USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 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 96 ASN : amide:sc= 1.21 K(o=2.2,f=-2.4!) USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 0.986 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= -0.0185 USER MOD Set 2.2: A 99 HIS : no HD1:sc= 0.954 K(o=1.2,f=-6.8!) USER MOD Set 2.3: A 112 SER OG : rot -78:sc= 0.244 USER MOD Set 3.1: A 52 HIS : no HD1:sc= 1.1 K(o=1.5,f=-3!) USER MOD Set 3.2: A 58 THR OG1 : rot 16:sc= 0.351 USER MOD Set 4.1: A 38 THR OG1 : rot 170:sc= 0.366 USER MOD Set 4.2: A 51 GLN : amide:sc= 1.16 K(o=1.5,f=-0.59!) USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.0257 (180deg=-0.209) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.14) USER MOD Single : A 6 TYR OH : rot 177:sc= 0.672 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 13 ASN : amide:sc= -0.0725 K(o=-0.073,f=-0.7) USER MOD Single : A 14 TYR OH : rot -142:sc= 0.422 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -139:sc= -0.262 (180deg=-0.682) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 155:sc= 1.2 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 45 ASN : amide:sc= -0.735 X(o=-0.74,f=-0.42) USER MOD Single : A 48 THR OG1 : rot -100:sc= -2.3! USER MOD Single : A 50 THR OG1 : rot 92:sc= -0.277 USER MOD Single : A 59 THR OG1 : rot -120:sc= -0.302 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 61 ASN : amide:sc= -1.39 K(o=-1.4,f=-6.6!) USER MOD Single : A 62 SER OG : rot 37:sc= 0.157 USER MOD Single : A 64 THR OG1 : rot 0:sc= -0.013 USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.247 (180deg=-0.34) USER MOD Single : A 71 MET CE :methyl -159:sc= -3.35 (180deg=-5.36!) USER MOD Single : A 73 THR OG1 : rot 144:sc= 0.235 USER MOD Single : A 74 MET CE :methyl 133:sc= -0.689 (180deg=-3.45) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= 0.301 (180deg=-0.66!) USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= 1.09 (180deg=-0.0791) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -169:sc= -2.41! (180deg=-2.68) USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= 1.06 (180deg=-0.525!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.037) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -136:sc= 1.22 (180deg=-0.581) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 114 SER OG : rot -108:sc= -0.341 USER MOD Single : A 119 TYR OH : rot -22:sc= 2.02 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -144:sc= 2.46 (180deg=-0.639) USER MOD Single : A 125 LYS NZ :NH3+ -161:sc= 0.427 (180deg=-0.563!) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO O7 : rot -49:sc= -4.87! USER MOD Single : A 200 CHO OT2 : rot 165:sc= 0 USER MOD Single : A 201 CHO O3 : rot 130:sc= 1.56 USER MOD Single : A 201 CHO O7 : rot -150:sc= -3.86! USER MOD Single : A 201 CHO OT2 : rot -140:sc= -0.427 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.146 -7.488 -4.852 1.00 1.11 N ATOM 2 CA ALA A 1 -13.327 -8.653 -4.454 1.00 0.53 C ATOM 3 C ALA A 1 -12.063 -8.209 -3.724 1.00 0.42 C ATOM 4 O ALA A 1 -11.046 -8.898 -3.771 1.00 0.51 O ATOM 5 CB ALA A 1 -12.968 -9.474 -5.683 1.00 1.00 C ATOM 0 H1 ALA A 1 -14.886 -7.794 -5.516 1.00 1.11 H new ATOM 0 H2 ALA A 1 -14.589 -7.070 -4.009 1.00 1.11 H new ATOM 0 H3 ALA A 1 -13.540 -6.779 -5.312 1.00 1.11 H new ATOM 0 HA ALA A 1 -13.911 -9.269 -3.770 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -12.365 -10.331 -5.384 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -13.880 -9.823 -6.166 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -12.401 -8.857 -6.380 1.00 1.00 H new ATOM 11 N PHE A 2 -12.135 -7.069 -3.041 1.00 0.35 N ATOM 12 CA PHE A 2 -10.986 -6.537 -2.315 1.00 0.27 C ATOM 13 C PHE A 2 -10.742 -7.303 -1.020 1.00 0.23 C ATOM 14 O PHE A 2 -9.607 -7.406 -0.564 1.00 0.25 O ATOM 15 CB PHE A 2 -11.187 -5.053 -2.001 1.00 0.33 C ATOM 16 CG PHE A 2 -10.848 -4.138 -3.142 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.548 -4.049 -3.610 1.00 1.24 C ATOM 18 CD2 PHE A 2 -11.826 -3.362 -3.744 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.230 -3.205 -4.657 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.512 -2.516 -4.791 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.213 -2.439 -5.248 1.00 0.36 C ATOM 0 H PHE A 2 -12.977 -6.497 -2.975 1.00 0.35 H new ATOM 0 HA PHE A 2 -10.113 -6.655 -2.957 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.226 -4.890 -1.714 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.573 -4.787 -1.140 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.774 -4.646 -3.152 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -12.845 -3.419 -3.391 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.212 -3.145 -5.012 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.283 -1.916 -5.251 1.00 1.23 H new ATOM 0 HZ PHE A 2 -9.966 -1.780 -6.067 1.00 0.36 H new ATOM 31 N THR A 3 -11.807 -7.829 -0.434 1.00 0.20 N ATOM 32 CA THR A 3 -11.717 -8.575 0.810 1.00 0.19 C ATOM 33 C THR A 3 -10.805 -9.794 0.691 1.00 0.19 C ATOM 34 O THR A 3 -10.775 -10.472 -0.343 1.00 0.26 O ATOM 35 CB THR A 3 -13.108 -9.042 1.254 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.091 -8.090 0.826 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.149 -9.205 2.764 1.00 0.26 C ATOM 0 H THR A 3 -12.753 -7.751 -0.806 1.00 0.20 H new ATOM 0 HA THR A 3 -11.290 -7.898 1.550 1.00 0.19 H new ATOM 0 HB THR A 3 -13.326 -10.008 0.799 1.00 0.21 H new ATOM 0 HG1 THR A 3 -14.981 -8.389 1.108 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.142 -9.537 3.067 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.410 -9.945 3.070 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.925 -8.250 3.239 1.00 0.26 H new ATOM 45 N GLY A 4 -10.069 -10.068 1.757 1.00 0.19 N ATOM 46 CA GLY A 4 -9.174 -11.197 1.764 1.00 0.21 C ATOM 47 C GLY A 4 -7.775 -10.816 2.183 1.00 0.19 C ATOM 48 O GLY A 4 -7.482 -9.639 2.397 1.00 0.21 O ATOM 0 H GLY A 4 -10.079 -9.524 2.619 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.559 -11.959 2.442 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.145 -11.641 0.769 1.00 0.21 H new ATOM 52 N LYS A 5 -6.923 -11.812 2.328 1.00 0.20 N ATOM 53 CA LYS A 5 -5.539 -11.577 2.701 1.00 0.20 C ATOM 54 C LYS A 5 -4.684 -11.544 1.436 1.00 0.18 C ATOM 55 O LYS A 5 -4.968 -12.256 0.469 1.00 0.19 O ATOM 56 CB LYS A 5 -5.038 -12.647 3.684 1.00 0.23 C ATOM 57 CG LYS A 5 -4.193 -13.745 3.051 1.00 0.28 C ATOM 58 CD LYS A 5 -4.051 -14.949 3.966 1.00 0.31 C ATOM 59 CE LYS A 5 -3.117 -14.673 5.135 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.819 -15.382 4.984 1.00 1.54 N ATOM 0 H LYS A 5 -7.164 -12.794 2.193 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.462 -10.617 3.212 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.452 -12.160 4.463 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.899 -13.105 4.172 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.647 -14.056 2.110 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.205 -13.351 2.813 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.032 -15.233 4.346 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.674 -15.796 3.393 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.938 -13.600 5.212 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.595 -14.984 6.064 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.179 -15.103 5.755 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -1.978 -16.409 5.021 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.390 -15.131 4.070 1.00 1.54 H new ATOM 74 N TYR A 6 -3.664 -10.710 1.426 1.00 0.19 N ATOM 75 CA TYR A 6 -2.800 -10.598 0.267 1.00 0.19 C ATOM 76 C TYR A 6 -1.352 -10.772 0.671 1.00 0.19 C ATOM 77 O TYR A 6 -0.950 -10.363 1.760 1.00 0.23 O ATOM 78 CB TYR A 6 -2.979 -9.242 -0.413 1.00 0.22 C ATOM 79 CG TYR A 6 -4.352 -9.032 -1.005 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.665 -9.529 -2.260 1.00 1.25 C ATOM 81 CD2 TYR A 6 -5.335 -8.342 -0.308 1.00 1.14 C ATOM 82 CE1 TYR A 6 -5.918 -9.343 -2.808 1.00 1.29 C ATOM 83 CE2 TYR A 6 -6.590 -8.156 -0.848 1.00 1.13 C ATOM 84 CZ TYR A 6 -6.877 -8.657 -2.095 1.00 0.35 C ATOM 85 OH TYR A 6 -8.125 -8.470 -2.632 1.00 0.44 O ATOM 0 H TYR A 6 -3.413 -10.101 2.205 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.076 -11.385 -0.435 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.783 -8.453 0.313 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.234 -9.141 -1.202 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -3.916 -10.071 -2.819 1.00 1.25 H new ATOM 0 HD2 TYR A 6 -5.113 -7.945 0.672 1.00 1.14 H new ATOM 0 HE1 TYR A 6 -6.145 -9.733 -3.789 1.00 1.29 H new ATOM 0 HE2 TYR A 6 -7.345 -7.619 -0.293 1.00 1.13 H new ATOM 0 HH TYR A 6 -8.696 -8.010 -1.981 1.00 0.44 H new ATOM 95 N GLU A 7 -0.579 -11.378 -0.210 1.00 0.19 N ATOM 96 CA GLU A 7 0.833 -11.612 0.032 1.00 0.21 C ATOM 97 C GLU A 7 1.631 -11.241 -1.212 1.00 0.19 C ATOM 98 O GLU A 7 1.083 -11.238 -2.320 1.00 0.22 O ATOM 99 CB GLU A 7 1.069 -13.075 0.415 1.00 0.26 C ATOM 100 CG GLU A 7 0.703 -13.383 1.857 1.00 0.33 C ATOM 101 CD GLU A 7 0.640 -14.866 2.151 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.523 -15.615 1.680 1.00 1.41 O ATOM 103 OE2 GLU A 7 -0.291 -15.291 2.867 1.00 1.20 O ATOM 0 H GLU A 7 -0.910 -11.721 -1.111 1.00 0.19 H new ATOM 0 HA GLU A 7 1.167 -10.988 0.861 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.485 -13.716 -0.246 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.118 -13.322 0.253 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.435 -12.919 2.518 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.263 -12.932 2.084 1.00 0.33 H new ATOM 110 N PHE A 8 2.909 -10.927 -1.020 1.00 0.23 N ATOM 111 CA PHE A 8 3.790 -10.537 -2.118 1.00 0.25 C ATOM 112 C PHE A 8 3.696 -11.519 -3.283 1.00 0.24 C ATOM 113 O PHE A 8 3.780 -12.735 -3.101 1.00 0.33 O ATOM 114 CB PHE A 8 5.241 -10.443 -1.633 1.00 0.33 C ATOM 115 CG PHE A 8 6.063 -9.429 -2.382 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.387 -9.624 -3.717 1.00 1.55 C ATOM 117 CD2 PHE A 8 6.509 -8.277 -1.752 1.00 1.32 C ATOM 118 CE1 PHE A 8 7.143 -8.696 -4.406 1.00 1.86 C ATOM 119 CE2 PHE A 8 7.268 -7.345 -2.436 1.00 1.57 C ATOM 120 CZ PHE A 8 7.582 -7.554 -3.764 1.00 1.49 C ATOM 0 H PHE A 8 3.361 -10.935 -0.106 1.00 0.23 H new ATOM 0 HA PHE A 8 3.465 -9.558 -2.470 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.245 -10.190 -0.573 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.711 -11.422 -1.729 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.043 -10.513 -4.224 1.00 1.55 H new ATOM 0 HD2 PHE A 8 6.261 -8.106 -0.715 1.00 1.32 H new ATOM 0 HE1 PHE A 8 7.390 -8.863 -5.444 1.00 1.86 H new ATOM 0 HE2 PHE A 8 7.615 -6.455 -1.932 1.00 1.57 H new ATOM 0 HZ PHE A 8 8.171 -6.825 -4.301 1.00 1.49 H new ATOM 130 N GLU A 9 3.489 -10.981 -4.472 1.00 0.25 N ATOM 131 CA GLU A 9 3.388 -11.788 -5.671 1.00 0.26 C ATOM 132 C GLU A 9 4.363 -11.284 -6.721 1.00 0.28 C ATOM 133 O GLU A 9 5.209 -12.026 -7.222 1.00 0.34 O ATOM 134 CB GLU A 9 1.966 -11.737 -6.228 1.00 0.27 C ATOM 135 CG GLU A 9 1.798 -12.517 -7.512 1.00 0.35 C ATOM 136 CD GLU A 9 1.502 -13.977 -7.258 1.00 0.61 C ATOM 137 OE1 GLU A 9 1.783 -14.462 -6.144 1.00 1.46 O ATOM 138 OE2 GLU A 9 0.986 -14.645 -8.174 1.00 1.19 O ATOM 0 H GLU A 9 3.387 -9.979 -4.631 1.00 0.25 H new ATOM 0 HA GLU A 9 3.633 -12.819 -5.416 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.276 -12.129 -5.480 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.689 -10.697 -6.404 1.00 0.27 H new ATOM 0 HG2 GLU A 9 0.989 -12.080 -8.097 1.00 0.35 H new ATOM 0 HG3 GLU A 9 2.706 -12.431 -8.109 1.00 0.35 H new ATOM 145 N SER A 10 4.237 -10.010 -7.046 1.00 0.26 N ATOM 146 CA SER A 10 5.086 -9.381 -8.040 1.00 0.29 C ATOM 147 C SER A 10 5.296 -7.917 -7.684 1.00 0.27 C ATOM 148 O SER A 10 4.559 -7.365 -6.867 1.00 0.32 O ATOM 149 CB SER A 10 4.459 -9.510 -9.429 1.00 0.34 C ATOM 150 OG SER A 10 4.225 -10.871 -9.758 1.00 1.01 O ATOM 0 H SER A 10 3.546 -9.385 -6.630 1.00 0.26 H new ATOM 0 HA SER A 10 6.054 -9.883 -8.052 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.520 -8.958 -9.460 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.118 -9.061 -10.172 1.00 0.34 H new ATOM 0 HG SER A 10 3.822 -10.927 -10.650 1.00 1.01 H new ATOM 156 N ASP A 11 6.286 -7.294 -8.300 1.00 0.28 N ATOM 157 CA ASP A 11 6.605 -5.897 -8.030 1.00 0.28 C ATOM 158 C ASP A 11 7.278 -5.288 -9.248 1.00 0.28 C ATOM 159 O ASP A 11 7.853 -6.014 -10.065 1.00 0.34 O ATOM 160 CB ASP A 11 7.530 -5.802 -6.817 1.00 0.32 C ATOM 161 CG ASP A 11 7.662 -4.399 -6.269 1.00 0.97 C ATOM 162 OD1 ASP A 11 8.483 -3.631 -6.812 1.00 1.72 O ATOM 163 OD2 ASP A 11 6.958 -4.072 -5.288 1.00 1.71 O ATOM 0 H ASP A 11 6.888 -7.735 -8.996 1.00 0.28 H new ATOM 0 HA ASP A 11 5.687 -5.349 -7.816 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.154 -6.457 -6.031 1.00 0.32 H new ATOM 0 HB3 ASP A 11 8.518 -6.170 -7.093 1.00 0.32 H new ATOM 168 N GLU A 12 7.198 -3.977 -9.385 1.00 0.26 N ATOM 169 CA GLU A 12 7.803 -3.298 -10.515 1.00 0.27 C ATOM 170 C GLU A 12 8.205 -1.875 -10.161 1.00 0.25 C ATOM 171 O GLU A 12 7.436 -1.126 -9.551 1.00 0.26 O ATOM 172 CB GLU A 12 6.833 -3.294 -11.693 1.00 0.32 C ATOM 173 CG GLU A 12 7.305 -2.475 -12.885 1.00 0.38 C ATOM 174 CD GLU A 12 6.261 -2.362 -13.976 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.343 -3.211 -14.023 1.00 1.00 O ATOM 176 OE2 GLU A 12 6.352 -1.426 -14.798 1.00 1.44 O ATOM 0 H GLU A 12 6.720 -3.361 -8.727 1.00 0.26 H new ATOM 0 HA GLU A 12 8.709 -3.838 -10.791 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.666 -4.322 -12.015 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.872 -2.905 -11.357 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.579 -1.476 -12.547 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.206 -2.930 -13.297 1.00 0.38 H new ATOM 183 N ASN A 13 9.416 -1.521 -10.570 1.00 0.25 N ATOM 184 CA ASN A 13 9.990 -0.191 -10.344 1.00 0.25 C ATOM 185 C ASN A 13 10.110 0.136 -8.852 1.00 0.23 C ATOM 186 O ASN A 13 9.847 1.262 -8.435 1.00 0.30 O ATOM 187 CB ASN A 13 9.144 0.878 -11.046 1.00 0.29 C ATOM 188 CG ASN A 13 9.975 1.844 -11.868 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.949 1.454 -12.510 1.00 0.51 O ATOM 190 ND2 ASN A 13 9.588 3.110 -11.859 1.00 0.84 N ATOM 0 H ASN A 13 10.038 -2.153 -11.074 1.00 0.25 H new ATOM 0 HA ASN A 13 10.996 -0.195 -10.765 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.416 0.390 -11.695 1.00 0.29 H new ATOM 0 HB3 ASN A 13 8.581 1.437 -10.299 1.00 0.29 H new ATOM 0 HD21 ASN A 13 10.104 3.805 -12.399 1.00 0.84 H new ATOM 0 HD22 ASN A 13 8.774 3.391 -11.312 1.00 0.84 H new ATOM 197 N TYR A 14 10.534 -0.844 -8.064 1.00 0.23 N ATOM 198 CA TYR A 14 10.681 -0.660 -6.622 1.00 0.25 C ATOM 199 C TYR A 14 11.838 0.279 -6.294 1.00 0.23 C ATOM 200 O TYR A 14 11.644 1.322 -5.665 1.00 0.22 O ATOM 201 CB TYR A 14 10.904 -2.012 -5.932 1.00 0.32 C ATOM 202 CG TYR A 14 10.787 -1.971 -4.418 1.00 0.44 C ATOM 203 CD1 TYR A 14 11.796 -1.420 -3.635 1.00 1.28 C ATOM 204 CD2 TYR A 14 9.670 -2.492 -3.774 1.00 1.30 C ATOM 205 CE1 TYR A 14 11.693 -1.384 -2.260 1.00 1.39 C ATOM 206 CE2 TYR A 14 9.563 -2.458 -2.393 1.00 1.36 C ATOM 207 CZ TYR A 14 10.577 -1.901 -1.644 1.00 0.78 C ATOM 208 OH TYR A 14 10.469 -1.857 -0.273 1.00 0.98 O ATOM 0 H TYR A 14 10.783 -1.775 -8.397 1.00 0.23 H new ATOM 0 HA TYR A 14 9.759 -0.210 -6.252 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.180 -2.728 -6.321 1.00 0.32 H new ATOM 0 HB3 TYR A 14 11.894 -2.383 -6.198 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.675 -1.013 -4.112 1.00 1.28 H new ATOM 0 HD2 TYR A 14 8.874 -2.929 -4.359 1.00 1.30 H new ATOM 0 HE1 TYR A 14 12.486 -0.951 -1.669 1.00 1.39 H new ATOM 0 HE2 TYR A 14 8.690 -2.866 -1.906 1.00 1.36 H new ATOM 0 HH TYR A 14 10.053 -2.684 0.049 1.00 0.98 H new ATOM 218 N ASP A 15 13.037 -0.092 -6.730 1.00 0.25 N ATOM 219 CA ASP A 15 14.236 0.694 -6.455 1.00 0.26 C ATOM 220 C ASP A 15 14.103 2.117 -6.983 1.00 0.25 C ATOM 221 O ASP A 15 14.406 3.073 -6.279 1.00 0.26 O ATOM 222 CB ASP A 15 15.467 0.030 -7.065 1.00 0.33 C ATOM 223 CG ASP A 15 15.632 -1.413 -6.627 1.00 0.50 C ATOM 224 OD1 ASP A 15 14.974 -2.300 -7.214 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.420 -1.669 -5.692 1.00 1.30 O ATOM 0 H ASP A 15 13.205 -0.936 -7.278 1.00 0.25 H new ATOM 0 HA ASP A 15 14.354 0.740 -5.372 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.395 0.069 -8.152 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.356 0.595 -6.784 1.00 0.33 H new ATOM 230 N ASP A 16 13.634 2.248 -8.214 1.00 0.25 N ATOM 231 CA ASP A 16 13.456 3.561 -8.831 1.00 0.26 C ATOM 232 C ASP A 16 12.564 4.448 -7.974 1.00 0.25 C ATOM 233 O ASP A 16 12.840 5.632 -7.776 1.00 0.29 O ATOM 234 CB ASP A 16 12.826 3.414 -10.213 1.00 0.29 C ATOM 235 CG ASP A 16 13.853 3.367 -11.323 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.410 4.430 -11.668 1.00 1.46 O ATOM 237 OD2 ASP A 16 14.098 2.272 -11.864 1.00 1.20 O ATOM 0 H ASP A 16 13.369 1.463 -8.809 1.00 0.25 H new ATOM 0 HA ASP A 16 14.439 4.023 -8.920 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.227 2.504 -10.239 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.146 4.248 -10.388 1.00 0.29 H new ATOM 242 N PHE A 17 11.504 3.849 -7.461 1.00 0.21 N ATOM 243 CA PHE A 17 10.541 4.542 -6.623 1.00 0.21 C ATOM 244 C PHE A 17 11.164 4.974 -5.302 1.00 0.20 C ATOM 245 O PHE A 17 11.171 6.158 -4.961 1.00 0.23 O ATOM 246 CB PHE A 17 9.356 3.618 -6.356 1.00 0.21 C ATOM 247 CG PHE A 17 8.309 4.197 -5.450 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.542 5.279 -5.853 1.00 1.22 C ATOM 249 CD2 PHE A 17 8.084 3.644 -4.201 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.571 5.797 -5.021 1.00 1.24 C ATOM 251 CE2 PHE A 17 7.117 4.161 -3.364 1.00 1.19 C ATOM 252 CZ PHE A 17 6.357 5.239 -3.775 1.00 0.38 C ATOM 0 H PHE A 17 11.286 2.864 -7.614 1.00 0.21 H new ATOM 0 HA PHE A 17 10.209 5.439 -7.146 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.892 3.358 -7.308 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.726 2.691 -5.918 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.706 5.720 -6.825 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.672 2.798 -3.878 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.977 6.640 -5.344 1.00 1.24 H new ATOM 0 HE2 PHE A 17 6.954 3.724 -2.390 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.597 5.645 -3.124 1.00 0.38 H new ATOM 262 N VAL A 18 11.704 4.004 -4.576 1.00 0.19 N ATOM 263 CA VAL A 18 12.308 4.257 -3.273 1.00 0.21 C ATOM 264 C VAL A 18 13.486 5.227 -3.355 1.00 0.23 C ATOM 265 O VAL A 18 13.700 6.026 -2.443 1.00 0.26 O ATOM 266 CB VAL A 18 12.751 2.947 -2.596 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.546 2.055 -2.353 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.790 2.219 -3.428 1.00 0.23 C ATOM 0 H VAL A 18 11.736 3.028 -4.870 1.00 0.19 H new ATOM 0 HA VAL A 18 11.534 4.725 -2.664 1.00 0.21 H new ATOM 0 HB VAL A 18 13.209 3.197 -1.639 1.00 0.23 H new ATOM 0 HG11 VAL A 18 11.868 1.131 -1.874 1.00 0.25 H new ATOM 0 HG12 VAL A 18 10.836 2.571 -1.706 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.067 1.823 -3.304 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.081 1.299 -2.922 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.371 1.979 -4.405 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.665 2.856 -3.555 1.00 0.23 H new ATOM 278 N LYS A 19 14.239 5.167 -4.447 1.00 0.24 N ATOM 279 CA LYS A 19 15.379 6.050 -4.624 1.00 0.29 C ATOM 280 C LYS A 19 14.926 7.483 -4.884 1.00 0.30 C ATOM 281 O LYS A 19 15.640 8.435 -4.567 1.00 0.34 O ATOM 282 CB LYS A 19 16.253 5.557 -5.773 1.00 0.33 C ATOM 283 CG LYS A 19 17.047 4.311 -5.424 1.00 0.41 C ATOM 284 CD LYS A 19 18.181 4.622 -4.464 1.00 0.54 C ATOM 285 CE LYS A 19 18.463 3.450 -3.538 1.00 0.87 C ATOM 286 NZ LYS A 19 19.669 3.681 -2.703 1.00 1.18 N ATOM 0 H LYS A 19 14.080 4.519 -5.218 1.00 0.24 H new ATOM 0 HA LYS A 19 15.963 6.040 -3.704 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.623 5.349 -6.638 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.942 6.350 -6.064 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.384 3.570 -4.977 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.451 3.869 -6.335 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.081 4.866 -5.029 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.928 5.502 -3.873 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.601 3.282 -2.892 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.599 2.545 -4.130 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.827 2.859 -2.086 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.497 3.816 -3.318 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.530 4.530 -2.119 1.00 1.18 H new ATOM 300 N LYS A 20 13.738 7.630 -5.457 1.00 0.29 N ATOM 301 CA LYS A 20 13.199 8.947 -5.769 1.00 0.32 C ATOM 302 C LYS A 20 12.564 9.606 -4.546 1.00 0.31 C ATOM 303 O LYS A 20 12.713 10.810 -4.339 1.00 0.36 O ATOM 304 CB LYS A 20 12.169 8.849 -6.900 1.00 0.35 C ATOM 305 CG LYS A 20 11.511 10.175 -7.253 1.00 0.58 C ATOM 306 CD LYS A 20 12.507 11.154 -7.857 1.00 0.73 C ATOM 307 CE LYS A 20 12.300 11.310 -9.354 1.00 0.71 C ATOM 308 NZ LYS A 20 13.084 10.320 -10.138 1.00 0.88 N ATOM 0 H LYS A 20 13.130 6.853 -5.715 1.00 0.29 H new ATOM 0 HA LYS A 20 14.033 9.571 -6.091 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.657 8.449 -7.789 1.00 0.35 H new ATOM 0 HB3 LYS A 20 11.396 8.136 -6.613 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.698 10.002 -7.958 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.069 10.612 -6.358 1.00 0.58 H new ATOM 0 HD2 LYS A 20 12.404 12.125 -7.372 1.00 0.73 H new ATOM 0 HD3 LYS A 20 13.522 10.807 -7.664 1.00 0.73 H new ATOM 0 HE2 LYS A 20 11.241 11.197 -9.586 1.00 0.71 H new ATOM 0 HE3 LYS A 20 12.587 12.318 -9.655 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.911 10.465 -11.153 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 14.097 10.443 -9.939 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.793 9.358 -9.872 1.00 0.88 H new ATOM 322 N ILE A 21 11.863 8.826 -3.736 1.00 0.28 N ATOM 323 CA ILE A 21 11.206 9.376 -2.554 1.00 0.30 C ATOM 324 C ILE A 21 12.192 9.561 -1.405 1.00 0.32 C ATOM 325 O ILE A 21 11.850 10.106 -0.358 1.00 0.39 O ATOM 326 CB ILE A 21 10.026 8.498 -2.090 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.511 7.082 -1.772 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.939 8.474 -3.159 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.618 6.332 -0.809 1.00 0.30 C ATOM 0 H ILE A 21 11.734 7.823 -3.870 1.00 0.28 H new ATOM 0 HA ILE A 21 10.814 10.351 -2.843 1.00 0.30 H new ATOM 0 HB ILE A 21 9.603 8.924 -1.180 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.584 6.516 -2.701 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.516 7.138 -1.353 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.110 7.851 -2.821 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.582 9.488 -3.337 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.347 8.065 -4.084 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.027 5.337 -0.633 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.564 6.874 0.135 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.618 6.243 -1.234 1.00 0.30 H new ATOM 341 N GLY A 22 13.414 9.092 -1.608 1.00 0.31 N ATOM 342 CA GLY A 22 14.445 9.236 -0.601 1.00 0.36 C ATOM 343 C GLY A 22 14.316 8.248 0.541 1.00 0.34 C ATOM 344 O GLY A 22 14.591 8.588 1.692 1.00 0.39 O ATOM 0 H GLY A 22 13.711 8.612 -2.457 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.421 9.111 -1.071 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.412 10.249 -0.200 1.00 0.36 H new ATOM 348 N LEU A 23 13.886 7.034 0.234 1.00 0.28 N ATOM 349 CA LEU A 23 13.754 6.002 1.246 1.00 0.27 C ATOM 350 C LEU A 23 15.140 5.553 1.688 1.00 0.28 C ATOM 351 O LEU A 23 16.020 5.343 0.853 1.00 0.28 O ATOM 352 CB LEU A 23 12.969 4.808 0.687 1.00 0.24 C ATOM 353 CG LEU A 23 12.495 3.777 1.721 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.492 4.385 2.684 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.889 2.574 1.018 1.00 0.25 C ATOM 0 H LEU A 23 13.623 6.741 -0.707 1.00 0.28 H new ATOM 0 HA LEU A 23 13.211 6.404 2.101 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.097 5.188 0.155 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.593 4.298 -0.047 1.00 0.24 H new ATOM 0 HG LEU A 23 13.361 3.454 2.299 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.175 3.630 3.404 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.954 5.219 3.212 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.625 4.743 2.129 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.556 1.849 1.760 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.038 2.894 0.417 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.637 2.115 0.372 1.00 0.25 H new ATOM 367 N PRO A 24 15.381 5.452 2.998 1.00 0.30 N ATOM 368 CA PRO A 24 16.673 5.006 3.515 1.00 0.32 C ATOM 369 C PRO A 24 16.946 3.557 3.138 1.00 0.30 C ATOM 370 O PRO A 24 16.049 2.713 3.204 1.00 0.28 O ATOM 371 CB PRO A 24 16.531 5.148 5.030 1.00 0.37 C ATOM 372 CG PRO A 24 15.069 5.152 5.287 1.00 0.36 C ATOM 373 CD PRO A 24 14.434 5.776 4.078 1.00 0.33 C ATOM 0 HA PRO A 24 17.504 5.583 3.109 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.020 4.324 5.550 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.995 6.068 5.384 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.698 4.139 5.443 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.833 5.719 6.187 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.444 5.362 3.884 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.312 6.853 4.197 1.00 0.33 H new ATOM 381 N ALA A 25 18.183 3.277 2.757 1.00 0.32 N ATOM 382 CA ALA A 25 18.594 1.932 2.356 1.00 0.34 C ATOM 383 C ALA A 25 18.286 0.910 3.443 1.00 0.35 C ATOM 384 O ALA A 25 17.967 -0.243 3.155 1.00 0.36 O ATOM 385 CB ALA A 25 20.078 1.916 2.022 1.00 0.39 C ATOM 0 H ALA A 25 18.931 3.970 2.716 1.00 0.32 H new ATOM 0 HA ALA A 25 18.025 1.657 1.468 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.373 0.910 1.725 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.274 2.608 1.203 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.651 2.218 2.898 1.00 0.39 H new ATOM 391 N ASP A 26 18.366 1.361 4.689 1.00 0.37 N ATOM 392 CA ASP A 26 18.101 0.523 5.850 1.00 0.40 C ATOM 393 C ASP A 26 16.705 -0.075 5.766 1.00 0.38 C ATOM 394 O ASP A 26 16.504 -1.251 6.059 1.00 0.42 O ATOM 395 CB ASP A 26 18.222 1.347 7.139 1.00 0.46 C ATOM 396 CG ASP A 26 19.274 2.438 7.050 1.00 1.27 C ATOM 397 OD1 ASP A 26 19.027 3.455 6.364 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.350 2.289 7.662 1.00 2.03 O ATOM 0 H ASP A 26 18.617 2.322 4.922 1.00 0.37 H new ATOM 0 HA ASP A 26 18.836 -0.282 5.864 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.257 1.799 7.367 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.466 0.682 7.967 1.00 0.46 H new ATOM 403 N LYS A 27 15.746 0.743 5.347 1.00 0.35 N ATOM 404 CA LYS A 27 14.367 0.304 5.229 1.00 0.36 C ATOM 405 C LYS A 27 14.117 -0.296 3.853 1.00 0.32 C ATOM 406 O LYS A 27 13.287 -1.188 3.707 1.00 0.33 O ATOM 407 CB LYS A 27 13.407 1.468 5.476 1.00 0.39 C ATOM 408 CG LYS A 27 13.607 2.160 6.818 1.00 0.41 C ATOM 409 CD LYS A 27 13.185 1.273 7.982 1.00 0.48 C ATOM 410 CE LYS A 27 13.493 1.930 9.321 1.00 0.72 C ATOM 411 NZ LYS A 27 12.780 1.276 10.453 1.00 0.94 N ATOM 0 H LYS A 27 15.902 1.716 5.083 1.00 0.35 H new ATOM 0 HA LYS A 27 14.187 -0.461 5.985 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.528 2.201 4.679 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.383 1.100 5.417 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.656 2.435 6.932 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.031 3.085 6.839 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.117 1.065 7.914 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.701 0.315 7.918 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.567 1.893 9.502 1.00 0.72 H new ATOM 0 HE3 LYS A 27 13.213 2.983 9.279 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 13.022 1.759 11.341 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 11.753 1.334 10.296 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.066 0.278 10.513 1.00 0.94 H new ATOM 425 N ILE A 28 14.836 0.200 2.849 1.00 0.30 N ATOM 426 CA ILE A 28 14.689 -0.299 1.489 1.00 0.29 C ATOM 427 C ILE A 28 15.010 -1.793 1.437 1.00 0.34 C ATOM 428 O ILE A 28 14.171 -2.608 1.055 1.00 0.37 O ATOM 429 CB ILE A 28 15.617 0.437 0.496 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.149 1.869 0.264 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.687 -0.315 -0.825 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.042 2.655 -0.672 1.00 0.26 C ATOM 0 H ILE A 28 15.524 0.945 2.954 1.00 0.30 H new ATOM 0 HA ILE A 28 13.654 -0.119 1.197 1.00 0.29 H new ATOM 0 HB ILE A 28 16.615 0.473 0.934 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.138 1.850 -0.142 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.098 2.385 1.223 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.345 0.217 -1.512 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.078 -1.318 -0.652 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.689 -0.384 -1.258 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.647 3.664 -0.790 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.049 2.705 -0.258 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.074 2.162 -1.644 1.00 0.26 H new ATOM 444 N GLU A 29 16.229 -2.140 1.855 1.00 0.37 N ATOM 445 CA GLU A 29 16.688 -3.529 1.853 1.00 0.44 C ATOM 446 C GLU A 29 15.899 -4.359 2.859 1.00 0.43 C ATOM 447 O GLU A 29 15.873 -5.588 2.794 1.00 0.47 O ATOM 448 CB GLU A 29 18.184 -3.611 2.185 1.00 0.52 C ATOM 449 CG GLU A 29 19.061 -2.701 1.337 1.00 0.55 C ATOM 450 CD GLU A 29 18.935 -2.978 -0.146 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.219 -4.116 -0.573 1.00 1.41 O ATOM 452 OE2 GLU A 29 18.548 -2.057 -0.897 1.00 1.73 O ATOM 0 H GLU A 29 16.919 -1.473 2.201 1.00 0.37 H new ATOM 0 HA GLU A 29 16.524 -3.930 0.853 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.326 -3.358 3.236 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.517 -4.641 2.057 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.794 -1.662 1.532 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.101 -2.824 1.638 1.00 0.55 H new ATOM 459 N MET A 30 15.252 -3.674 3.788 1.00 0.41 N ATOM 460 CA MET A 30 14.466 -4.328 4.819 1.00 0.43 C ATOM 461 C MET A 30 13.053 -4.632 4.328 1.00 0.40 C ATOM 462 O MET A 30 12.436 -5.596 4.766 1.00 0.41 O ATOM 463 CB MET A 30 14.406 -3.441 6.067 1.00 0.45 C ATOM 464 CG MET A 30 13.754 -4.097 7.269 1.00 0.46 C ATOM 465 SD MET A 30 14.711 -5.477 7.921 1.00 0.63 S ATOM 466 CE MET A 30 13.711 -6.860 7.376 1.00 0.97 C ATOM 0 H MET A 30 15.257 -2.656 3.848 1.00 0.41 H new ATOM 0 HA MET A 30 14.948 -5.274 5.066 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.420 -3.143 6.336 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.860 -2.529 5.825 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.619 -3.353 8.054 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.761 -4.450 6.990 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.657 -7.605 8.170 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.706 -6.511 7.137 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.160 -7.307 6.489 1.00 0.97 H new ATOM 476 N GLY A 31 12.545 -3.814 3.417 1.00 0.39 N ATOM 477 CA GLY A 31 11.199 -4.020 2.915 1.00 0.39 C ATOM 478 C GLY A 31 11.148 -4.444 1.463 1.00 0.43 C ATOM 479 O GLY A 31 10.131 -4.260 0.798 1.00 0.51 O ATOM 0 H GLY A 31 13.037 -3.015 3.017 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.706 -4.779 3.523 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.631 -3.097 3.035 1.00 0.39 H new ATOM 483 N ARG A 32 12.226 -5.029 0.970 1.00 0.43 N ATOM 484 CA ARG A 32 12.278 -5.462 -0.418 1.00 0.50 C ATOM 485 C ARG A 32 12.147 -6.975 -0.509 1.00 0.44 C ATOM 486 O ARG A 32 12.860 -7.713 0.175 1.00 0.49 O ATOM 487 CB ARG A 32 13.569 -4.995 -1.102 1.00 0.60 C ATOM 488 CG ARG A 32 14.835 -5.554 -0.477 1.00 0.78 C ATOM 489 CD ARG A 32 16.009 -5.504 -1.444 1.00 0.71 C ATOM 490 NE ARG A 32 16.441 -4.143 -1.756 1.00 1.31 N ATOM 491 CZ ARG A 32 16.347 -3.577 -2.962 1.00 1.49 C ATOM 492 NH1 ARG A 32 15.749 -4.212 -3.965 1.00 1.65 N ATOM 493 NH2 ARG A 32 16.862 -2.375 -3.165 1.00 2.27 N ATOM 0 H ARG A 32 13.074 -5.215 1.506 1.00 0.43 H new ATOM 0 HA ARG A 32 11.438 -5.004 -0.941 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.536 -5.284 -2.153 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.611 -3.906 -1.072 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.079 -4.987 0.421 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.663 -6.584 -0.166 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.847 -6.055 -1.017 1.00 0.71 H new ATOM 0 HD3 ARG A 32 15.732 -6.011 -2.368 1.00 0.71 H new ATOM 0 HE ARG A 32 16.842 -3.587 -1.001 1.00 1.31 H new ATOM 0 HH11 ARG A 32 15.356 -5.142 -3.818 1.00 1.65 H new ATOM 0 HH12 ARG A 32 15.683 -3.770 -4.882 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.329 -1.885 -2.402 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.792 -1.939 -4.085 1.00 2.27 H new ATOM 507 N ASN A 33 11.204 -7.421 -1.335 1.00 0.53 N ATOM 508 CA ASN A 33 10.948 -8.847 -1.547 1.00 0.67 C ATOM 509 C ASN A 33 10.572 -9.548 -0.246 1.00 0.59 C ATOM 510 O ASN A 33 10.726 -10.765 -0.111 1.00 0.69 O ATOM 511 CB ASN A 33 12.160 -9.530 -2.181 1.00 0.80 C ATOM 512 CG ASN A 33 11.895 -9.940 -3.615 1.00 1.23 C ATOM 513 OD1 ASN A 33 11.429 -11.050 -3.878 1.00 1.72 O ATOM 514 ND2 ASN A 33 12.184 -9.049 -4.554 1.00 1.78 N ATOM 0 H ASN A 33 10.596 -6.807 -1.876 1.00 0.53 H new ATOM 0 HA ASN A 33 10.103 -8.926 -2.231 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.015 -8.854 -2.149 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.427 -10.410 -1.596 1.00 0.80 H new ATOM 0 HD21 ASN A 33 12.022 -9.272 -5.536 1.00 1.78 H new ATOM 0 HD22 ASN A 33 12.569 -8.141 -4.294 1.00 1.78 H new ATOM 521 N CYS A 34 10.071 -8.780 0.705 1.00 0.47 N ATOM 522 CA CYS A 34 9.669 -9.330 1.983 1.00 0.41 C ATOM 523 C CYS A 34 8.205 -9.753 1.931 1.00 0.41 C ATOM 524 O CYS A 34 7.426 -9.214 1.145 1.00 0.48 O ATOM 525 CB CYS A 34 9.914 -8.306 3.089 1.00 0.38 C ATOM 526 SG CYS A 34 11.663 -8.054 3.449 1.00 1.16 S ATOM 0 H CYS A 34 9.934 -7.773 0.614 1.00 0.47 H new ATOM 0 HA CYS A 34 10.267 -10.215 2.203 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.469 -7.354 2.799 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.406 -8.632 3.997 1.00 0.38 H new ATOM 0 HG CYS A 34 11.835 -6.870 3.958 1.00 1.16 H new ATOM 532 N LYS A 35 7.834 -10.720 2.758 1.00 0.39 N ATOM 533 CA LYS A 35 6.462 -11.213 2.765 1.00 0.42 C ATOM 534 C LYS A 35 5.555 -10.372 3.655 1.00 0.38 C ATOM 535 O LYS A 35 5.465 -10.588 4.867 1.00 0.40 O ATOM 536 CB LYS A 35 6.396 -12.682 3.181 1.00 0.47 C ATOM 537 CG LYS A 35 7.293 -13.058 4.346 1.00 0.48 C ATOM 538 CD LYS A 35 7.324 -14.561 4.520 1.00 1.13 C ATOM 539 CE LYS A 35 8.241 -14.960 5.653 1.00 1.64 C ATOM 540 NZ LYS A 35 8.319 -16.434 5.819 1.00 2.49 N ATOM 0 H LYS A 35 8.455 -11.175 3.427 1.00 0.39 H new ATOM 0 HA LYS A 35 6.098 -11.127 1.741 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.366 -12.925 3.442 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.662 -13.300 2.323 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.302 -12.684 4.173 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.931 -12.587 5.260 1.00 0.48 H new ATOM 0 HD2 LYS A 35 6.317 -14.928 4.717 1.00 1.13 H new ATOM 0 HD3 LYS A 35 7.659 -15.030 3.595 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.239 -14.564 5.467 1.00 1.64 H new ATOM 0 HE3 LYS A 35 7.887 -14.510 6.580 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 8.959 -16.661 6.607 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 7.371 -16.811 6.023 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 8.682 -16.863 4.944 1.00 2.49 H new ATOM 554 N ILE A 36 4.900 -9.399 3.048 1.00 0.36 N ATOM 555 CA ILE A 36 3.981 -8.534 3.763 1.00 0.34 C ATOM 556 C ILE A 36 2.553 -8.996 3.522 1.00 0.33 C ATOM 557 O ILE A 36 2.100 -9.073 2.378 1.00 0.41 O ATOM 558 CB ILE A 36 4.116 -7.055 3.327 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.415 -6.449 3.848 1.00 0.65 C ATOM 560 CG2 ILE A 36 2.934 -6.236 3.819 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.626 -6.785 3.017 1.00 0.66 C ATOM 0 H ILE A 36 4.989 -9.188 2.054 1.00 0.36 H new ATOM 0 HA ILE A 36 4.229 -8.597 4.823 1.00 0.34 H new ATOM 0 HB ILE A 36 4.131 -7.033 2.237 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.306 -5.365 3.891 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.581 -6.794 4.869 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.051 -5.200 3.500 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.012 -6.642 3.403 1.00 0.32 H new ATOM 0 HG23 ILE A 36 2.890 -6.278 4.907 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.508 -6.317 3.454 1.00 0.66 H new ATOM 0 HD12 ILE A 36 6.763 -7.866 2.994 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.484 -6.415 2.001 1.00 0.66 H new ATOM 573 N VAL A 37 1.848 -9.302 4.596 1.00 0.29 N ATOM 574 CA VAL A 37 0.477 -9.769 4.489 1.00 0.29 C ATOM 575 C VAL A 37 -0.503 -8.616 4.635 1.00 0.30 C ATOM 576 O VAL A 37 -0.436 -7.857 5.598 1.00 0.37 O ATOM 577 CB VAL A 37 0.156 -10.818 5.570 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.119 -11.571 5.241 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.317 -11.783 5.746 1.00 0.32 C ATOM 0 H VAL A 37 2.201 -9.236 5.551 1.00 0.29 H new ATOM 0 HA VAL A 37 0.374 -10.221 3.502 1.00 0.29 H new ATOM 0 HB VAL A 37 0.002 -10.290 6.511 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.320 -12.305 6.022 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.951 -10.869 5.180 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -1.004 -12.081 4.285 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.068 -12.515 6.514 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.509 -12.297 4.804 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.207 -11.230 6.046 1.00 0.32 H new ATOM 589 N THR A 38 -1.394 -8.480 3.673 1.00 0.25 N ATOM 590 CA THR A 38 -2.397 -7.436 3.715 1.00 0.26 C ATOM 591 C THR A 38 -3.777 -8.043 3.944 1.00 0.24 C ATOM 592 O THR A 38 -4.334 -8.677 3.058 1.00 0.23 O ATOM 593 CB THR A 38 -2.413 -6.612 2.419 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.087 -6.140 2.123 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.373 -5.436 2.536 1.00 0.30 C ATOM 0 H THR A 38 -1.443 -9.082 2.851 1.00 0.25 H new ATOM 0 HA THR A 38 -2.142 -6.771 4.540 1.00 0.26 H new ATOM 0 HB THR A 38 -2.756 -7.253 1.607 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.070 -5.756 1.222 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.367 -4.867 1.606 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.380 -5.806 2.729 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.060 -4.791 3.357 1.00 0.30 H new ATOM 603 N GLU A 39 -4.312 -7.864 5.140 1.00 0.25 N ATOM 604 CA GLU A 39 -5.623 -8.406 5.472 1.00 0.25 C ATOM 605 C GLU A 39 -6.695 -7.341 5.284 1.00 0.24 C ATOM 606 O GLU A 39 -6.746 -6.364 6.030 1.00 0.28 O ATOM 607 CB GLU A 39 -5.629 -8.938 6.906 1.00 0.28 C ATOM 608 CG GLU A 39 -4.600 -10.033 7.138 1.00 0.38 C ATOM 609 CD GLU A 39 -4.580 -10.547 8.564 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.695 -9.733 9.505 1.00 1.24 O ATOM 611 OE2 GLU A 39 -4.434 -11.772 8.754 1.00 1.39 O ATOM 0 H GLU A 39 -3.862 -7.349 5.897 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.843 -9.236 4.800 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.437 -8.115 7.594 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.621 -9.324 7.140 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.806 -10.864 6.463 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.611 -9.652 6.883 1.00 0.38 H new ATOM 618 N VAL A 40 -7.536 -7.534 4.279 1.00 0.20 N ATOM 619 CA VAL A 40 -8.595 -6.587 3.967 1.00 0.20 C ATOM 620 C VAL A 40 -9.958 -7.084 4.430 1.00 0.21 C ATOM 621 O VAL A 40 -10.384 -8.183 4.066 1.00 0.20 O ATOM 622 CB VAL A 40 -8.668 -6.325 2.453 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.783 -5.345 2.118 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.334 -5.818 1.935 1.00 0.22 C ATOM 0 H VAL A 40 -7.504 -8.345 3.661 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.351 -5.667 4.498 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.894 -7.270 1.958 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.810 -5.179 1.041 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.738 -5.755 2.446 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.600 -4.398 2.626 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.405 -5.638 0.862 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.076 -4.888 2.442 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.562 -6.563 2.128 1.00 0.22 H new ATOM 634 N VAL A 41 -10.629 -6.270 5.232 1.00 0.24 N ATOM 635 CA VAL A 41 -11.958 -6.589 5.721 1.00 0.27 C ATOM 636 C VAL A 41 -12.959 -5.630 5.075 1.00 0.29 C ATOM 637 O VAL A 41 -12.766 -4.417 5.109 1.00 0.31 O ATOM 638 CB VAL A 41 -12.037 -6.479 7.262 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.455 -6.713 7.755 1.00 0.70 C ATOM 640 CG2 VAL A 41 -11.070 -7.457 7.919 1.00 0.95 C ATOM 0 H VAL A 41 -10.268 -5.374 5.560 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.194 -7.619 5.455 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.748 -5.466 7.543 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.481 -6.630 8.842 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.120 -5.968 7.318 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.783 -7.710 7.460 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.140 -7.365 9.003 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.325 -8.475 7.624 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.052 -7.232 7.601 1.00 0.95 H new ATOM 650 N GLN A 42 -14.001 -6.171 4.463 1.00 0.31 N ATOM 651 CA GLN A 42 -14.994 -5.341 3.792 1.00 0.36 C ATOM 652 C GLN A 42 -16.196 -5.054 4.682 1.00 0.30 C ATOM 653 O GLN A 42 -16.718 -5.943 5.358 1.00 0.42 O ATOM 654 CB GLN A 42 -15.456 -6.015 2.501 1.00 0.53 C ATOM 655 CG GLN A 42 -16.456 -5.196 1.698 1.00 1.14 C ATOM 656 CD GLN A 42 -16.754 -5.806 0.341 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.088 -5.509 -0.648 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.761 -6.664 0.288 1.00 1.59 N ATOM 0 H GLN A 42 -14.182 -7.174 4.416 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.518 -4.388 3.560 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.585 -6.218 1.878 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.904 -6.978 2.746 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.384 -5.106 2.263 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.067 -4.187 1.561 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.289 -6.883 1.133 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.009 -7.106 -0.597 1.00 1.59 H new ATOM 667 N ASN A 43 -16.613 -3.797 4.679 1.00 0.30 N ATOM 668 CA ASN A 43 -17.774 -3.359 5.440 1.00 0.37 C ATOM 669 C ASN A 43 -18.409 -2.156 4.755 1.00 0.34 C ATOM 670 O ASN A 43 -18.079 -1.008 5.057 1.00 0.37 O ATOM 671 CB ASN A 43 -17.384 -3.006 6.877 1.00 0.53 C ATOM 672 CG ASN A 43 -18.570 -2.535 7.702 1.00 0.97 C ATOM 673 OD1 ASN A 43 -19.705 -2.972 7.497 1.00 1.44 O ATOM 674 ND2 ASN A 43 -18.312 -1.646 8.650 1.00 1.73 N ATOM 0 H ASN A 43 -16.158 -3.053 4.150 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.495 -4.176 5.478 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.937 -3.879 7.354 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.623 -2.226 6.862 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -19.066 -1.298 9.242 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -17.359 -1.309 8.788 1.00 1.73 H new ATOM 681 N GLY A 44 -19.298 -2.428 3.809 1.00 0.35 N ATOM 682 CA GLY A 44 -19.967 -1.364 3.085 1.00 0.37 C ATOM 683 C GLY A 44 -19.015 -0.608 2.180 1.00 0.34 C ATOM 684 O GLY A 44 -18.743 -1.035 1.056 1.00 0.40 O ATOM 0 H GLY A 44 -19.569 -3.371 3.529 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.777 -1.785 2.489 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.420 -0.671 3.795 1.00 0.37 H new ATOM 688 N ASN A 45 -18.512 0.516 2.661 1.00 0.31 N ATOM 689 CA ASN A 45 -17.569 1.323 1.900 1.00 0.29 C ATOM 690 C ASN A 45 -16.269 1.446 2.672 1.00 0.28 C ATOM 691 O ASN A 45 -15.382 2.214 2.308 1.00 0.29 O ATOM 692 CB ASN A 45 -18.139 2.716 1.620 1.00 0.32 C ATOM 693 CG ASN A 45 -18.707 2.855 0.224 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.665 3.933 -0.371 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.248 1.774 -0.310 1.00 0.43 N ATOM 0 H ASN A 45 -18.742 0.894 3.580 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.385 0.831 0.945 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.921 2.935 2.347 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.354 3.459 1.762 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.650 1.814 -1.247 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.264 0.899 0.214 1.00 0.43 H new ATOM 702 N ASP A 46 -16.171 0.682 3.749 1.00 0.30 N ATOM 703 CA ASP A 46 -14.992 0.695 4.597 1.00 0.29 C ATOM 704 C ASP A 46 -14.113 -0.515 4.318 1.00 0.28 C ATOM 705 O ASP A 46 -14.565 -1.657 4.416 1.00 0.36 O ATOM 706 CB ASP A 46 -15.404 0.714 6.070 1.00 0.33 C ATOM 707 CG ASP A 46 -14.244 0.446 7.006 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.399 1.345 7.183 1.00 1.29 O ATOM 709 OD2 ASP A 46 -14.181 -0.659 7.582 1.00 1.36 O ATOM 0 H ASP A 46 -16.901 0.040 4.057 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.420 1.596 4.374 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.841 1.684 6.308 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -16.179 -0.034 6.236 1.00 0.33 H new ATOM 714 N PHE A 47 -12.878 -0.253 3.916 1.00 0.23 N ATOM 715 CA PHE A 47 -11.913 -1.301 3.647 1.00 0.23 C ATOM 716 C PHE A 47 -10.703 -1.124 4.548 1.00 0.23 C ATOM 717 O PHE A 47 -10.115 -0.042 4.619 1.00 0.24 O ATOM 718 CB PHE A 47 -11.480 -1.266 2.180 1.00 0.25 C ATOM 719 CG PHE A 47 -12.577 -1.641 1.227 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.461 -0.686 0.754 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.723 -2.951 0.807 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.473 -1.032 -0.121 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.730 -3.303 -0.068 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.609 -2.344 -0.533 1.00 0.34 C ATOM 0 H PHE A 47 -12.520 0.691 3.768 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.377 -2.267 3.849 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.124 -0.265 1.937 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.639 -1.945 2.040 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.358 0.341 1.073 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.041 -3.707 1.168 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.157 -0.278 -0.482 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.831 -4.329 -0.390 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.399 -2.619 -1.216 1.00 0.34 H new ATOM 734 N THR A 48 -10.344 -2.178 5.249 1.00 0.26 N ATOM 735 CA THR A 48 -9.215 -2.132 6.146 1.00 0.27 C ATOM 736 C THR A 48 -7.944 -2.628 5.477 1.00 0.28 C ATOM 737 O THR A 48 -7.905 -3.724 4.921 1.00 0.38 O ATOM 738 CB THR A 48 -9.482 -2.972 7.402 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.624 -3.811 7.188 1.00 0.53 O ATOM 740 CG2 THR A 48 -9.721 -2.074 8.599 1.00 0.56 C ATOM 0 H THR A 48 -10.821 -3.079 5.213 1.00 0.26 H new ATOM 0 HA THR A 48 -9.077 -1.088 6.427 1.00 0.27 H new ATOM 0 HB THR A 48 -8.608 -3.593 7.601 1.00 0.29 H new ATOM 0 HG1 THR A 48 -11.410 -3.408 7.612 1.00 0.53 H new ATOM 0 HG21 THR A 48 -9.909 -2.686 9.481 1.00 0.56 H new ATOM 0 HG22 THR A 48 -8.842 -1.452 8.769 1.00 0.56 H new ATOM 0 HG23 THR A 48 -10.585 -1.437 8.409 1.00 0.56 H new ATOM 748 N TRP A 49 -6.909 -1.811 5.528 1.00 0.23 N ATOM 749 CA TRP A 49 -5.624 -2.172 4.964 1.00 0.23 C ATOM 750 C TRP A 49 -4.690 -2.543 6.104 1.00 0.23 C ATOM 751 O TRP A 49 -4.177 -1.673 6.810 1.00 0.24 O ATOM 752 CB TRP A 49 -5.050 -1.007 4.156 1.00 0.25 C ATOM 753 CG TRP A 49 -4.719 -1.355 2.733 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.496 -1.269 2.134 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.625 -1.827 1.731 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.582 -1.672 0.821 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.880 -2.017 0.548 1.00 0.36 C ATOM 758 CE3 TRP A 49 -6.992 -2.113 1.717 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.462 -2.474 -0.631 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.566 -2.565 0.546 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.802 -2.745 -0.615 1.00 0.42 C ATOM 0 H TRP A 49 -6.935 -0.886 5.958 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.738 -3.020 4.288 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.767 -0.186 4.161 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.148 -0.645 4.650 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.592 -0.933 2.620 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.807 -1.708 0.159 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.590 -1.983 2.607 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.875 -2.610 -1.527 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.623 -2.784 0.524 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.281 -3.105 -1.514 1.00 0.42 H new ATOM 772 N THR A 50 -4.510 -3.830 6.312 1.00 0.22 N ATOM 773 CA THR A 50 -3.655 -4.309 7.380 1.00 0.24 C ATOM 774 C THR A 50 -2.392 -4.925 6.810 1.00 0.25 C ATOM 775 O THR A 50 -2.446 -5.986 6.201 1.00 0.35 O ATOM 776 CB THR A 50 -4.380 -5.364 8.235 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.710 -4.921 8.534 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.620 -5.636 9.523 1.00 0.28 C ATOM 0 H THR A 50 -4.945 -4.566 5.755 1.00 0.22 H new ATOM 0 HA THR A 50 -3.399 -3.454 8.006 1.00 0.24 H new ATOM 0 HB THR A 50 -4.429 -6.292 7.665 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.327 -5.252 7.848 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.153 -6.385 10.109 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.622 -6.004 9.286 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.539 -4.714 10.099 1.00 0.28 H new ATOM 786 N GLN A 51 -1.261 -4.264 7.004 1.00 0.22 N ATOM 787 CA GLN A 51 0.003 -4.768 6.496 1.00 0.23 C ATOM 788 C GLN A 51 0.840 -5.364 7.619 1.00 0.22 C ATOM 789 O GLN A 51 1.258 -4.667 8.545 1.00 0.24 O ATOM 790 CB GLN A 51 0.787 -3.663 5.795 1.00 0.27 C ATOM 791 CG GLN A 51 0.641 -3.676 4.286 1.00 0.56 C ATOM 792 CD GLN A 51 -0.508 -2.825 3.797 1.00 0.71 C ATOM 793 OE1 GLN A 51 -0.842 -1.805 4.397 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.129 -3.252 2.714 1.00 0.82 N ATOM 0 H GLN A 51 -1.194 -3.380 7.508 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.220 -5.552 5.772 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.455 -2.697 6.175 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.842 -3.760 6.050 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.567 -3.321 3.834 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.495 -4.702 3.949 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.816 -4.104 2.249 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -1.922 -2.730 2.341 1.00 0.82 H new ATOM 803 N HIS A 52 1.108 -6.648 7.504 1.00 0.22 N ATOM 804 CA HIS A 52 1.889 -7.362 8.494 1.00 0.23 C ATOM 805 C HIS A 52 3.315 -7.554 8.017 1.00 0.23 C ATOM 806 O HIS A 52 3.551 -7.977 6.886 1.00 0.26 O ATOM 807 CB HIS A 52 1.255 -8.724 8.786 1.00 0.24 C ATOM 808 CG HIS A 52 -0.082 -8.639 9.456 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.200 -8.355 10.798 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.316 -8.825 8.933 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.497 -8.374 11.054 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.211 -8.655 9.955 1.00 0.35 N ATOM 0 H HIS A 52 0.792 -7.225 6.725 1.00 0.22 H new ATOM 0 HA HIS A 52 1.903 -6.769 9.408 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.147 -9.272 7.850 1.00 0.24 H new ATOM 0 HB3 HIS A 52 1.931 -9.301 9.417 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.550 -9.062 7.906 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.927 -8.187 12.027 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.226 -8.728 9.892 1.00 0.35 H new ATOM 820 N PHE A 53 4.264 -7.228 8.878 1.00 0.25 N ATOM 821 CA PHE A 53 5.664 -7.378 8.551 1.00 0.27 C ATOM 822 C PHE A 53 6.248 -8.544 9.324 1.00 0.31 C ATOM 823 O PHE A 53 6.038 -8.657 10.534 1.00 0.34 O ATOM 824 CB PHE A 53 6.433 -6.105 8.880 1.00 0.24 C ATOM 825 CG PHE A 53 7.663 -5.930 8.043 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.566 -5.830 6.666 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.911 -5.876 8.632 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.698 -5.679 5.892 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.047 -5.727 7.863 1.00 1.23 C ATOM 830 CZ PHE A 53 9.940 -5.628 6.493 1.00 0.34 C ATOM 0 H PHE A 53 4.085 -6.857 9.811 1.00 0.25 H new ATOM 0 HA PHE A 53 5.752 -7.569 7.482 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.778 -5.245 8.738 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.716 -6.120 9.933 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.596 -5.871 6.193 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.999 -5.951 9.706 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.613 -5.601 4.818 1.00 1.13 H new ATOM 0 HE2 PHE A 53 11.018 -5.688 8.334 1.00 1.23 H new ATOM 0 HZ PHE A 53 10.828 -5.510 5.889 1.00 0.34 H new ATOM 840 N PRO A 54 6.997 -9.421 8.644 1.00 0.35 N ATOM 841 CA PRO A 54 7.591 -10.591 9.289 1.00 0.41 C ATOM 842 C PRO A 54 8.634 -10.189 10.335 1.00 0.39 C ATOM 843 O PRO A 54 9.702 -9.669 10.002 1.00 0.37 O ATOM 844 CB PRO A 54 8.242 -11.341 8.118 1.00 0.46 C ATOM 845 CG PRO A 54 8.469 -10.306 7.066 1.00 0.45 C ATOM 846 CD PRO A 54 7.348 -9.322 7.213 1.00 0.39 C ATOM 0 HA PRO A 54 6.861 -11.191 9.833 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.180 -11.806 8.421 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.595 -12.138 7.753 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.436 -9.820 7.198 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.470 -10.753 6.072 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.660 -8.313 6.944 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.503 -9.576 6.573 1.00 0.39 H new ATOM 854 N GLY A 55 8.315 -10.440 11.599 1.00 0.43 N ATOM 855 CA GLY A 55 9.217 -10.112 12.690 1.00 0.46 C ATOM 856 C GLY A 55 9.446 -8.617 12.864 1.00 0.41 C ATOM 857 O GLY A 55 10.470 -8.214 13.406 1.00 0.43 O ATOM 0 H GLY A 55 7.437 -10.870 11.891 1.00 0.43 H new ATOM 0 HA2 GLY A 55 8.815 -10.520 13.618 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.176 -10.600 12.516 1.00 0.46 H new ATOM 861 N GLY A 56 8.503 -7.797 12.411 1.00 0.37 N ATOM 862 CA GLY A 56 8.659 -6.359 12.538 1.00 0.34 C ATOM 863 C GLY A 56 7.375 -5.663 12.922 1.00 0.35 C ATOM 864 O GLY A 56 6.411 -6.306 13.341 1.00 0.41 O ATOM 0 H GLY A 56 7.639 -8.099 11.961 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.421 -6.146 13.288 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.019 -5.952 11.593 1.00 0.34 H new ATOM 868 N ARG A 57 7.370 -4.342 12.791 1.00 0.34 N ATOM 869 CA ARG A 57 6.200 -3.531 13.130 1.00 0.38 C ATOM 870 C ARG A 57 5.048 -3.806 12.169 1.00 0.31 C ATOM 871 O ARG A 57 5.269 -4.190 11.024 1.00 0.28 O ATOM 872 CB ARG A 57 6.549 -2.025 13.146 1.00 0.45 C ATOM 873 CG ARG A 57 7.256 -1.502 11.899 1.00 0.43 C ATOM 874 CD ARG A 57 6.289 -1.189 10.762 1.00 0.53 C ATOM 875 NE ARG A 57 6.732 -1.797 9.512 1.00 1.58 N ATOM 876 CZ ARG A 57 5.932 -2.432 8.660 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.618 -2.453 8.856 1.00 2.27 N ATOM 878 NH2 ARG A 57 6.447 -3.021 7.589 1.00 3.34 N ATOM 0 H ARG A 57 8.167 -3.804 12.450 1.00 0.34 H new ATOM 0 HA ARG A 57 5.882 -3.813 14.134 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.629 -1.458 13.286 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.181 -1.825 14.011 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.815 -0.601 12.154 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.981 -2.242 11.560 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.294 -1.555 11.016 1.00 0.53 H new ATOM 0 HD3 ARG A 57 6.208 -0.109 10.636 1.00 0.53 H new ATOM 0 HE ARG A 57 7.722 -1.731 9.275 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.215 -1.980 9.665 1.00 2.27 H new ATOM 0 HH12 ARG A 57 4.012 -2.942 8.198 1.00 2.27 H new ATOM 0 HH21 ARG A 57 7.453 -2.986 7.422 1.00 3.34 H new ATOM 0 HH22 ARG A 57 5.837 -3.509 6.933 1.00 3.34 H new ATOM 892 N THR A 58 3.828 -3.659 12.647 1.00 0.36 N ATOM 893 CA THR A 58 2.665 -3.866 11.808 1.00 0.31 C ATOM 894 C THR A 58 2.007 -2.524 11.523 1.00 0.28 C ATOM 895 O THR A 58 2.084 -1.600 12.334 1.00 0.33 O ATOM 896 CB THR A 58 1.647 -4.844 12.441 1.00 0.35 C ATOM 897 OG1 THR A 58 0.666 -5.226 11.472 1.00 0.34 O ATOM 898 CG2 THR A 58 0.948 -4.227 13.641 1.00 0.39 C ATOM 0 H THR A 58 3.617 -3.398 13.610 1.00 0.36 H new ATOM 0 HA THR A 58 3.000 -4.323 10.877 1.00 0.31 H new ATOM 0 HB THR A 58 2.201 -5.720 12.778 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.989 -5.003 10.574 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.241 -4.944 14.058 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.688 -3.964 14.397 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.414 -3.330 13.329 1.00 0.39 H new ATOM 906 N THR A 59 1.389 -2.407 10.368 1.00 0.25 N ATOM 907 CA THR A 59 0.739 -1.173 9.986 1.00 0.27 C ATOM 908 C THR A 59 -0.697 -1.450 9.578 1.00 0.24 C ATOM 909 O THR A 59 -0.953 -2.108 8.573 1.00 0.36 O ATOM 910 CB THR A 59 1.502 -0.477 8.843 1.00 0.32 C ATOM 911 OG1 THR A 59 2.898 -0.404 9.168 1.00 0.49 O ATOM 912 CG2 THR A 59 0.976 0.927 8.607 1.00 0.48 C ATOM 0 H THR A 59 1.323 -3.153 9.676 1.00 0.25 H new ATOM 0 HA THR A 59 0.740 -0.501 10.845 1.00 0.27 H new ATOM 0 HB THR A 59 1.356 -1.062 7.935 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.180 0.534 9.191 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.534 1.393 7.795 1.00 0.48 H new ATOM 0 HG22 THR A 59 -0.080 0.880 8.342 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.096 1.518 9.515 1.00 0.48 H new ATOM 920 N THR A 60 -1.632 -0.978 10.382 1.00 0.26 N ATOM 921 CA THR A 60 -3.045 -1.191 10.112 1.00 0.23 C ATOM 922 C THR A 60 -3.786 0.131 9.944 1.00 0.22 C ATOM 923 O THR A 60 -3.876 0.926 10.882 1.00 0.26 O ATOM 924 CB THR A 60 -3.698 -1.995 11.252 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.805 -3.029 11.690 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.019 -2.609 10.806 1.00 0.24 C ATOM 0 H THR A 60 -1.440 -0.444 11.229 1.00 0.26 H new ATOM 0 HA THR A 60 -3.115 -1.752 9.180 1.00 0.23 H new ATOM 0 HB THR A 60 -3.901 -1.313 12.077 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.224 -3.537 12.416 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.456 -3.170 11.632 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.704 -1.817 10.502 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.843 -3.279 9.965 1.00 0.24 H new ATOM 934 N ASN A 61 -4.300 0.373 8.749 1.00 0.25 N ATOM 935 CA ASN A 61 -5.042 1.598 8.478 1.00 0.26 C ATOM 936 C ASN A 61 -6.434 1.271 7.976 1.00 0.29 C ATOM 937 O ASN A 61 -6.615 0.451 7.079 1.00 0.51 O ATOM 938 CB ASN A 61 -4.322 2.493 7.456 1.00 0.36 C ATOM 939 CG ASN A 61 -2.968 3.013 7.919 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.133 3.388 7.097 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.738 3.057 9.224 1.00 1.72 N ATOM 0 H ASN A 61 -4.219 -0.259 7.952 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.110 2.147 9.417 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.185 1.931 6.532 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.963 3.343 7.220 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.847 3.410 9.573 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -3.452 2.738 9.879 1.00 1.72 H new ATOM 948 N SER A 62 -7.411 1.914 8.575 1.00 0.21 N ATOM 949 CA SER A 62 -8.794 1.713 8.214 1.00 0.25 C ATOM 950 C SER A 62 -9.321 2.948 7.499 1.00 0.23 C ATOM 951 O SER A 62 -9.253 4.055 8.033 1.00 0.29 O ATOM 952 CB SER A 62 -9.574 1.438 9.487 1.00 0.34 C ATOM 953 OG SER A 62 -9.258 2.395 10.488 1.00 1.04 O ATOM 0 H SER A 62 -7.268 2.590 9.325 1.00 0.21 H new ATOM 0 HA SER A 62 -8.902 0.867 7.535 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.643 1.464 9.277 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.345 0.436 9.850 1.00 0.34 H new ATOM 0 HG SER A 62 -9.123 3.272 10.071 1.00 1.04 H new ATOM 959 N PHE A 63 -9.834 2.769 6.296 1.00 0.18 N ATOM 960 CA PHE A 63 -10.338 3.891 5.527 1.00 0.17 C ATOM 961 C PHE A 63 -11.712 3.606 4.952 1.00 0.18 C ATOM 962 O PHE A 63 -12.053 2.463 4.648 1.00 0.24 O ATOM 963 CB PHE A 63 -9.361 4.256 4.403 1.00 0.17 C ATOM 964 CG PHE A 63 -9.165 3.170 3.383 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.026 3.053 2.302 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.119 2.268 3.502 1.00 0.86 C ATOM 967 CE1 PHE A 63 -9.848 2.057 1.365 1.00 0.88 C ATOM 968 CE2 PHE A 63 -7.940 1.271 2.564 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.804 1.167 1.495 1.00 0.23 C ATOM 0 H PHE A 63 -9.912 1.864 5.833 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.430 4.737 6.208 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.723 5.152 3.899 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.395 4.505 4.843 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.844 3.749 2.193 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.438 2.346 4.336 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.527 1.974 0.529 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.123 0.572 2.668 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.663 0.389 0.760 1.00 0.23 H new ATOM 979 N THR A 64 -12.491 4.655 4.801 1.00 0.17 N ATOM 980 CA THR A 64 -13.817 4.549 4.243 1.00 0.19 C ATOM 981 C THR A 64 -13.897 5.415 2.994 1.00 0.18 C ATOM 982 O THR A 64 -13.457 6.562 3.004 1.00 0.19 O ATOM 983 CB THR A 64 -14.882 4.980 5.276 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.916 4.039 6.357 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.266 5.096 4.653 1.00 0.22 C ATOM 0 H THR A 64 -12.221 5.603 5.062 1.00 0.17 H new ATOM 0 HA THR A 64 -14.017 3.511 3.978 1.00 0.19 H new ATOM 0 HB THR A 64 -14.602 5.966 5.648 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.254 3.334 6.198 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.983 5.401 5.415 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.245 5.839 3.856 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.562 4.131 4.242 1.00 0.22 H new ATOM 993 N ILE A 65 -14.396 4.844 1.907 1.00 0.18 N ATOM 994 CA ILE A 65 -14.524 5.573 0.654 1.00 0.18 C ATOM 995 C ILE A 65 -15.330 6.860 0.844 1.00 0.21 C ATOM 996 O ILE A 65 -16.439 6.831 1.384 1.00 0.24 O ATOM 997 CB ILE A 65 -15.186 4.711 -0.436 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.430 3.390 -0.609 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.236 5.469 -1.753 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -12.964 3.560 -0.954 1.00 0.19 C ATOM 0 H ILE A 65 -14.719 3.877 1.868 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.514 5.829 0.332 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.206 4.486 -0.125 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.511 2.813 0.312 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.912 2.807 -1.394 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.707 4.846 -2.514 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.814 6.384 -1.624 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.223 5.721 -2.066 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.499 2.580 -1.060 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.872 4.108 -1.892 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.465 4.114 -0.159 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.730 7.975 0.415 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.328 9.311 0.502 1.00 0.23 C ATOM 1014 C ASP A 66 -15.296 9.808 1.946 1.00 0.23 C ATOM 1015 O ASP A 66 -16.081 10.667 2.356 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.761 9.323 -0.045 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.278 10.726 -0.305 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.553 11.525 -0.933 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.422 11.031 0.104 1.00 1.10 O ATOM 0 H ASP A 66 -13.802 7.975 -0.008 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.737 9.986 -0.117 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.796 8.750 -0.971 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.420 8.823 0.665 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.378 9.247 2.715 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.214 9.609 4.111 1.00 0.22 C ATOM 1026 C LYS A 67 -12.730 9.729 4.458 1.00 0.21 C ATOM 1027 O LYS A 67 -11.910 8.948 3.973 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.886 8.550 4.994 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.563 8.672 6.474 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.124 9.954 7.064 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.423 10.326 8.359 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.757 11.709 8.793 1.00 1.59 N ATOM 0 H LYS A 67 -13.728 8.531 2.390 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.685 10.576 4.290 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.966 8.617 4.863 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.584 7.561 4.649 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.973 7.815 7.008 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.482 8.648 6.614 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -15.014 10.765 6.344 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.191 9.834 7.249 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.707 9.622 9.141 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.345 10.237 8.227 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.124 11.992 9.568 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -14.638 12.362 7.993 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.743 11.741 9.122 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.382 10.730 5.262 1.00 0.24 N ATOM 1047 CA GLU A 68 -11.004 10.906 5.686 1.00 0.26 C ATOM 1048 C GLU A 68 -10.617 9.777 6.635 1.00 0.23 C ATOM 1049 O GLU A 68 -11.424 9.342 7.461 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.803 12.284 6.338 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.629 12.532 7.596 1.00 1.35 C ATOM 1052 CD GLU A 68 -10.896 12.163 8.874 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.649 12.169 8.881 1.00 2.51 O ATOM 1054 OE2 GLU A 68 -11.571 11.863 9.889 1.00 2.55 O ATOM 0 H GLU A 68 -13.033 11.425 5.629 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.352 10.866 4.814 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.748 12.401 6.586 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.045 13.054 5.606 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -11.910 13.584 7.637 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -12.553 11.957 7.536 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.398 9.289 6.507 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.940 8.190 7.339 1.00 0.18 C ATOM 1063 C ALA A 69 -7.560 8.444 7.923 1.00 0.21 C ATOM 1064 O ALA A 69 -6.735 9.132 7.318 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.922 6.910 6.522 1.00 0.18 C ATOM 0 H ALA A 69 -8.709 9.633 5.838 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.635 8.097 8.174 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.578 6.085 7.146 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.927 6.696 6.159 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.248 7.029 5.674 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.321 7.868 9.095 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.041 7.989 9.770 1.00 0.24 C ATOM 1073 C ASP A 70 -5.108 6.941 9.206 1.00 0.22 C ATOM 1074 O ASP A 70 -5.392 5.743 9.269 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.190 7.796 11.282 1.00 0.31 C ATOM 1076 CG ASP A 70 -4.848 7.627 11.974 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.025 8.554 11.918 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -4.609 6.556 12.572 1.00 1.87 O ATOM 0 H ASP A 70 -8.007 7.307 9.600 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.640 8.989 9.604 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.710 8.655 11.707 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.809 6.920 11.475 1.00 0.31 H new ATOM 1083 N MET A 71 -4.010 7.383 8.640 1.00 0.20 N ATOM 1084 CA MET A 71 -3.073 6.471 8.035 1.00 0.20 C ATOM 1085 C MET A 71 -1.696 6.578 8.655 1.00 0.22 C ATOM 1086 O MET A 71 -1.424 7.461 9.476 1.00 0.26 O ATOM 1087 CB MET A 71 -2.993 6.737 6.545 1.00 0.22 C ATOM 1088 CG MET A 71 -4.347 6.705 5.879 1.00 0.19 C ATOM 1089 SD MET A 71 -4.435 7.765 4.434 1.00 0.20 S ATOM 1090 CE MET A 71 -6.189 7.672 4.114 1.00 0.20 C ATOM 0 H MET A 71 -3.745 8.367 8.587 1.00 0.20 H new ATOM 0 HA MET A 71 -3.433 5.457 8.212 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.532 7.710 6.377 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.345 5.993 6.081 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.580 5.681 5.588 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.107 7.013 6.597 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.384 7.943 3.077 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.539 6.656 4.295 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.716 8.360 4.775 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.851 5.641 8.279 1.00 0.24 N ATOM 1101 CA GLU A 72 0.516 5.588 8.743 1.00 0.25 C ATOM 1102 C GLU A 72 1.323 4.730 7.784 1.00 0.26 C ATOM 1103 O GLU A 72 0.803 3.779 7.209 1.00 0.29 O ATOM 1104 CB GLU A 72 0.590 5.026 10.167 1.00 0.28 C ATOM 1105 CG GLU A 72 2.008 4.830 10.688 1.00 0.30 C ATOM 1106 CD GLU A 72 2.137 5.162 12.156 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.317 4.664 12.958 1.00 1.32 O ATOM 1108 OE2 GLU A 72 3.053 5.928 12.514 1.00 1.47 O ATOM 0 H GLU A 72 -1.098 4.888 7.636 1.00 0.24 H new ATOM 0 HA GLU A 72 0.929 6.596 8.769 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.058 5.699 10.839 1.00 0.28 H new ATOM 0 HB3 GLU A 72 0.069 4.069 10.195 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.312 3.796 10.525 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.692 5.457 10.116 1.00 0.30 H new ATOM 1115 N THR A 73 2.571 5.084 7.586 1.00 0.26 N ATOM 1116 CA THR A 73 3.421 4.328 6.691 1.00 0.28 C ATOM 1117 C THR A 73 4.128 3.219 7.453 1.00 0.30 C ATOM 1118 O THR A 73 3.923 3.047 8.657 1.00 0.36 O ATOM 1119 CB THR A 73 4.471 5.230 6.013 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.458 5.632 6.966 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.819 6.469 5.417 1.00 0.32 C ATOM 0 H THR A 73 3.020 5.886 8.029 1.00 0.26 H new ATOM 0 HA THR A 73 2.785 3.898 5.917 1.00 0.28 H new ATOM 0 HB THR A 73 4.941 4.659 5.212 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.336 5.666 6.533 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.581 7.089 4.944 1.00 0.32 H new ATOM 0 HG22 THR A 73 3.081 6.170 4.672 1.00 0.32 H new ATOM 0 HG23 THR A 73 3.327 7.037 6.207 1.00 0.32 H new ATOM 1129 N MET A 74 4.965 2.466 6.759 1.00 0.32 N ATOM 1130 CA MET A 74 5.708 1.401 7.391 1.00 0.34 C ATOM 1131 C MET A 74 6.936 1.990 8.067 1.00 0.31 C ATOM 1132 O MET A 74 7.621 1.319 8.838 1.00 0.37 O ATOM 1133 CB MET A 74 6.124 0.353 6.363 1.00 0.42 C ATOM 1134 CG MET A 74 4.982 -0.518 5.875 1.00 0.76 C ATOM 1135 SD MET A 74 5.542 -1.823 4.765 1.00 0.93 S ATOM 1136 CE MET A 74 4.098 -2.876 4.749 1.00 1.05 C ATOM 0 H MET A 74 5.143 2.576 5.761 1.00 0.32 H new ATOM 0 HA MET A 74 5.077 0.913 8.134 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.575 0.856 5.508 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.893 -0.284 6.799 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.477 -0.965 6.732 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.248 0.103 5.361 1.00 0.76 H new ATOM 0 HE1 MET A 74 3.857 -3.148 3.721 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.300 -3.779 5.326 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.255 -2.344 5.190 1.00 1.05 H new ATOM 1146 N GLY A 75 7.206 3.252 7.757 1.00 0.28 N ATOM 1147 CA GLY A 75 8.336 3.939 8.334 1.00 0.31 C ATOM 1148 C GLY A 75 7.961 4.630 9.629 1.00 0.35 C ATOM 1149 O GLY A 75 8.825 5.017 10.414 1.00 0.48 O ATOM 0 H GLY A 75 6.653 3.813 7.109 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.140 3.227 8.519 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.718 4.674 7.625 1.00 0.31 H new ATOM 1153 N GLY A 76 6.658 4.777 9.852 1.00 0.34 N ATOM 1154 CA GLY A 76 6.175 5.410 11.060 1.00 0.39 C ATOM 1155 C GLY A 76 5.834 6.874 10.859 1.00 0.38 C ATOM 1156 O GLY A 76 6.436 7.749 11.483 1.00 0.48 O ATOM 0 H GLY A 76 5.927 4.466 9.212 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.290 4.881 11.414 1.00 0.39 H new ATOM 0 HA3 GLY A 76 6.932 5.321 11.839 1.00 0.39 H new ATOM 1160 N ARG A 77 4.883 7.143 9.976 1.00 0.38 N ATOM 1161 CA ARG A 77 4.455 8.511 9.702 1.00 0.38 C ATOM 1162 C ARG A 77 2.967 8.657 9.954 1.00 0.37 C ATOM 1163 O ARG A 77 2.166 7.918 9.384 1.00 0.36 O ATOM 1164 CB ARG A 77 4.749 8.910 8.253 1.00 0.37 C ATOM 1165 CG ARG A 77 6.132 8.565 7.771 1.00 0.39 C ATOM 1166 CD ARG A 77 6.285 8.933 6.311 1.00 0.43 C ATOM 1167 NE ARG A 77 6.733 10.315 6.139 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.861 10.665 5.525 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.662 9.743 5.010 1.00 0.80 N ATOM 1170 NH2 ARG A 77 8.182 11.950 5.421 1.00 0.85 N ATOM 0 H ARG A 77 4.391 6.432 9.435 1.00 0.38 H new ATOM 0 HA ARG A 77 5.015 9.166 10.370 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.021 8.425 7.603 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.601 9.985 8.150 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.875 9.095 8.367 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.316 7.499 7.906 1.00 0.39 H new ATOM 0 HD2 ARG A 77 7.000 8.259 5.840 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.332 8.794 5.800 1.00 0.43 H new ATOM 0 HE ARG A 77 6.143 11.058 6.514 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.416 8.756 5.082 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.524 10.021 4.541 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.565 12.663 5.811 1.00 0.85 H new ATOM 0 HH22 ARG A 77 9.045 12.224 4.952 1.00 0.85 H new ATOM 1184 N LYS A 78 2.599 9.608 10.797 1.00 0.42 N ATOM 1185 CA LYS A 78 1.199 9.847 11.107 1.00 0.43 C ATOM 1186 C LYS A 78 0.622 10.924 10.205 1.00 0.39 C ATOM 1187 O LYS A 78 1.129 12.046 10.156 1.00 0.44 O ATOM 1188 CB LYS A 78 1.031 10.268 12.566 1.00 0.57 C ATOM 1189 CG LYS A 78 1.264 9.142 13.566 1.00 0.75 C ATOM 1190 CD LYS A 78 0.456 7.903 13.213 1.00 1.12 C ATOM 1191 CE LYS A 78 -1.023 8.222 13.052 1.00 1.69 C ATOM 1192 NZ LYS A 78 -1.764 7.119 12.391 1.00 1.76 N ATOM 0 H LYS A 78 3.251 10.227 11.279 1.00 0.42 H new ATOM 0 HA LYS A 78 0.661 8.914 10.939 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.725 11.081 12.781 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.025 10.662 12.706 1.00 0.57 H new ATOM 0 HG2 LYS A 78 2.324 8.891 13.591 1.00 0.75 H new ATOM 0 HG3 LYS A 78 0.993 9.481 14.566 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.838 7.471 12.288 1.00 1.12 H new ATOM 0 HD3 LYS A 78 0.583 7.151 13.992 1.00 1.12 H new ATOM 0 HE2 LYS A 78 -1.460 8.416 14.032 1.00 1.69 H new ATOM 0 HE3 LYS A 78 -1.135 9.135 12.467 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 -2.732 7.076 12.768 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 -1.799 7.290 11.366 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 -1.281 6.217 12.575 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.433 10.573 9.494 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.098 11.502 8.590 1.00 0.31 C ATOM 1208 C PHE A 79 -2.511 11.029 8.285 1.00 0.28 C ATOM 1209 O PHE A 79 -2.879 9.898 8.605 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.306 11.623 7.286 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.155 10.320 6.561 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.870 9.457 6.891 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.037 9.956 5.560 1.00 1.17 C ATOM 1214 CE1 PHE A 79 1.019 8.253 6.240 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -0.896 8.752 4.901 1.00 1.16 C ATOM 1216 CZ PHE A 79 0.133 7.896 5.242 1.00 0.26 C ATOM 0 H PHE A 79 -0.853 9.644 9.524 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.148 12.477 9.074 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.803 12.339 6.632 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.683 12.025 7.506 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.565 9.730 7.671 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -1.844 10.621 5.291 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.827 7.589 6.509 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.590 8.479 4.119 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.244 6.951 4.730 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.297 11.896 7.670 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.662 11.560 7.307 1.00 0.33 C ATOM 1228 C LYS A 80 -4.925 11.960 5.870 1.00 0.27 C ATOM 1229 O LYS A 80 -4.417 12.977 5.397 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.653 12.256 8.239 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.673 11.672 9.640 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.565 12.755 10.698 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.774 13.679 10.674 1.00 1.64 C ATOM 1234 NZ LYS A 80 -8.055 12.936 10.824 1.00 2.55 N ATOM 0 H LYS A 80 -3.012 12.840 7.411 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.796 10.483 7.408 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.403 13.315 8.298 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.653 12.188 7.810 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.595 11.109 9.787 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -4.848 10.968 9.753 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -5.476 12.296 11.683 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.658 13.336 10.534 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -6.685 14.411 11.476 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.786 14.234 9.736 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -8.770 13.559 11.250 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -8.384 12.619 9.890 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -7.907 12.109 11.437 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.718 11.168 5.180 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.035 11.442 3.792 1.00 0.20 C ATOM 1250 C ALA A 81 -7.437 10.964 3.455 1.00 0.19 C ATOM 1251 O ALA A 81 -8.025 10.174 4.192 1.00 0.19 O ATOM 1252 CB ALA A 81 -5.015 10.781 2.876 1.00 0.21 C ATOM 0 H ALA A 81 -6.156 10.328 5.557 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.996 12.520 3.638 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.266 10.995 1.837 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -4.021 11.170 3.097 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.026 9.703 3.037 1.00 0.21 H new ATOM 1258 N THR A 82 -7.974 11.466 2.358 1.00 0.19 N ATOM 1259 CA THR A 82 -9.297 11.078 1.910 1.00 0.19 C ATOM 1260 C THR A 82 -9.165 10.075 0.772 1.00 0.20 C ATOM 1261 O THR A 82 -8.377 10.276 -0.156 1.00 0.28 O ATOM 1262 CB THR A 82 -10.113 12.296 1.438 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.727 13.456 2.196 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.608 12.042 1.601 1.00 0.25 C ATOM 0 H THR A 82 -7.510 12.148 1.758 1.00 0.19 H new ATOM 0 HA THR A 82 -9.826 10.627 2.750 1.00 0.19 H new ATOM 0 HB THR A 82 -9.908 12.466 0.381 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.245 14.231 1.894 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.165 12.915 1.261 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.897 11.175 1.007 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.833 11.854 2.651 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.922 8.991 0.846 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.868 7.960 -0.169 1.00 0.15 C ATOM 1274 C VAL A 83 -11.191 7.881 -0.907 1.00 0.16 C ATOM 1275 O VAL A 83 -12.248 8.023 -0.304 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.550 6.586 0.452 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.305 5.559 -0.631 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.351 6.673 1.379 1.00 0.19 C ATOM 0 H VAL A 83 -10.581 8.806 1.602 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.073 8.222 -0.867 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.413 6.274 1.040 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.082 4.595 -0.174 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.195 5.468 -1.254 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.462 5.873 -1.246 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.148 5.690 1.804 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.481 7.013 0.817 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.562 7.379 2.182 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.130 7.667 -2.211 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.330 7.564 -3.024 1.00 0.19 C ATOM 1290 C LYS A 84 -12.257 6.317 -3.900 1.00 0.19 C ATOM 1291 O LYS A 84 -11.281 5.570 -3.837 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.499 8.832 -3.870 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.242 9.233 -4.624 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.091 10.743 -4.717 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.722 11.129 -5.253 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.603 12.597 -5.470 1.00 1.14 N ATOM 0 H LYS A 84 -10.259 7.561 -2.731 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.202 7.472 -2.377 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.307 8.677 -4.585 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.801 9.654 -3.221 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.370 8.811 -4.125 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.270 8.809 -5.628 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.866 11.149 -5.367 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.237 11.187 -3.732 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -8.953 10.802 -4.553 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.540 10.607 -6.193 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.655 12.818 -5.836 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.320 12.906 -6.157 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.751 13.094 -4.569 1.00 1.14 H new ATOM 1310 N MET A 85 -13.277 6.085 -4.711 1.00 0.21 N ATOM 1311 CA MET A 85 -13.304 4.912 -5.567 1.00 0.22 C ATOM 1312 C MET A 85 -13.756 5.285 -6.969 1.00 0.28 C ATOM 1313 O MET A 85 -14.726 6.022 -7.136 1.00 0.41 O ATOM 1314 CB MET A 85 -14.240 3.853 -4.983 1.00 0.23 C ATOM 1315 CG MET A 85 -13.566 2.541 -4.637 1.00 0.21 C ATOM 1316 SD MET A 85 -14.720 1.341 -3.942 1.00 0.26 S ATOM 1317 CE MET A 85 -13.585 0.240 -3.111 1.00 0.25 C ATOM 0 H MET A 85 -14.093 6.691 -4.794 1.00 0.21 H new ATOM 0 HA MET A 85 -12.295 4.504 -5.622 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.707 4.255 -4.084 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.039 3.659 -5.698 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.107 2.123 -5.533 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.763 2.725 -3.923 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.115 -0.659 -2.797 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.779 -0.033 -3.792 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.168 0.740 -2.237 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.036 4.798 -7.965 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.370 5.069 -9.356 1.00 0.32 C ATOM 1329 C GLU A 86 -13.381 3.773 -10.159 1.00 0.29 C ATOM 1330 O GLU A 86 -12.340 3.167 -10.395 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.386 6.072 -9.975 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.925 5.738 -9.724 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.980 6.659 -10.465 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.803 7.814 -10.027 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -9.413 6.233 -11.493 1.00 2.67 O ATOM 0 H GLU A 86 -12.212 4.210 -7.837 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.366 5.511 -9.385 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.558 6.118 -11.050 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.595 7.064 -9.576 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.721 5.799 -8.655 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.735 4.708 -10.027 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.575 3.334 -10.533 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.715 2.115 -11.312 1.00 0.46 C ATOM 1344 C GLY A 87 -14.244 0.881 -10.565 1.00 0.38 C ATOM 1345 O GLY A 87 -13.702 -0.047 -11.164 1.00 0.36 O ATOM 0 H GLY A 87 -15.454 3.801 -10.311 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.760 1.987 -11.593 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.146 2.213 -12.237 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.439 0.874 -9.251 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.022 -0.261 -8.451 1.00 0.33 C ATOM 1351 C GLY A 88 -12.553 -0.196 -8.072 1.00 0.27 C ATOM 1352 O GLY A 88 -11.965 -1.199 -7.677 1.00 0.32 O ATOM 0 H GLY A 88 -14.877 1.632 -8.727 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.626 -0.304 -7.545 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.211 -1.181 -9.005 1.00 0.33 H new ATOM 1356 N LYS A 89 -11.969 0.985 -8.189 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.563 1.178 -7.860 1.00 0.19 C ATOM 1358 C LYS A 89 -10.431 2.139 -6.695 1.00 0.17 C ATOM 1359 O LYS A 89 -10.989 3.237 -6.724 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.783 1.712 -9.066 1.00 0.24 C ATOM 1361 CG LYS A 89 -9.884 0.839 -10.306 1.00 0.28 C ATOM 1362 CD LYS A 89 -8.898 1.294 -11.367 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.054 0.515 -12.663 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.791 0.494 -13.451 1.00 1.76 N ATOM 0 H LYS A 89 -12.446 1.827 -8.510 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.143 0.211 -7.582 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.147 2.711 -9.307 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.733 1.813 -8.790 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -9.687 -0.200 -10.042 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -10.898 0.880 -10.704 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.042 2.356 -11.563 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -7.882 1.174 -10.992 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.359 -0.507 -12.438 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.849 0.961 -13.262 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -7.765 -0.361 -14.043 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.747 1.337 -14.058 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -6.978 0.491 -12.803 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.724 1.722 -5.662 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.523 2.566 -4.501 1.00 0.16 C ATOM 1380 C ILE A 90 -8.380 3.540 -4.750 1.00 0.17 C ATOM 1381 O ILE A 90 -7.219 3.144 -4.823 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.230 1.745 -3.231 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.141 0.515 -3.156 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.421 2.619 -2.014 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.268 -0.092 -1.767 1.00 0.20 C ATOM 0 H ILE A 90 -9.280 0.805 -5.603 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.450 3.115 -4.339 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.198 1.395 -3.265 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.134 0.792 -3.510 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.760 -0.246 -3.838 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.214 2.040 -1.114 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.738 3.467 -2.065 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.449 2.981 -1.984 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -10.931 -0.957 -1.807 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.285 -0.404 -1.415 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.680 0.649 -1.082 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.722 4.808 -4.899 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.741 5.844 -5.154 1.00 0.17 C ATOM 1399 C VAL A 91 -7.603 6.791 -3.960 1.00 0.16 C ATOM 1400 O VAL A 91 -8.594 7.288 -3.421 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.119 6.637 -6.426 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.603 6.951 -6.451 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.296 7.912 -6.547 1.00 0.25 C ATOM 0 H VAL A 91 -9.683 5.146 -4.847 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.777 5.360 -5.309 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.890 6.008 -7.286 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.842 7.509 -7.356 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.172 6.021 -6.437 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.863 7.548 -5.577 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.585 8.447 -7.451 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.475 8.545 -5.678 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.237 7.658 -6.599 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.363 7.015 -3.545 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.066 7.903 -2.429 1.00 0.19 C ATOM 1415 C ALA A 92 -5.428 9.199 -2.923 1.00 0.20 C ATOM 1416 O ALA A 92 -4.623 9.184 -3.858 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.156 7.206 -1.435 1.00 0.22 C ATOM 0 H ALA A 92 -5.539 6.589 -3.970 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.001 8.156 -1.930 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.941 7.879 -0.605 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.648 6.310 -1.057 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.224 6.928 -1.928 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.782 10.312 -2.291 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.251 11.617 -2.681 1.00 0.26 C ATOM 1425 C ASP A 93 -4.112 12.061 -1.770 1.00 0.22 C ATOM 1426 O ASP A 93 -4.281 12.204 -0.556 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.364 12.661 -2.682 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.850 14.073 -2.878 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.404 14.396 -4.000 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.906 14.871 -1.919 1.00 1.19 O ATOM 0 H ASP A 93 -6.434 10.339 -1.507 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.848 11.521 -3.689 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.075 12.426 -3.474 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.908 12.606 -1.739 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.951 12.277 -2.374 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.759 12.710 -1.650 1.00 0.21 C ATOM 1437 C PHE A 94 -0.954 13.687 -2.496 1.00 0.24 C ATOM 1438 O PHE A 94 -1.052 13.669 -3.721 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.875 11.510 -1.298 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.453 10.632 -0.244 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.326 10.964 1.091 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -2.124 9.474 -0.587 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.862 10.156 2.067 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.664 8.664 0.386 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.532 9.005 1.712 1.00 0.25 C ATOM 0 H PHE A 94 -2.807 12.158 -3.377 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.083 13.200 -0.732 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.704 10.919 -2.198 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.098 11.871 -0.965 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.801 11.866 1.371 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.226 9.202 -1.627 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.758 10.423 3.108 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.190 7.763 0.109 1.00 1.14 H new ATOM 0 HZ PHE A 94 -2.954 8.370 2.476 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.162 14.568 -1.866 1.00 0.26 N ATOM 1456 CA PRO A 95 0.667 15.531 -2.592 1.00 0.29 C ATOM 1457 C PRO A 95 1.856 14.852 -3.271 1.00 0.26 C ATOM 1458 O PRO A 95 2.724 14.296 -2.597 1.00 0.27 O ATOM 1459 CB PRO A 95 1.145 16.487 -1.492 1.00 0.36 C ATOM 1460 CG PRO A 95 1.097 15.694 -0.235 1.00 0.32 C ATOM 1461 CD PRO A 95 -0.034 14.715 -0.399 1.00 0.28 C ATOM 0 HA PRO A 95 0.122 16.030 -3.393 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.155 16.845 -1.693 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.503 17.365 -1.428 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.040 15.174 -0.066 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.931 16.340 0.627 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.189 13.762 0.081 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.955 15.089 0.048 1.00 0.28 H new ATOM 1469 N ASN A 96 1.856 14.870 -4.610 1.00 0.27 N ATOM 1470 CA ASN A 96 2.926 14.275 -5.426 1.00 0.29 C ATOM 1471 C ASN A 96 2.892 12.747 -5.365 1.00 0.28 C ATOM 1472 O ASN A 96 3.685 12.069 -6.017 1.00 0.37 O ATOM 1473 CB ASN A 96 4.300 14.801 -4.982 1.00 0.35 C ATOM 1474 CG ASN A 96 5.415 14.479 -5.965 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.220 14.498 -7.185 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.598 14.193 -5.440 1.00 1.50 N ATOM 0 H ASN A 96 1.112 15.299 -5.161 1.00 0.27 H new ATOM 0 HA ASN A 96 2.757 14.571 -6.461 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.242 15.881 -4.850 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.548 14.374 -4.010 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.388 13.978 -6.049 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.719 14.188 -4.427 1.00 1.50 H new ATOM 1483 N TYR A 97 1.946 12.214 -4.608 1.00 0.23 N ATOM 1484 CA TYR A 97 1.800 10.775 -4.452 1.00 0.21 C ATOM 1485 C TYR A 97 0.403 10.350 -4.878 1.00 0.21 C ATOM 1486 O TYR A 97 -0.596 10.904 -4.422 1.00 0.24 O ATOM 1487 CB TYR A 97 2.064 10.375 -2.994 1.00 0.22 C ATOM 1488 CG TYR A 97 2.374 8.903 -2.783 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.414 7.923 -3.020 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.621 8.501 -2.327 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.696 6.586 -2.811 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.907 7.166 -2.110 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.941 6.212 -2.354 1.00 0.32 C ATOM 1494 OH TYR A 97 3.218 4.881 -2.127 1.00 0.38 O ATOM 0 H TYR A 97 1.262 12.762 -4.087 1.00 0.23 H new ATOM 0 HA TYR A 97 2.528 10.269 -5.086 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.898 10.965 -2.616 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.191 10.637 -2.396 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.435 8.212 -3.372 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.382 9.244 -2.138 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.943 5.837 -3.005 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.882 6.871 -1.751 1.00 1.14 H new ATOM 0 HH TYR A 97 4.140 4.789 -1.808 1.00 0.38 H new ATOM 1504 N HIS A 98 0.340 9.376 -5.763 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.931 8.868 -6.254 1.00 0.22 C ATOM 1506 C HIS A 98 -0.990 7.369 -6.019 1.00 0.21 C ATOM 1507 O HIS A 98 -0.224 6.620 -6.617 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.093 9.184 -7.745 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.494 9.021 -8.250 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.474 9.974 -8.065 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.077 8.017 -8.947 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.595 9.563 -8.627 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.380 8.381 -9.172 1.00 1.09 N ATOM 0 H HIS A 98 1.159 8.916 -6.161 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.747 9.351 -5.717 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.768 10.209 -7.927 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.432 8.534 -8.318 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.604 7.100 -9.266 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.530 10.103 -8.639 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.071 7.827 -9.679 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.889 6.937 -5.145 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.013 5.522 -4.822 1.00 0.22 C ATOM 1524 C HIS A 99 -3.363 4.970 -5.262 1.00 0.21 C ATOM 1525 O HIS A 99 -4.407 5.401 -4.774 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.833 5.313 -3.314 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.382 3.930 -2.934 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.058 3.653 -2.685 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.108 2.797 -2.764 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.009 2.369 -2.370 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.224 1.809 -2.406 1.00 0.49 N ATOM 0 H HIS A 99 -2.541 7.544 -4.648 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.234 4.983 -5.361 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.106 6.035 -2.942 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.778 5.525 -2.814 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.176 2.692 -2.887 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.897 1.839 -2.116 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.450 0.835 -2.206 1.00 0.49 H new ATOM 1539 N THR A 100 -3.334 4.044 -6.207 1.00 0.22 N ATOM 1540 CA THR A 100 -4.542 3.410 -6.698 1.00 0.22 C ATOM 1541 C THR A 100 -4.456 1.896 -6.533 1.00 0.23 C ATOM 1542 O THR A 100 -3.476 1.275 -6.946 1.00 0.31 O ATOM 1543 CB THR A 100 -4.789 3.742 -8.182 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.574 3.590 -8.930 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.296 5.161 -8.342 1.00 0.24 C ATOM 0 H THR A 100 -2.477 3.714 -6.651 1.00 0.22 H new ATOM 0 HA THR A 100 -5.373 3.797 -6.109 1.00 0.22 H new ATOM 0 HB THR A 100 -5.544 3.052 -8.559 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.741 3.801 -9.872 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.463 5.371 -9.399 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.233 5.276 -7.797 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.558 5.858 -7.946 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.476 1.308 -5.931 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.513 -0.128 -5.724 1.00 0.23 C ATOM 1555 C ALA A 101 -6.666 -0.741 -6.508 1.00 0.22 C ATOM 1556 O ALA A 101 -7.767 -0.186 -6.530 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.650 -0.439 -4.245 1.00 0.26 C ATOM 0 H ALA A 101 -6.292 1.806 -5.576 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.580 -0.562 -6.084 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.677 -1.519 -4.101 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.800 -0.022 -3.705 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.572 0.001 -3.865 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.424 -1.882 -7.144 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.453 -2.543 -7.939 1.00 0.23 C ATOM 1565 C GLU A 102 -7.185 -4.038 -8.058 1.00 0.24 C ATOM 1566 O GLU A 102 -6.182 -4.543 -7.552 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.525 -1.919 -9.337 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.307 -2.219 -10.197 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.401 -1.591 -11.570 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -7.024 -2.202 -12.461 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -5.881 -0.477 -11.763 1.00 1.18 O ATOM 0 H GLU A 102 -5.527 -2.367 -7.125 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.407 -2.405 -7.430 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.418 -2.285 -9.844 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.634 -0.839 -9.239 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.412 -1.854 -9.694 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.196 -3.298 -10.301 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.079 -4.729 -8.753 1.00 0.27 N ATOM 1579 CA ILE A 103 -7.971 -6.161 -8.952 1.00 0.29 C ATOM 1580 C ILE A 103 -7.797 -6.462 -10.430 1.00 0.31 C ATOM 1581 O ILE A 103 -8.711 -6.259 -11.226 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.220 -6.912 -8.434 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.438 -6.648 -6.939 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.087 -8.406 -8.700 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.322 -7.166 -6.055 1.00 0.37 C ATOM 0 H ILE A 103 -8.898 -4.309 -9.193 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.105 -6.504 -8.386 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.091 -6.538 -8.972 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.545 -5.575 -6.781 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.376 -7.110 -6.631 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.973 -8.922 -8.330 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.988 -8.577 -9.772 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.204 -8.789 -8.189 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.549 -6.941 -5.013 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.228 -8.245 -6.182 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.384 -6.685 -6.334 1.00 0.37 H new ATOM 1597 N SER A 104 -6.619 -6.924 -10.793 1.00 0.34 N ATOM 1598 CA SER A 104 -6.325 -7.262 -12.172 1.00 0.38 C ATOM 1599 C SER A 104 -5.954 -8.732 -12.281 1.00 0.48 C ATOM 1600 O SER A 104 -4.937 -9.163 -11.739 1.00 0.88 O ATOM 1601 CB SER A 104 -5.194 -6.380 -12.694 1.00 0.55 C ATOM 1602 OG SER A 104 -5.617 -5.036 -12.815 1.00 1.37 O ATOM 0 H SER A 104 -5.844 -7.075 -10.148 1.00 0.34 H new ATOM 0 HA SER A 104 -7.212 -7.085 -12.781 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.341 -6.437 -12.018 1.00 0.55 H new ATOM 0 HB3 SER A 104 -4.858 -6.748 -13.663 1.00 0.55 H new ATOM 0 HG SER A 104 -4.876 -4.489 -13.149 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.806 -9.500 -12.949 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.557 -10.917 -13.112 1.00 0.64 C ATOM 1610 C GLY A 105 -6.721 -11.664 -11.809 1.00 0.63 C ATOM 1611 O GLY A 105 -6.096 -12.700 -11.589 1.00 0.96 O ATOM 0 H GLY A 105 -7.667 -9.164 -13.381 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.243 -11.325 -13.855 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.547 -11.068 -13.494 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.573 -11.131 -10.942 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.801 -11.745 -9.649 1.00 0.50 C ATOM 1617 C GLY A 106 -6.662 -11.459 -8.688 1.00 0.44 C ATOM 1618 O GLY A 106 -6.463 -12.177 -7.709 1.00 0.48 O ATOM 0 H GLY A 106 -8.111 -10.282 -11.113 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.735 -11.373 -9.228 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.913 -12.822 -9.771 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.910 -10.406 -8.976 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.781 -10.017 -8.148 1.00 0.35 C ATOM 1624 C LYS A 107 -4.847 -8.542 -7.786 1.00 0.32 C ATOM 1625 O LYS A 107 -5.249 -7.710 -8.598 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.469 -10.300 -8.881 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.913 -11.684 -8.619 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.881 -12.079 -9.660 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.616 -13.572 -9.632 1.00 0.75 C ATOM 1630 NZ LYS A 107 -0.379 -13.930 -10.370 1.00 1.22 N ATOM 0 H LYS A 107 -6.065 -9.803 -9.784 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.824 -10.603 -7.230 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.628 -10.179 -9.952 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.729 -9.558 -8.582 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.460 -11.713 -7.628 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.727 -12.409 -8.619 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.230 -11.788 -10.651 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -0.952 -11.539 -9.478 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -1.531 -13.906 -8.598 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.464 -14.099 -10.069 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.556 -14.769 -10.959 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -0.094 -13.135 -10.977 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 0.382 -14.138 -9.692 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.443 -8.234 -6.568 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.428 -6.866 -6.080 1.00 0.28 C ATOM 1646 C LEU A 108 -3.166 -6.186 -6.572 1.00 0.27 C ATOM 1647 O LEU A 108 -2.059 -6.661 -6.323 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.474 -6.874 -4.540 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.729 -5.534 -3.831 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.481 -4.667 -3.825 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.896 -4.789 -4.462 1.00 0.76 C ATOM 0 H LEU A 108 -4.117 -8.922 -5.890 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.296 -6.320 -6.451 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.252 -7.572 -4.230 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.526 -7.272 -4.177 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.990 -5.758 -2.797 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.694 -3.727 -3.317 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.678 -5.188 -3.303 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -3.174 -4.464 -4.851 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -6.051 -3.846 -3.938 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.676 -4.590 -5.511 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.798 -5.397 -4.389 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.334 -5.101 -7.293 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.205 -4.359 -7.808 1.00 0.29 C ATOM 1665 C VAL A 109 -2.313 -2.896 -7.407 1.00 0.29 C ATOM 1666 O VAL A 109 -3.283 -2.215 -7.739 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.076 -4.498 -9.345 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.409 -4.247 -10.031 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.999 -3.567 -9.892 1.00 0.32 C ATOM 0 H VAL A 109 -4.245 -4.711 -7.537 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.301 -4.781 -7.370 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.775 -5.523 -9.561 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.289 -4.351 -11.109 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.143 -4.971 -9.676 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.753 -3.239 -9.800 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.930 -3.686 -10.973 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.256 -2.534 -9.656 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.039 -3.814 -9.438 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.333 -2.437 -6.650 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.303 -1.056 -6.204 1.00 0.30 C ATOM 1681 C GLU A 110 -0.320 -0.264 -7.048 1.00 0.28 C ATOM 1682 O GLU A 110 0.796 -0.720 -7.309 1.00 0.34 O ATOM 1683 CB GLU A 110 -0.896 -0.950 -4.730 1.00 0.34 C ATOM 1684 CG GLU A 110 -1.738 -1.785 -3.783 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.242 -1.706 -2.351 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.682 -0.800 -1.617 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -0.397 -2.547 -1.963 1.00 1.45 O ATOM 0 H GLU A 110 -0.546 -3.002 -6.331 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.308 -0.650 -6.315 1.00 0.30 H new ATOM 0 HB2 GLU A 110 0.147 -1.252 -4.631 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.955 0.094 -4.424 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -2.773 -1.446 -3.826 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -1.729 -2.824 -4.112 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.747 0.899 -7.499 1.00 0.26 N ATOM 1695 CA ILE A 111 0.105 1.768 -8.287 1.00 0.24 C ATOM 1696 C ILE A 111 0.359 3.044 -7.498 1.00 0.25 C ATOM 1697 O ILE A 111 -0.582 3.710 -7.067 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.510 2.112 -9.667 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.692 0.847 -10.514 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.375 3.107 -10.406 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.051 0.199 -10.372 1.00 0.37 C ATOM 0 H ILE A 111 -1.684 1.266 -7.332 1.00 0.26 H new ATOM 0 HA ILE A 111 1.039 1.241 -8.483 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.489 2.561 -9.499 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.529 1.098 -11.562 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.074 0.123 -10.236 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.069 3.340 -11.374 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.464 4.021 -9.818 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.364 2.673 -10.555 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.099 -0.689 -11.003 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.211 -0.086 -9.332 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.824 0.904 -10.679 1.00 0.37 H new ATOM 1713 N SER A 112 1.627 3.355 -7.287 1.00 0.23 N ATOM 1714 CA SER A 112 2.015 4.535 -6.534 1.00 0.24 C ATOM 1715 C SER A 112 2.891 5.442 -7.378 1.00 0.22 C ATOM 1716 O SER A 112 3.998 5.072 -7.759 1.00 0.25 O ATOM 1717 CB SER A 112 2.763 4.126 -5.264 1.00 0.28 C ATOM 1718 OG SER A 112 2.157 3.001 -4.650 1.00 0.37 O ATOM 0 H SER A 112 2.411 2.801 -7.630 1.00 0.23 H new ATOM 0 HA SER A 112 1.112 5.080 -6.258 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.800 3.895 -5.508 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.779 4.961 -4.564 1.00 0.28 H new ATOM 0 HG SER A 112 1.358 3.287 -4.159 1.00 0.37 H new ATOM 1724 N THR A 113 2.382 6.613 -7.691 1.00 0.22 N ATOM 1725 CA THR A 113 3.128 7.571 -8.478 1.00 0.22 C ATOM 1726 C THR A 113 3.727 8.643 -7.582 1.00 0.23 C ATOM 1727 O THR A 113 3.045 9.177 -6.705 1.00 0.26 O ATOM 1728 CB THR A 113 2.233 8.239 -9.537 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.068 7.435 -9.767 1.00 0.27 O ATOM 1730 CG2 THR A 113 2.998 8.424 -10.839 1.00 0.27 C ATOM 0 H THR A 113 1.452 6.926 -7.412 1.00 0.22 H new ATOM 0 HA THR A 113 3.927 7.029 -8.984 1.00 0.22 H new ATOM 0 HB THR A 113 1.928 9.219 -9.169 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.501 7.866 -10.440 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.351 8.898 -11.577 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.869 9.055 -10.663 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.323 7.452 -11.211 1.00 0.27 H new ATOM 1738 N SER A 114 5.004 8.924 -7.779 1.00 0.25 N ATOM 1739 CA SER A 114 5.700 9.939 -7.006 1.00 0.30 C ATOM 1740 C SER A 114 6.733 10.634 -7.876 1.00 0.29 C ATOM 1741 O SER A 114 7.691 10.007 -8.337 1.00 0.30 O ATOM 1742 CB SER A 114 6.363 9.321 -5.778 1.00 0.38 C ATOM 1743 OG SER A 114 5.401 8.679 -4.967 1.00 1.43 O ATOM 0 H SER A 114 5.585 8.458 -8.476 1.00 0.25 H new ATOM 0 HA SER A 114 4.974 10.676 -6.663 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.122 8.603 -6.090 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.873 10.095 -5.204 1.00 0.38 H new ATOM 0 HG SER A 114 5.260 9.202 -4.150 1.00 1.43 H new ATOM 1749 N SER A 115 6.513 11.918 -8.126 1.00 0.37 N ATOM 1750 CA SER A 115 7.409 12.723 -8.952 1.00 0.47 C ATOM 1751 C SER A 115 7.501 12.169 -10.375 1.00 0.47 C ATOM 1752 O SER A 115 8.513 12.336 -11.059 1.00 0.57 O ATOM 1753 CB SER A 115 8.799 12.797 -8.315 1.00 0.54 C ATOM 1754 OG SER A 115 8.724 13.278 -6.982 1.00 0.63 O ATOM 0 H SER A 115 5.710 12.432 -7.763 1.00 0.37 H new ATOM 0 HA SER A 115 6.996 13.730 -9.012 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.259 11.809 -8.323 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.439 13.452 -8.906 1.00 0.54 H new ATOM 0 HG SER A 115 9.624 13.315 -6.596 1.00 0.63 H new ATOM 1760 N GLY A 116 6.440 11.504 -10.812 1.00 0.42 N ATOM 1761 CA GLY A 116 6.413 10.936 -12.143 1.00 0.46 C ATOM 1762 C GLY A 116 6.819 9.475 -12.157 1.00 0.40 C ATOM 1763 O GLY A 116 6.596 8.777 -13.146 1.00 0.46 O ATOM 0 H GLY A 116 5.594 11.348 -10.264 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.410 11.035 -12.557 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.082 11.502 -12.790 1.00 0.46 H new ATOM 1767 N VAL A 117 7.418 9.012 -11.064 1.00 0.33 N ATOM 1768 CA VAL A 117 7.841 7.623 -10.954 1.00 0.29 C ATOM 1769 C VAL A 117 6.652 6.746 -10.586 1.00 0.28 C ATOM 1770 O VAL A 117 5.989 6.977 -9.577 1.00 0.29 O ATOM 1771 CB VAL A 117 8.958 7.433 -9.906 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.430 5.986 -9.872 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.122 8.362 -10.194 1.00 0.53 C ATOM 0 H VAL A 117 7.621 9.581 -10.242 1.00 0.33 H new ATOM 0 HA VAL A 117 8.240 7.330 -11.925 1.00 0.29 H new ATOM 0 HB VAL A 117 8.549 7.682 -8.927 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.217 5.877 -9.126 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.594 5.336 -9.614 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.818 5.707 -10.852 1.00 0.52 H new ATOM 0 HG21 VAL A 117 10.900 8.214 -9.445 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.525 8.145 -11.183 1.00 0.53 H new ATOM 0 HG23 VAL A 117 9.779 9.396 -10.161 1.00 0.53 H new ATOM 1783 N VAL A 118 6.375 5.755 -11.419 1.00 0.27 N ATOM 1784 CA VAL A 118 5.260 4.856 -11.182 1.00 0.27 C ATOM 1785 C VAL A 118 5.737 3.548 -10.570 1.00 0.25 C ATOM 1786 O VAL A 118 6.550 2.833 -11.155 1.00 0.29 O ATOM 1787 CB VAL A 118 4.489 4.549 -12.484 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.254 3.715 -12.190 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.109 5.839 -13.197 1.00 0.86 C ATOM 0 H VAL A 118 6.908 5.554 -12.265 1.00 0.27 H new ATOM 0 HA VAL A 118 4.590 5.362 -10.487 1.00 0.27 H new ATOM 0 HB VAL A 118 5.141 3.974 -13.142 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.724 3.509 -13.120 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.552 2.775 -11.726 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.598 4.262 -11.512 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.566 5.603 -14.112 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.476 6.442 -12.546 1.00 0.86 H new ATOM 0 HG23 VAL A 118 5.012 6.398 -13.444 1.00 0.86 H new ATOM 1799 N TYR A 119 5.244 3.265 -9.382 1.00 0.22 N ATOM 1800 CA TYR A 119 5.579 2.041 -8.675 1.00 0.21 C ATOM 1801 C TYR A 119 4.389 1.092 -8.714 1.00 0.22 C ATOM 1802 O TYR A 119 3.262 1.495 -8.430 1.00 0.29 O ATOM 1803 CB TYR A 119 5.959 2.358 -7.226 1.00 0.22 C ATOM 1804 CG TYR A 119 5.962 1.155 -6.307 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.835 0.094 -6.513 1.00 1.21 C ATOM 1806 CD2 TYR A 119 5.081 1.078 -5.234 1.00 1.17 C ATOM 1807 CE1 TYR A 119 6.827 -1.004 -5.678 1.00 1.22 C ATOM 1808 CE2 TYR A 119 5.069 -0.020 -4.396 1.00 1.20 C ATOM 1809 CZ TYR A 119 5.943 -1.055 -4.622 1.00 0.34 C ATOM 1810 OH TYR A 119 5.926 -2.157 -3.796 1.00 0.43 O ATOM 0 H TYR A 119 4.600 3.875 -8.878 1.00 0.22 H new ATOM 0 HA TYR A 119 6.432 1.565 -9.159 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.949 2.813 -7.213 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.263 3.099 -6.834 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.530 0.129 -7.339 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.394 1.891 -5.053 1.00 1.17 H new ATOM 0 HE1 TYR A 119 7.511 -1.821 -5.851 1.00 1.22 H new ATOM 0 HE2 TYR A 119 4.377 -0.064 -3.568 1.00 1.20 H new ATOM 0 HH TYR A 119 6.311 -2.925 -4.267 1.00 0.43 H new ATOM 1820 N LYS A 120 4.629 -0.152 -9.099 1.00 0.21 N ATOM 1821 CA LYS A 120 3.572 -1.145 -9.172 1.00 0.23 C ATOM 1822 C LYS A 120 3.897 -2.360 -8.310 1.00 0.24 C ATOM 1823 O LYS A 120 5.047 -2.781 -8.217 1.00 0.29 O ATOM 1824 CB LYS A 120 3.370 -1.583 -10.616 1.00 0.28 C ATOM 1825 CG LYS A 120 2.821 -0.491 -11.511 1.00 0.31 C ATOM 1826 CD LYS A 120 3.135 -0.772 -12.967 1.00 0.46 C ATOM 1827 CE LYS A 120 2.193 -0.034 -13.900 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.691 -0.049 -15.299 1.00 1.17 N ATOM 0 H LYS A 120 5.551 -0.497 -9.366 1.00 0.21 H new ATOM 0 HA LYS A 120 2.656 -0.691 -8.795 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.323 -1.927 -11.019 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.690 -2.434 -10.637 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.742 -0.414 -11.376 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.248 0.470 -11.222 1.00 0.31 H new ATOM 0 HD2 LYS A 120 4.162 -0.477 -13.180 1.00 0.46 H new ATOM 0 HD3 LYS A 120 3.065 -1.844 -13.153 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.205 -0.493 -13.859 1.00 0.87 H new ATOM 0 HE3 LYS A 120 2.080 0.997 -13.564 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.024 0.464 -15.910 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 3.623 0.411 -15.341 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.775 -1.032 -15.627 1.00 1.17 H new ATOM 1842 N ARG A 121 2.878 -2.912 -7.679 1.00 0.25 N ATOM 1843 CA ARG A 121 3.046 -4.085 -6.837 1.00 0.28 C ATOM 1844 C ARG A 121 1.839 -4.992 -6.967 1.00 0.28 C ATOM 1845 O ARG A 121 0.701 -4.531 -6.921 1.00 0.34 O ATOM 1846 CB ARG A 121 3.236 -3.677 -5.375 1.00 0.36 C ATOM 1847 CG ARG A 121 2.498 -2.398 -5.007 1.00 0.59 C ATOM 1848 CD ARG A 121 2.150 -2.348 -3.532 1.00 0.84 C ATOM 1849 NE ARG A 121 3.300 -2.633 -2.678 1.00 1.20 N ATOM 1850 CZ ARG A 121 3.199 -2.921 -1.385 1.00 1.59 C ATOM 1851 NH1 ARG A 121 1.999 -2.955 -0.803 1.00 1.88 N ATOM 1852 NH2 ARG A 121 4.295 -3.183 -0.679 1.00 2.48 N ATOM 0 H ARG A 121 1.920 -2.566 -7.733 1.00 0.25 H new ATOM 0 HA ARG A 121 3.936 -4.622 -7.165 1.00 0.28 H new ATOM 0 HB2 ARG A 121 2.890 -4.486 -4.731 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.300 -3.544 -5.177 1.00 0.36 H new ATOM 0 HG2 ARG A 121 3.115 -1.537 -5.263 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.585 -2.323 -5.598 1.00 0.59 H new ATOM 0 HD2 ARG A 121 1.755 -1.362 -3.288 1.00 0.84 H new ATOM 0 HD3 ARG A 121 1.359 -3.068 -3.324 1.00 0.84 H new ATOM 0 HE ARG A 121 4.230 -2.610 -3.096 1.00 1.20 H new ATOM 0 HH11 ARG A 121 1.161 -2.760 -1.351 1.00 1.88 H new ATOM 0 HH12 ARG A 121 1.920 -3.176 0.190 1.00 1.88 H new ATOM 0 HH21 ARG A 121 5.209 -3.162 -1.130 1.00 2.48 H new ATOM 0 HH22 ARG A 121 4.221 -3.404 0.314 1.00 2.48 H new ATOM 1866 N THR A 122 2.092 -6.275 -7.138 1.00 0.27 N ATOM 1867 CA THR A 122 1.037 -7.253 -7.277 1.00 0.27 C ATOM 1868 C THR A 122 1.008 -8.179 -6.076 1.00 0.25 C ATOM 1869 O THR A 122 2.039 -8.722 -5.673 1.00 0.29 O ATOM 1870 CB THR A 122 1.239 -8.088 -8.543 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.770 -7.260 -9.585 1.00 0.43 O ATOM 1872 CG2 THR A 122 -0.071 -8.704 -8.992 1.00 0.34 C ATOM 0 H THR A 122 3.033 -6.666 -7.184 1.00 0.27 H new ATOM 0 HA THR A 122 0.091 -6.715 -7.345 1.00 0.27 H new ATOM 0 HB THR A 122 1.941 -8.892 -8.323 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.900 -7.796 -10.395 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.094 -9.294 -9.894 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.459 -9.348 -8.203 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.791 -7.914 -9.202 1.00 0.34 H new ATOM 1880 N SER A 123 -0.169 -8.344 -5.509 1.00 0.24 N ATOM 1881 CA SER A 123 -0.351 -9.206 -4.362 1.00 0.23 C ATOM 1882 C SER A 123 -1.439 -10.234 -4.649 1.00 0.23 C ATOM 1883 O SER A 123 -2.503 -9.897 -5.172 1.00 0.25 O ATOM 1884 CB SER A 123 -0.710 -8.371 -3.131 1.00 0.25 C ATOM 1885 OG SER A 123 0.068 -7.184 -3.078 1.00 0.38 O ATOM 0 H SER A 123 -1.022 -7.886 -5.829 1.00 0.24 H new ATOM 0 HA SER A 123 0.581 -9.735 -4.162 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.769 -8.115 -3.157 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.546 -8.959 -2.228 1.00 0.25 H new ATOM 0 HG SER A 123 -0.180 -6.666 -2.284 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.161 -11.487 -4.334 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.124 -12.553 -4.559 1.00 0.25 C ATOM 1893 C LYS A 124 -3.153 -12.580 -3.440 1.00 0.22 C ATOM 1894 O LYS A 124 -2.875 -12.146 -2.323 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.417 -13.906 -4.665 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.585 -14.246 -3.443 1.00 0.31 C ATOM 1897 CD LYS A 124 0.054 -15.621 -3.560 1.00 0.43 C ATOM 1898 CE LYS A 124 1.394 -15.689 -2.837 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.498 -15.087 -3.638 1.00 1.45 N ATOM 0 H LYS A 124 -0.279 -11.792 -3.923 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.637 -12.359 -5.501 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.162 -14.687 -4.817 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.774 -13.904 -5.545 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.193 -13.494 -3.312 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.214 -14.212 -2.554 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.620 -16.371 -3.146 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.197 -15.867 -4.612 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.316 -15.170 -1.882 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.633 -16.729 -2.616 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.373 -15.629 -3.486 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.248 -15.111 -4.647 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.645 -14.101 -3.341 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.333 -13.095 -3.744 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.409 -13.170 -2.767 1.00 0.23 C ATOM 1915 C LYS A 125 -5.504 -14.576 -2.197 1.00 0.25 C ATOM 1916 O LYS A 125 -5.732 -15.540 -2.928 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.749 -12.771 -3.400 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.732 -12.143 -2.418 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.306 -13.161 -1.443 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.682 -13.635 -1.876 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.567 -12.503 -2.268 1.00 1.45 N ATOM 0 H LYS A 125 -4.571 -13.469 -4.663 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.186 -12.472 -1.960 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.562 -12.068 -4.211 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.208 -13.655 -3.844 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.230 -11.353 -1.860 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.546 -11.675 -2.972 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.633 -14.015 -1.369 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.369 -12.718 -0.449 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.580 -14.323 -2.716 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.146 -14.192 -1.062 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.559 -12.814 -2.244 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.436 -11.713 -1.604 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.325 -12.190 -3.230 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.321 -14.690 -0.893 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.392 -15.981 -0.231 1.00 0.28 C ATOM 1937 C ILE A 126 -6.322 -15.894 0.975 1.00 0.30 C ATOM 1938 O ILE A 126 -6.690 -14.794 1.402 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.993 -16.482 0.225 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.865 -15.767 -0.533 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.876 -17.982 0.018 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.353 -14.531 0.167 1.00 0.27 C ATOM 0 H ILE A 126 -5.122 -13.905 -0.272 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.782 -16.698 -0.953 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.891 -16.253 1.286 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.038 -16.462 -0.676 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.224 -15.490 -1.524 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.891 -18.318 0.342 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.643 -18.491 0.602 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.010 -18.215 -1.038 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.558 -14.079 -0.427 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.168 -13.817 0.286 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.963 -14.803 1.148 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.726 -17.041 1.500 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.607 -17.093 2.655 1.00 0.44 C ATOM 1956 C ALA A 127 -7.421 -18.413 3.386 1.00 0.67 C ATOM 1957 O ALA A 127 -7.006 -19.393 2.736 1.00 1.27 O ATOM 1958 CB ALA A 127 -9.056 -16.909 2.236 1.00 0.46 C ATOM 0 H ALA A 127 -6.454 -17.956 1.140 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.349 -16.278 3.331 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.697 -16.951 3.116 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.174 -15.942 1.748 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.338 -17.702 1.543 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.754 0.013 -0.547 1.00 0.35 C HETATM 1966 C2 CHO A 200 5.331 -0.126 0.000 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.590 1.209 -0.098 1.00 0.45 C HETATM 1968 O3 CHO A 200 3.279 1.059 0.452 1.00 0.51 O HETATM 1969 C4 CHO A 200 5.352 2.269 0.699 1.00 0.41 C HETATM 1970 C5 CHO A 200 6.777 2.408 0.154 1.00 0.37 C HETATM 1971 C6 CHO A 200 7.511 3.494 0.944 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.641 3.062 2.405 1.00 0.33 C HETATM 1973 O7 CHO A 200 6.341 2.915 2.980 1.00 0.37 O HETATM 1974 C8 CHO A 200 8.383 1.729 2.502 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.654 0.651 1.697 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.528 1.077 0.234 1.00 0.31 C HETATM 1977 C11 CHO A 200 8.377 -0.693 1.820 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.524 -1.119 3.284 1.00 0.23 C HETATM 1979 C13 CHO A 200 9.265 -0.022 4.051 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.464 1.276 3.960 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.295 2.173 4.877 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.579 1.249 6.067 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.230 -0.160 5.574 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.689 0.184 3.527 1.00 0.22 C HETATM 1985 C19 CHO A 200 8.921 1.240 -0.372 1.00 0.32 C HETATM 1986 C20 CHO A 200 10.191 -1.215 6.120 1.00 0.27 C HETATM 1987 C21 CHO A 200 9.918 -2.586 5.493 1.00 0.31 C HETATM 1988 C22 CHO A 200 10.054 -1.287 7.641 1.00 0.34 C HETATM 1989 C23 CHO A 200 10.959 -2.369 8.234 1.00 0.41 C HETATM 1990 C24 CHO A 200 10.777 -2.437 9.751 1.00 0.54 C HETATM 1991 O24 CHO A 200 9.928 -1.751 10.313 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.590 -3.286 10.372 1.00 0.47 N HETATM 1993 C26 CHO A 200 11.554 -3.475 11.830 1.00 0.58 C HETATM 1994 C27 CHO A 200 12.930 -3.155 12.419 1.00 1.20 C HETATM 1995 OT1 CHO A 200 12.965 -2.735 13.595 1.00 2.01 O HETATM 1996 OT2 CHO A 200 13.922 -3.340 11.684 1.00 1.99 O HETATM 0 H262 CHO A 200 10.797 -2.828 12.273 1.00 0.58 H new HETATM 0 H261 CHO A 200 11.274 -4.501 12.068 1.00 0.58 H new HETATM 0 H232 CHO A 200 10.723 -3.335 7.788 1.00 0.41 H new HETATM 0 H231 CHO A 200 12.000 -2.154 7.995 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.307 -0.320 8.076 1.00 0.34 H new HETATM 0 H221 CHO A 200 9.017 -1.494 7.905 1.00 0.34 H new HETATM 0 H213 CHO A 200 8.897 -2.893 5.720 1.00 0.31 H new HETATM 0 H212 CHO A 200 10.046 -2.524 4.412 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.616 -3.318 5.900 1.00 0.31 H new HETATM 0 H193 CHO A 200 9.454 0.291 -0.319 1.00 0.32 H new HETATM 0 H192 CHO A 200 8.831 1.548 -1.414 1.00 0.32 H new HETATM 0 H191 CHO A 200 9.473 1.998 0.184 1.00 0.32 H new HETATM 0 H183 CHO A 200 11.253 -0.743 3.631 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.652 0.470 2.476 1.00 0.22 H new HETATM 0 H181 CHO A 200 11.177 0.972 4.101 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.623 1.312 6.374 1.00 0.24 H new HETATM 0 H161 CHO A 200 8.976 1.524 6.932 1.00 0.24 H new HETATM 0 H152 CHO A 200 10.213 2.509 4.395 1.00 0.25 H new HETATM 0 H151 CHO A 200 8.747 3.066 5.177 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.543 -1.290 3.726 1.00 0.23 H new HETATM 0 H121 CHO A 200 9.072 -2.059 3.349 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.825 -1.456 1.272 1.00 0.25 H new HETATM 0 H111 CHO A 200 9.363 -0.621 1.360 1.00 0.25 H new HETATM 0 HOT CHO A 200 14.702 -2.888 12.068 1.00 1.99 H new HETATM 0 HO7 CHO A 200 5.804 3.710 2.782 1.00 0.37 H new HETATM 0 HO3 CHO A 200 2.800 1.912 0.393 1.00 0.51 H new HETATM 0 HN CHO A 200 12.259 -3.823 9.820 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.650 0.529 2.103 1.00 0.27 H new HETATM 0 H8 CHO A 200 9.386 1.871 2.100 1.00 0.25 H new HETATM 0 H7 CHO A 200 8.202 3.825 2.945 1.00 0.33 H new HETATM 0 H62 CHO A 200 8.498 3.666 0.515 1.00 0.37 H new HETATM 0 H61 CHO A 200 6.967 4.436 0.879 1.00 0.37 H new HETATM 0 H5 CHO A 200 6.731 2.693 -0.897 1.00 0.37 H new HETATM 0 H42 CHO A 200 4.834 3.226 0.635 1.00 0.41 H new HETATM 0 H41 CHO A 200 5.382 1.992 1.753 1.00 0.41 H new HETATM 0 H3 CHO A 200 4.520 1.515 -1.142 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.792 -0.890 -0.560 1.00 0.40 H new HETATM 0 H21 CHO A 200 5.364 -0.456 1.038 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.210 -0.929 5.861 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.259 -0.512 5.924 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.418 1.241 4.263 1.00 0.23 H new HETATM 0 H12 CHO A 200 7.271 -0.944 -0.479 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.719 0.282 -1.603 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.190 4.351 0.305 1.00 0.22 C HETATM 2040 C2 CHO A 201 -4.985 3.069 -0.502 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.470 1.855 0.291 1.00 0.29 C HETATM 2042 O3 CHO A 201 -5.245 0.670 -0.476 1.00 0.35 O HETATM 2043 C4 CHO A 201 -4.690 1.766 1.606 1.00 0.29 C HETATM 2044 C5 CHO A 201 -4.902 3.048 2.417 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.159 2.938 3.751 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.648 2.890 3.508 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.316 1.700 2.788 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.192 4.111 2.705 1.00 0.21 C HETATM 2049 C9 CHO A 201 -2.931 4.165 1.365 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.433 4.278 1.632 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.449 5.349 0.521 1.00 0.21 C HETATM 2052 C12 CHO A 201 -0.932 5.343 0.334 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.274 5.332 1.712 1.00 0.20 C HETATM 2054 C14 CHO A 201 -0.689 4.055 2.437 1.00 0.23 C HETATM 2055 C15 CHO A 201 0.192 4.170 3.678 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.555 4.418 3.022 1.00 0.27 C HETATM 2057 C17 CHO A 201 1.245 5.149 1.711 1.00 0.24 C HETATM 2058 C18 CHO A 201 -0.687 6.554 2.535 1.00 0.19 C HETATM 2059 C19 CHO A 201 -4.702 5.542 2.452 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.985 6.484 1.609 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.596 7.235 0.335 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.496 6.253 1.659 1.00 0.28 C HETATM 2063 C23 CHO A 201 4.272 7.572 1.591 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.771 7.327 1.784 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.606 8.103 1.316 1.00 0.67 O HETATM 2066 N25 CHO A 201 6.075 6.235 2.475 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.467 5.850 2.761 1.00 0.33 C HETATM 2068 C27 CHO A 201 7.777 6.134 4.230 1.00 0.50 C HETATM 2069 OT1 CHO A 201 7.422 5.277 5.067 1.00 1.23 O HETATM 2070 OT2 CHO A 201 8.358 7.208 4.488 1.00 1.08 O HETATM 0 H262 CHO A 201 7.616 4.792 2.544 1.00 0.33 H new HETATM 0 H261 CHO A 201 8.150 6.407 2.119 1.00 0.33 H new HETATM 0 H232 CHO A 201 4.098 8.053 0.629 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.908 8.254 2.359 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.754 5.726 2.578 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.794 5.612 0.829 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.849 6.630 -0.536 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.524 7.431 0.341 1.00 0.27 H new HETATM 0 H211 CHO A 201 2.138 8.180 0.290 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.367 6.416 1.894 1.00 0.22 H new HETATM 0 H192 CHO A 201 -5.770 5.626 2.651 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.161 5.485 3.396 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.385 7.463 2.014 1.00 0.19 H new HETATM 0 H182 CHO A 201 -1.769 6.555 2.668 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.202 6.517 3.510 1.00 0.19 H new HETATM 0 H162 CHO A 201 2.198 5.019 3.665 1.00 0.27 H new HETATM 0 H161 CHO A 201 2.078 3.480 2.835 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.112 4.990 4.329 1.00 0.26 H new HETATM 0 H151 CHO A 201 0.180 3.263 4.282 1.00 0.26 H new HETATM 0 H122 CHO A 201 -0.625 4.469 -0.240 1.00 0.22 H new HETATM 0 H121 CHO A 201 -0.616 6.221 -0.230 1.00 0.22 H new HETATM 0 H112 CHO A 201 -2.934 5.319 -0.455 1.00 0.21 H new HETATM 0 H111 CHO A 201 -2.751 6.281 0.999 1.00 0.21 H new HETATM 0 HOT CHO A 201 9.028 7.058 5.187 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -1.411 1.413 3.030 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -4.784 0.005 0.077 1.00 0.35 H new HETATM 0 HN CHO A 201 5.319 5.643 2.819 1.00 0.31 H new HETATM 0 H9 CHO A 201 -2.724 3.253 0.805 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.419 5.002 3.291 1.00 0.21 H new HETATM 0 H7 CHO A 201 -2.141 2.894 4.473 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.406 3.789 4.385 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.479 2.041 4.282 1.00 0.28 H new HETATM 0 H5 CHO A 201 -5.967 3.170 2.612 1.00 0.25 H new HETATM 0 H42 CHO A 201 -5.023 0.901 2.180 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.629 1.624 1.402 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.534 1.956 0.504 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.527 3.135 -1.445 1.00 0.26 H new HETATM 0 H21 CHO A 201 -3.930 2.952 -0.749 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.695 7.101 2.459 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.582 4.582 0.843 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.554 3.104 1.922 1.00 0.23 H new HETATM 0 H12 CHO A 201 -4.843 5.209 -0.271 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.253 4.502 0.494 1.00 0.22 H new