATOM 0 HG2 LYS A 99 -0.514 -6.702 -22.750 1.00 21.13 H new ATOM 0 HG3 LYS A 99 1.074 -7.358 -22.404 1.00 21.13 H new ATOM 0 HD2 LYS A 99 0.445 -7.980 -25.140 1.00 43.22 H new ATOM 0 HD3 LYS A 99 0.078 -6.286 -24.880 1.00 43.22 H new ATOM 0 HE2 LYS A 99 2.341 -5.907 -23.961 1.00 54.43 H new ATOM 0 HE3 LYS A 99 2.716 -7.611 -24.124 1.00 54.43 H new ATOM 0 HZ1 LYS A 99 3.634 -6.589 -25.996 1.00 63.14 H new ATOM 0 HZ2 LYS A 99 2.205 -7.299 -26.579 1.00 63.14 H new ATOM 0 HZ3 LYS A 99 2.263 -5.628 -26.280 1.00 63.14 H new ATOM 1257 N VAL A 100 0.734 -12.326 -22.455 1.00 12.31 N ATOM 1258 CA VAL A 100 0.196 -13.678 -22.357 1.00 44.35 C ATOM 1259 C VAL A 100 1.054 -14.546 -21.443 1.00 72.42 C ATOM 1260 O VAL A 100 2.224 -14.246 -21.203 1.00 33.31 O ATOM 1261 CB VAL A 100 0.103 -14.345 -23.742 1.00 72.35 C ATOM 1262 CG1 VAL A 100 1.381 -15.108 -24.055 1.00 30.03 C ATOM 1263 CG2 VAL A 100 -1.106 -15.266 -23.809 1.00 72.14 C ATOM 0 H VAL A 100 1.751 -12.280 -22.516 1.00 12.31 H new ATOM 0 HA VAL A 100 -0.805 -13.591 -21.935 1.00 44.35 H new ATOM 0 HB VAL A 100 -0.020 -13.565 -24.494 1.00 72.35 H new ATOM 0 HG11 VAL A 100 1.296 -15.572 -25.038 1.00 30.03 H new ATOM 0 HG12 VAL A 100 2.226 -14.420 -24.051 1.00 30.03 H new ATOM 0 HG13 VAL A 100 1.538 -15.880 -23.301 1.00 30.03 H new ATOM 0 HG21 VAL A 100 -1.157 -15.729 -24.794 1.00 72.14 H new ATOM 0 HG22 VAL A 100 -1.015 -16.041 -23.048 1.00 72.14 H new ATOM 0 HG23 VAL A 100 -2.013 -14.689 -23.633 1.00 72.14 H new ATOM 1273 N HIS A 101 0.464 -15.624 -20.936 1.00 64.21 N ATOM 1274 CA HIS A 101 1.176 -16.537 -20.049 1.00 72.42 C ATOM 1275 C HIS A 101 1.739 -17.724 -20.827 1.00 14.41 C ATOM 1276 O HIS A 101 1.040 -18.338 -21.633 1.00 44.02 O ATOM 1277 CB HIS A 101 0.245 -17.035 -18.942 1.00 71.13 C ATOM 1278 CG HIS A 101 -1.063 -17.559 -19.450 1.00 63.01 C ATOM 1279 ND1 HIS A 101 -2.219 -16.809 -19.465 1.00 33.41 N ATOM 1280 CD2 HIS A 101 -1.392 -18.768 -19.965 1.00 44.42 C ATOM 1281 CE1 HIS A 101 -3.204 -17.534 -19.965 1.00 74.10 C ATOM 1282 NE2 HIS A 101 -2.729 -18.726 -20.278 1.00 1.34 N ATOM 0 H HIS A 101 -0.504 -15.886 -21.124 1.00 64.21 H new ATOM 0 HA HIS A 101 2.007 -15.993 -19.599 1.00 72.42 H new ATOM 0 HB2 HIS A 101 0.749 -17.822 -18.381 1.00 71.13 H new ATOM 0 HB3 HIS A 101 0.054 -16.219 -18.245 1.00 71.13 H new ATOM 0 HD2 HIS A 101 -0.727 -19.608 -20.104 1.00 44.42 H new ATOM 0 HE1 HIS A 101 -4.225 -17.207 -20.096 1.00 74.10 H new ATOM 0 HE2 HIS A 101 -3.267 -19.491 -20.686 1.00 1.34 H new ATOM 1290 N VAL A 102 3.006 -18.039 -20.581 1.00 13.01 N ATOM 1291 CA VAL A 102 3.663 -19.150 -21.258 1.00 22.12 C ATOM 1292 C VAL A 102 3.712 -20.385 -20.365 1.00 74.52 C ATOM 1293 O VAL A 102 3.446 -21.500 -20.815 1.00 34.24 O ATOM 1294 CB VAL A 102 5.096 -18.781 -21.684 1.00 22.24 C ATOM 1295 CG1 VAL A 102 5.811 -19.993 -22.262 1.00 55.35 C ATOM 1296 CG2 VAL A 102 5.075 -17.635 -22.684 1.00 44.11 C ATOM 0 H VAL A 102 3.598 -17.540 -19.917 1.00 13.01 H new ATOM 0 HA VAL A 102 3.074 -19.371 -22.148 1.00 22.12 H new ATOM 0 HB VAL A 102 5.646 -18.453 -20.802 1.00 22.24 H new ATOM 0 HG11 VAL A 102 6.822 -19.712 -22.557 1.00 55.35 H new ATOM 0 HG12 VAL A 102 5.858 -20.781 -21.510 1.00 55.35 H new ATOM 0 HG13 VAL A 102 5.266 -20.356 -23.134 1.00 55.35 H new ATOM 0 HG21 VAL A 102 6.096 -17.387 -22.975 1.00 44.11 H new ATOM 0 HG22 VAL A 102 4.509 -17.933 -23.567 1.00 44.11 H new ATOM 0 HG23 VAL A 102 4.605 -16.763 -22.228 1.00 44.11 H new ATOM 1306 N GLY A 103 4.054 -20.180 -19.098 1.00 3.54 N ATOM 1307 CA GLY A 103 4.132 -21.286 -18.162 1.00 2.45 C ATOM 1308 C GLY A 103 5.529 -21.476 -17.603 1.00 12.15 C ATOM 1309 O GLY A 103 5.837 -21.000 -16.511 1.00 3.42 O ATOM 0 H GLY A 103 4.279 -19.267 -18.702 1.00 3.54 H new ATOM 0 HA2 GLY A 103 3.436 -21.113 -17.341 1.00 2.45 H new ATOM 0 HA3 GLY A 103 3.816 -22.202 -18.660 1.00 2.45 H new ATOM 1313 N GLY A 104 6.374 -22.175 -18.352 1.00 22.22 N ATOM 1314 CA GLY A 104 7.735 -22.416 -17.908 1.00 70.10 C ATOM 1315 C GLY A 104 7.880 -23.732 -17.169 1.00 14.35 C ATOM 1316 O GLY A 104 6.890 -24.304 -16.709 1.00 3.11 O ATOM 0 H GLY A 104 6.141 -22.579 -19.259 1.00 22.22 H new ATOM 0 HA2 GLY A 104 8.401 -22.412 -18.771 1.00 70.10 H new ATOM 0 HA3 GLY A 104 8.051 -21.601 -17.257 1.00 70.10 H new ATOM 1320 N CYS A 105 9.112 -24.212 -17.056 1.00 22.24 N ATOM 1321 CA CYS A 105 9.383 -25.471 -16.370 1.00 35.01 C ATOM 1322 C CYS A 105 8.800 -26.648 -17.144 1.00 62.45 C ATOM 1323 O CYS A 105 8.773 -27.776 -16.652 1.00 35.12 O ATOM 1324 CB CYS A 105 8.802 -25.439 -14.955 1.00 2.22 C ATOM 1325 SG CYS A 105 9.504 -26.679 -13.841 1.00 60.23 S ATOM 0 H CYS A 105 9.940 -23.749 -17.430 1.00 22.24 H new ATOM 0 HA CYS A 105 10.464 -25.598 -16.310 1.00 35.01 H new ATOM 0 HB2 CYS A 105 8.965 -24.449 -14.529 1.00 2.22 H new ATOM 0 HB3 CYS A 105 7.724 -25.587 -15.013 1.00 2.22 H new ATOM 0 HG CYS A 105 9.606 -27.815 -14.465 1.00 60.23 H new ATOM 1331 N ASP A 106 8.335 -26.378 -18.359 1.00 72.04 N ATOM 1332 CA ASP A 106 7.751 -27.415 -19.203 1.00 61.12 C ATOM 1333 C ASP A 106 7.143 -26.811 -20.465 1.00 1.20 C ATOM 1334 O ASP A 106 7.315 -27.340 -21.563 1.00 71.10 O ATOM 1335 CB ASP A 106 6.686 -28.192 -18.429 1.00 73.53 C ATOM 1336 CG ASP A 106 5.711 -28.908 -19.345 1.00 43.31 C ATOM 1337 OD1 ASP A 106 6.170 -29.689 -20.206 1.00 11.34 O ATOM 1338 OD2 ASP A 106 4.491 -28.688 -19.201 1.00 52.52 O ATOM 0 H ASP A 106 8.351 -25.450 -18.782 1.00 72.04 H new ATOM 0 HA ASP A 106 8.546 -28.100 -19.498 1.00 61.12 H new ATOM 0 HB2 ASP A 106 7.172 -28.920 -17.780 1.00 73.53 H new ATOM 0 HB3 ASP A 106 6.137 -27.506 -17.784 1.00 73.53 H new ATOM 1343 N ARG A 107 6.430 -25.702 -20.299 1.00 20.24 N ATOM 1344 CA ARG A 107 5.794 -25.027 -21.424 1.00 44.10 C ATOM 1345 C ARG A 107 6.813 -24.216 -22.218 1.00 42.01 C ATOM 1346 O ARG A 107 7.000 -24.434 -23.417 1.00 24.33 O ATOM 1347 CB ARG A 107 4.673 -24.112 -20.929 1.00 51.04 C ATOM 1348 CG ARG A 107 3.382 -24.248 -21.722 1.00 22.13 C ATOM 1349 CD ARG A 107 3.585 -23.887 -23.184 1.00 44.12 C ATOM 1350 NE ARG A 107 2.332 -23.904 -23.932 1.00 15.12 N ATOM 1351 CZ ARG A 107 1.419 -22.942 -23.857 1.00 55.45 C ATOM 1352 NH1 ARG A 107 1.620 -21.891 -23.074 1.00 20.21 N ATOM 1353 NH2 ARG A 107 0.302 -23.029 -24.569 1.00 43.43 N ATOM 0 H ARG A 107 6.278 -25.252 -19.396 1.00 20.24 H new ATOM 0 HA ARG A 107 5.370 -25.788 -22.080 1.00 44.10 H new ATOM 0 HB2 ARG A 107 4.471 -24.333 -19.881 1.00 51.04 H new ATOM 0 HB3 ARG A 107 5.012 -23.077 -20.977 1.00 51.04 H new ATOM 0 HG2 ARG A 107 3.014 -25.271 -21.647 1.00 22.13 H new ATOM 0 HG3 ARG A 107 2.618 -23.602 -21.289 1.00 22.13 H new ATOM 0 HD2 ARG A 107 4.035 -22.897 -23.253 1.00 44.12 H new ATOM 0 HD3 ARG A 107 4.286 -24.588 -23.636 1.00 44.12 H new ATOM 0 HE ARG A 107 2.147 -24.698 -24.546 1.00 15.12 H new ATOM 0 HH11 ARG A 107 2.478 -21.819 -22.527 1.00 20.21 H new ATOM 0 HH12 ARG A 107 0.917 -21.154 -23.019 1.00 20.21 H new ATOM 0 HH21 ARG A 107 0.144 -23.835 -25.174 1.00 43.43 H new ATOM 0 HH22 ARG A 107 -0.399 -22.290 -24.511 1.00 43.43 H new ATOM 1367 N THR A 108 7.471 -23.279 -21.544 1.00 4.11 N ATOM 1368 CA THR A 108 8.470 -22.434 -22.186 1.00 4.40 C ATOM 1369 C THR A 108 9.560 -23.274 -22.843 1.00 40.45 C ATOM 1370 O THR A 108 10.192 -22.843 -23.809 1.00 72.21 O ATOM 1371 CB THR A 108 9.120 -21.467 -21.179 1.00 3.02 C ATOM 1372 OG1 THR A 108 8.139 -20.557 -20.670 1.00 41.20 O ATOM 1373 CG2 THR A 108 10.253 -20.687 -21.830 1.00 61.43 C ATOM 0 H THR A 108 7.330 -23.086 -20.552 1.00 4.11 H new ATOM 0 HA THR A 108 7.950 -21.855 -22.950 1.00 4.40 H new ATOM 0 HB THR A 108 9.530 -22.055 -20.358 1.00 3.02 H new ATOM 0 HG1 THR A 108 7.452 -21.056 -20.181 1.00 41.20 H new ATOM 0 HG21 THR A 108 10.696 -20.011 -21.099 1.00 61.43 H new ATOM 0 HG22 THR A 108 11.013 -21.381 -22.190 1.00 61.43 H new ATOM 0 HG23 THR A 108 9.863 -20.110 -22.668 1.00 61.43 H new ATOM 1381 N PHE A 109 9.776 -24.474 -22.315 1.00 0.33 N ATOM 1382 CA PHE A 109 10.790 -25.374 -22.851 1.00 22.04 C ATOM 1383 C PHE A 109 10.229 -26.198 -24.006 1.00 24.55 C ATOM 1384 O PHE A 109 10.900 -26.403 -25.017 1.00 2.51 O ATOM 1385 CB PHE A 109 11.310 -26.302 -21.751 1.00 33.13 C ATOM 1386 CG PHE A 109 12.777 -26.138 -21.473 1.00 24.53 C ATOM 1387 CD1 PHE A 109 13.290 -24.909 -21.090 1.00 63.32 C ATOM 1388 CD2 PHE A 109 13.642 -27.214 -21.592 1.00 42.14 C ATOM 1389 CE1 PHE A 109 14.640 -24.756 -20.835 1.00 33.02 C ATOM 1390 CE2 PHE A 109 14.993 -27.067 -21.338 1.00 14.33 C ATOM 1391 CZ PHE A 109 15.492 -25.836 -20.957 1.00 22.31 C ATOM 0 H PHE A 109 9.262 -24.846 -21.516 1.00 0.33 H new ATOM 0 HA PHE A 109 11.616 -24.770 -23.227 1.00 22.04 H new ATOM 0 HB2 PHE A 109 10.751 -26.114 -20.834 1.00 33.13 H new ATOM 0 HB3 PHE A 109 11.116 -27.336 -22.037 1.00 33.13 H new ATOM 0 HD1 PHE A 109 12.628 -24.062 -20.990 1.00 63.32 H new ATOM 0 HD2 PHE A 109 13.256 -28.179 -21.887 1.00 42.14 H new ATOM 0 HE1 PHE A 109 15.028 -23.792 -20.540 1.00 33.02 H new ATOM 0 HE2 PHE A 109 15.657 -27.913 -21.437 1.00 14.33 H new ATOM 0 HZ PHE A 109 16.546 -25.719 -20.755 1.00 22.31 H new ATOM 1401 N GLN A 110 8.998 -26.670 -23.845 1.00 74.21 N ATOM 1402 CA GLN A 110 8.347 -27.474 -24.874 1.00 1.23 C ATOM 1403 C GLN A 110 7.981 -26.619 -26.082 1.00 41.41 C ATOM 1404 O GLN A 110 8.391 -26.907 -27.205 1.00 44.33 O ATOM 1405 CB GLN A 110 7.094 -28.145 -24.309 1.00 55.21 C ATOM 1406 CG GLN A 110 6.432 -29.111 -25.280 1.00 21.05 C ATOM 1407 CD GLN A 110 6.761 -30.560 -24.975 1.00 54.53 C ATOM 1408 OE1 GLN A 110 5.880 -31.420 -24.976 1.00 13.13 O ATOM 1409 NE2 GLN A 110 8.032 -30.836 -24.715 1.00 23.42 N ATOM 0 H GLN A 110 8.431 -26.510 -23.013 1.00 74.21 H new ATOM 0 HA GLN A 110 9.048 -28.244 -25.197 1.00 1.23 H new ATOM 0 HB2 GLN A 110 7.359 -28.682 -23.398 1.00 55.21 H new ATOM 0 HB3 GLN A 110 6.375 -27.376 -24.028 1.00 55.21 H new ATOM 0 HG2 GLN A 110 5.351 -28.972 -25.245 1.00 21.05 H new ATOM 0 HG3 GLN A 110 6.751 -28.876 -26.295 1.00 21.05 H new ATOM 0 HE21 GLN A 110 8.728 -30.091 -24.725 1.00 23.42 H new ATOM 0 HE22 GLN A 110 8.313 -31.794 -24.505 1.00 23.42 H new ATOM 1418 N ALA A 111 7.205 -25.567 -25.843 1.00 3.41 N ATOM 1419 CA ALA A 111 6.785 -24.668 -26.911 1.00 4.15 C ATOM 1420 C ALA A 111 7.966 -24.269 -27.789 1.00 65.01 C ATOM 1421 O ALA A 111 7.805 -24.004 -28.981 1.00 73.33 O ATOM 1422 CB ALA A 111 6.115 -23.432 -26.329 1.00 45.21 C ATOM 0 H ALA A 111 6.854 -25.316 -24.919 1.00 3.41 H new ATOM 0 HA ALA A 111 6.065 -25.197 -27.535 1.00 4.15 H new ATOM 0 HB1 ALA A 111 5.807 -22.770 -27.138 1.00 45.21 H new ATOM 0 HB2 ALA A 111 5.240 -23.730 -25.751 1.00 45.21 H new ATOM 0 HB3 ALA A 111 6.817 -22.909 -25.680 1.00 45.21 H new ATOM 1428 N HIS A 112 9.153 -24.226 -27.193 1.00 2.22 N ATOM 1429 CA HIS A 112 10.362 -23.859 -27.921 1.00 20.00 C ATOM 1430 C HIS A 112 10.647 -24.857 -29.040 1.00 51.52 C ATOM 1431 O HIS A 112 10.766 -24.478 -30.205 1.00 31.42 O ATOM 1432 CB HIS A 112 11.556 -23.789 -26.968 1.00 50.04 C ATOM 1433 CG HIS A 112 12.881 -23.817 -27.665 1.00 72.53 C ATOM 1434 ND1 HIS A 112 13.130 -23.135 -28.838 1.00 20.10 N ATOM 1435 CD2 HIS A 112 14.035 -24.450 -27.349 1.00 33.04 C ATOM 1436 CE1 HIS A 112 14.379 -23.348 -29.213 1.00 11.03 C ATOM 1437 NE2 HIS A 112 14.950 -24.143 -28.326 1.00 33.41 N ATOM 0 H HIS A 112 9.303 -24.441 -26.207 1.00 2.22 H new ATOM 0 HA HIS A 112 10.204 -22.877 -28.366 1.00 20.00 H new ATOM 0 HB2 HIS A 112 11.485 -22.876 -26.376 1.00 50.04 H new ATOM 0 HB3 HIS A 112 11.504 -24.625 -26.271 1.00 50.04 H new ATOM 0 HD2 HIS A 112 14.205 -25.080 -26.488 1.00 33.04 H new ATOM 0 HE1 HIS A 112 14.852 -22.941 -30.094 1.00 11.03 H new ATOM 0 HE2 HIS A 112 15.914 -24.475 -28.361 1.00 33.41 H new ATOM 1445 N GLN A 113 10.756 -26.130 -28.677 1.00 14.14 N ATOM 1446 CA GLN A 113 11.028 -27.181 -29.651 1.00 0.05 C ATOM 1447 C GLN A 113 9.756 -27.580 -30.390 1.00 62.34 C ATOM 1448 O GLN A 113 9.811 -28.238 -31.428 1.00 74.12 O ATOM 1449 CB GLN A 113 11.634 -28.402 -28.958 1.00 62.40 C ATOM 1450 CG GLN A 113 10.596 -29.367 -28.408 1.00 14.44 C ATOM 1451 CD GLN A 113 11.214 -30.498 -27.609 1.00 53.54 C ATOM 1452 OE1 GLN A 113 11.131 -31.664 -27.997 1.00 25.13 O ATOM 1453 NE2 GLN A 113 11.839 -30.159 -26.488 1.00 22.11 N ATOM 0 H GLN A 113 10.660 -26.459 -27.716 1.00 14.14 H new ATOM 0 HA GLN A 113 11.742 -26.793 -30.378 1.00 0.05 H new ATOM 0 HB2 GLN A 113 12.272 -28.932 -29.666 1.00 62.40 H new ATOM 0 HB3 GLN A 113 12.274 -28.066 -28.142 1.00 62.40 H new ATOM 0 HG2 GLN A 113 9.897 -28.820 -27.775 1.00 14.44 H new ATOM 0 HG3 GLN A 113 10.020 -29.784 -29.234 1.00 14.44 H new ATOM 0 HE21 GLN A 113 11.883 -29.180 -26.205 1.00 22.11 H new ATOM 0 HE22 GLN A 113 12.275 -30.877 -25.910 1.00 22.11 H new ATOM 1462 N ASN A 114 8.611 -27.177 -29.850 1.00 20.02 N ATOM 1463 CA ASN A 114 7.325 -27.493 -30.459 1.00 34.32 C ATOM 1464 C ASN A 114 6.933 -26.435 -31.485 1.00 43.33 C ATOM 1465 O ASN A 114 6.073 -26.666 -32.334 1.00 13.33 O ATOM 1466 CB ASN A 114 6.241 -27.602 -29.384 1.00 20.04 C ATOM 1467 CG ASN A 114 4.842 -27.586 -29.970 1.00 32.45 C ATOM 1468 OD1 ASN A 114 4.571 -28.241 -30.977 1.00 2.21 O ATOM 1469 ND2 ASN A 114 3.945 -26.836 -29.339 1.00 44.35 N ATOM 0 H ASN A 114 8.548 -26.630 -28.991 1.00 20.02 H new ATOM 0 HA ASN A 114 7.420 -28.451 -30.970 1.00 34.32 H new ATOM 0 HB2 ASN A 114 6.385 -28.523 -28.819 1.00 20.04 H new ATOM 0 HB3 ASN A 114 6.347 -26.776 -28.680 1.00 20.04 H new ATOM 0 HD21 ASN A 114 2.987 -26.786 -29.686 1.00 44.35 H new ATOM 0 HD22 ASN A 114 4.214 -26.310 -28.508 1.00 44.35 H new ATOM 1476 N GLY A 115 7.572 -25.272 -31.402 1.00 4.03 N ATOM 1477 CA GLY A 115 7.278 -24.195 -32.329 1.00 1.10 C ATOM 1478 C GLY A 115 6.181 -23.278 -31.824 1.00 65.43 C ATOM 1479 O GLY A 115 5.847 -22.285 -32.471 1.00 33.12 O ATOM 0 H GLY A 115 8.289 -25.057 -30.709 1.00 4.03 H new ATOM 0 HA2 GLY A 115 8.183 -23.612 -32.503 1.00 1.10 H new ATOM 0 HA3 GLY A 115 6.981 -24.617 -33.289 1.00 1.10 H new ATOM 1483 N LEU A 116 5.620 -23.612 -30.668 1.00 50.11 N ATOM 1484 CA LEU A 116 4.552 -22.813 -30.078 1.00 15.14 C ATOM 1485 C LEU A 116 5.115 -21.563 -29.407 1.00 33.53 C ATOM 1486 O LEU A 116 4.391 -20.598 -29.162 1.00 44.30 O ATOM 1487 CB LEU A 116 3.769 -23.643 -29.058 1.00 43.25 C ATOM 1488 CG LEU A 116 2.533 -22.975 -28.455 1.00 70.55 C ATOM 1489 CD1 LEU A 116 2.923 -22.093 -27.280 1.00 75.15 C ATOM 1490 CD2 LEU A 116 1.796 -22.165 -29.512 1.00 24.21 C ATOM 0 H LEU A 116 5.886 -24.430 -30.120 1.00 50.11 H new ATOM 0 HA LEU A 116 3.880 -22.504 -30.878 1.00 15.14 H new ATOM 0 HB2 LEU A 116 3.458 -24.571 -29.537 1.00 43.25 H new ATOM 0 HB3 LEU A 116 4.443 -23.914 -28.246 1.00 43.25 H new ATOM 0 HG LEU A 116 1.863 -23.754 -28.091 1.00 70.55 H new ATOM 0 HD11 LEU A 116 2.030 -21.626 -26.864 1.00 75.15 H new ATOM 0 HD12 LEU A 116 3.406 -22.700 -26.514 1.00 75.15 H new ATOM 0 HD13 LEU A 116 3.613 -21.320 -27.619 1.00 75.15 H new ATOM 0 HD21 LEU A 116 0.919 -21.696 -29.065 1.00 24.21 H new ATOM 0 HD22 LEU A 116 2.458 -21.394 -29.907 1.00 24.21 H new ATOM 0 HD23 LEU A 116 1.483 -22.824 -30.322 1.00 24.21 H new ATOM 1502 N LEU A 117 6.410 -21.588 -29.113 1.00 33.51 N ATOM 1503 CA LEU A 117 7.072 -20.458 -28.472 1.00 54.15 C ATOM 1504 C LEU A 117 7.613 -19.482 -29.513 1.00 35.21 C ATOM 1505 O LEU A 117 7.390 -18.275 -29.420 1.00 52.13 O ATOM 1506 CB LEU A 117 8.210 -20.948 -27.577 1.00 23.24 C ATOM 1507 CG LEU A 117 8.486 -20.115 -26.324 1.00 72.04 C ATOM 1508 CD1 LEU A 117 7.386 -20.320 -25.295 1.00 32.33 C ATOM 1509 CD2 LEU A 117 9.844 -20.469 -25.735 1.00 34.22 C ATOM 0 H LEU A 117 7.023 -22.379 -29.309 1.00 33.51 H new ATOM 0 HA LEU A 117 6.336 -19.937 -27.860 1.00 54.15 H new ATOM 0 HB2 LEU A 117 7.988 -21.970 -27.268 1.00 23.24 H new ATOM 0 HB3 LEU A 117 9.123 -20.986 -28.172 1.00 23.24 H new ATOM 0 HG LEU A 117 8.500 -19.062 -26.607 1.00 72.04 H new ATOM 0 HD11 LEU A 117 7.599 -19.720 -24.410 1.00 32.33 H new ATOM 0 HD12 LEU A 117 6.429 -20.015 -25.719 1.00 32.33 H new ATOM 0 HD13 LEU A 117 7.340 -21.373 -25.017 1.00 32.33 H new ATOM 0 HD21 LEU A 117 10.023 -19.866 -24.845 1.00 34.22 H new ATOM 0 HD22 LEU A 117 9.860 -21.526 -25.467 1.00 34.22 H new ATOM 0 HD23 LEU A 117 10.623 -20.269 -26.471 1.00 34.22 H new ATOM 1521 N GLN A 118 8.321 -20.014 -30.504 1.00 34.04 N ATOM 1522 CA GLN A 118 8.891 -19.190 -31.563 1.00 5.35 C ATOM 1523 C GLN A 118 7.823 -18.308 -32.202 1.00 14.24 C ATOM 1524 O GLN A 118 8.087 -17.164 -32.574 1.00 24.24 O ATOM 1525 CB GLN A 118 9.545 -20.071 -32.629 1.00 35.55 C ATOM 1526 CG GLN A 118 8.545 -20.795 -33.517 1.00 4.43 C ATOM 1527 CD GLN A 118 8.160 -19.986 -34.740 1.00 33.14 C ATOM 1528 OE1 GLN A 118 8.882 -19.077 -35.150 1.00 72.21 O ATOM 1529 NE2 GLN A 118 7.016 -20.314 -35.329 1.00 64.35 N ATOM 0 H GLN A 118 8.513 -21.011 -30.596 1.00 34.04 H new ATOM 0 HA GLN A 118 9.650 -18.546 -31.118 1.00 5.35 H new ATOM 0 HB2 GLN A 118 10.191 -19.453 -33.252 1.00 35.55 H new ATOM 0 HB3 GLN A 118 10.183 -20.807 -32.139 1.00 35.55 H new ATOM 0 HG2 GLN A 118 8.969 -21.747 -33.835 1.00 4.43 H new ATOM 0 HG3 GLN A 118 7.649 -21.022 -32.939 1.00 4.43 H new ATOM 0 HE21 GLN A 118 6.449 -21.075 -34.954 1.00 64.35 H new ATOM 0 HE22 GLN A 118 6.704 -19.805 -36.156 1.00 64.35 H new ATOM 1538 N LYS A 119 6.615 -18.847 -32.325 1.00 40.04 N ATOM 1539 CA LYS A 119 5.505 -18.109 -32.918 1.00 64.51 C ATOM 1540 C LYS A 119 4.940 -17.092 -31.932 1.00 13.31 C ATOM 1541 O LYS A 119 4.332 -16.098 -32.330 1.00 52.42 O ATOM 1542 CB LYS A 119 4.403 -19.075 -33.360 1.00 12.31 C ATOM 1543 CG LYS A 119 3.834 -19.910 -32.225 1.00 44.25 C ATOM 1544 CD LYS A 119 2.709 -20.811 -32.706 1.00 4.33 C ATOM 1545 CE LYS A 119 3.229 -21.919 -33.609 1.00 53.31 C ATOM 1546 NZ LYS A 119 2.341 -22.136 -34.785 1.00 23.42 N ATOM 0 H LYS A 119 6.379 -19.792 -32.022 1.00 40.04 H new ATOM 0 HA LYS A 119 5.881 -17.573 -33.789 1.00 64.51 H new ATOM 0 HB2 LYS A 119 3.596 -18.506 -33.821 1.00 12.31 H new ATOM 0 HB3 LYS A 119 4.801 -19.741 -34.126 1.00 12.31 H new ATOM 0 HG2 LYS A 119 4.626 -20.517 -31.786 1.00 44.25 H new ATOM 0 HG3 LYS A 119 3.464 -19.253 -31.438 1.00 44.25 H new ATOM 0 HD2 LYS A 119 2.200 -21.249 -31.847 1.00 4.33 H new ATOM 0 HD3 LYS A 119 1.971 -20.217 -33.245 1.00 4.33 H new ATOM 0 HE2 LYS A 119 4.232 -21.667 -33.953 1.00 53.31 H new ATOM 0 HE3 LYS A 119 3.310 -22.845 -33.039 1.00 53.31 H new ATOM 0 HZ1 LYS A 119 2.728 -22.899 -35.377 1.00 23.42 H new ATOM 0 HZ2 LYS A 119 1.390 -22.401 -34.458 1.00 23.42 H new ATOM 0 HZ3 LYS A 119 2.284 -21.260 -35.343 1.00 23.42 H new ATOM 1560 N LEU A 120 5.144 -17.346 -30.644 1.00 64.40 N ATOM 1561 CA LEU A 120 4.656 -16.451 -29.601 1.00 12.33 C ATOM 1562 C LEU A 120 5.534 -15.208 -29.494 1.00 63.01 C ATOM 1563 O LEU A 120 5.045 -14.081 -29.578 1.00 43.50 O ATOM 1564 CB LEU A 120 4.617 -17.178 -28.255 1.00 53.13 C ATOM 1565 CG LEU A 120 3.537 -16.718 -27.275 1.00 64.12 C ATOM 1566 CD1 LEU A 120 3.706 -17.410 -25.931 1.00 43.31 C ATOM 1567 CD2 LEU A 120 3.578 -15.206 -27.109 1.00 34.44 C ATOM 0 H LEU A 120 5.644 -18.165 -30.297 1.00 64.40 H new ATOM 0 HA LEU A 120 3.647 -16.138 -29.869 1.00 12.33 H new ATOM 0 HB2 LEU A 120 4.479 -18.243 -28.444 1.00 53.13 H new ATOM 0 HB3 LEU A 120 5.588 -17.063 -27.774 1.00 53.13 H new ATOM 0 HG LEU A 120 2.563 -16.992 -27.681 1.00 64.12 H new ATOM 0 HD11 LEU A 120 2.929 -17.070 -25.247 1.00 43.31 H new ATOM 0 HD12 LEU A 120 3.626 -18.489 -26.065 1.00 43.31 H new ATOM 0 HD13 LEU A 120 4.685 -17.167 -25.517 1.00 43.31 H new ATOM 0 HD21 LEU A 120 2.803 -14.896 -26.408 1.00 34.44 H new ATOM 0 HD22 LEU A 120 4.554 -14.908 -26.726 1.00 34.44 H new ATOM 0 HD23 LEU A 120 3.407 -14.729 -28.074 1.00 34.44 H new ATOM 1579 N LEU A 121 6.832 -15.421 -29.311 1.00 65.24 N ATOM 1580 CA LEU A 121 7.780 -14.318 -29.197 1.00 73.22 C ATOM 1581 C LEU A 121 7.811 -13.491 -30.478 1.00 15.41 C ATOM 1582 O LEU A 121 8.176 -12.315 -30.459 1.00 72.55 O ATOM 1583 CB LEU A 121 9.180 -14.852 -28.887 1.00 14.02 C ATOM 1584 CG LEU A 121 9.249 -16.024 -27.907 1.00 43.21 C ATOM 1585 CD1 LEU A 121 10.693 -16.333 -27.546 1.00 64.23 C ATOM 1586 CD2 LEU A 121 8.437 -15.722 -26.656 1.00 12.12 C ATOM 0 H LEU A 121 7.253 -16.347 -29.238 1.00 65.24 H new ATOM 0 HA LEU A 121 7.454 -13.675 -28.380 1.00 73.22 H new ATOM 0 HB2 LEU A 121 9.646 -15.159 -29.823 1.00 14.02 H new ATOM 0 HB3 LEU A 121 9.779 -14.034 -28.487 1.00 14.02 H new ATOM 0 HG LEU A 121 8.821 -16.902 -28.390 1.00 43.21 H new ATOM 0 HD11 LEU A 121 10.722 -17.170 -26.848 1.00 64.23 H new ATOM 0 HD12 LEU A 121 11.246 -16.594 -28.448 1.00 64.23 H new ATOM 0 HD13 LEU A 121 11.148 -15.457 -27.082 1.00 64.23 H new ATOM 0 HD21 LEU A 121 8.498 -16.567 -25.970 1.00 12.12 H new ATOM 0 HD22 LEU A 121 8.835 -14.831 -26.170 1.00 12.12 H new ATOM 0 HD23 LEU A 121 7.396 -15.551 -26.930 1.00 12.12 H new