USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot -33:sc= 1.26 USER MOD Set 1.2: A 79 TYR OH : rot -8:sc= 2 USER MOD Set 1.3: A 103 LYS NZ :NH3+ -136:sc= 0.986 (180deg=0) USER MOD Set 2.1: A 78 GLN : amide:sc= 0.396 K(o=1.1,f=0.61) USER MOD Set 2.2: A 95 SER OG : rot -156:sc= 0.726 USER MOD Set 3.1: A 30 CYS SG : rot 180:sc= -0.359 USER MOD Set 3.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 49 ASN : amide:sc= -0.039 K(o=-0.4,f=-1.5!) USER MOD Set 4.1: A 11 GLN : amide:sc= 0.117 K(o=1.3,f=-4.1) USER MOD Set 4.2: A 107 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -67:sc= 0.222 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.724! C(o=-0.72!,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 17:sc= 1.02 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -112:sc= 0.803 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -13:sc= 0.151 USER MOD Single : A 60 SER OG : rot 157:sc= 1.29 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.094 X(o=-0.094,f=-0.4) USER MOD Single : A 75 CYS SG : rot 180:sc= 0.214 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.9) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= 1.08 (180deg=0.616) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0908 USER MOD Single : A 86 SER OG : rot -168:sc= 0.15 USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0.88) USER MOD Single : A 89 MET CE :methyl -137:sc= -0.0882 (180deg=-0.703) USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0497) USER MOD Single : A 93 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -2.15! C(o=-4!,f=-2.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.893 -13.767 3.114 1.00 21.13 N ATOM 2 CA GLY A 1 21.773 -13.255 2.317 1.00 70.02 C ATOM 3 C GLY A 1 22.256 -12.091 1.475 1.00 41.13 C ATOM 4 O GLY A 1 22.523 -11.020 2.020 1.00 62.12 O ATOM 0 H1 GLY A 1 22.569 -14.567 3.695 1.00 21.13 H new ATOM 0 H2 GLY A 1 23.653 -14.085 2.480 1.00 21.13 H new ATOM 0 H3 GLY A 1 23.252 -13.012 3.733 1.00 21.13 H new ATOM 0 HA2 GLY A 1 21.376 -14.043 1.677 1.00 70.02 H new ATOM 0 HA3 GLY A 1 20.961 -12.935 2.971 1.00 70.02 H new ATOM 8 N ASP A 2 22.394 -12.287 0.165 1.00 1.20 N ATOM 9 CA ASP A 2 23.179 -11.430 -0.716 1.00 25.21 C ATOM 10 C ASP A 2 22.530 -10.085 -1.028 1.00 5.20 C ATOM 11 O ASP A 2 23.053 -9.038 -0.651 1.00 24.24 O ATOM 12 CB ASP A 2 23.498 -12.207 -1.994 1.00 73.05 C ATOM 13 CG ASP A 2 24.293 -11.374 -2.992 1.00 44.33 C ATOM 14 OD1 ASP A 2 25.287 -10.732 -2.584 1.00 51.15 O ATOM 15 OD2 ASP A 2 23.957 -11.446 -4.196 1.00 2.50 O ATOM 0 H ASP A 2 21.952 -13.066 -0.323 1.00 1.20 H new ATOM 0 HA ASP A 2 24.096 -11.170 -0.187 1.00 25.21 H new ATOM 0 HB2 ASP A 2 24.063 -13.104 -1.740 1.00 73.05 H new ATOM 0 HB3 ASP A 2 22.568 -12.537 -2.458 1.00 73.05 H new ATOM 20 N GLU A 3 21.394 -10.089 -1.712 1.00 12.54 N ATOM 21 CA GLU A 3 20.777 -8.904 -2.298 1.00 45.55 C ATOM 22 C GLU A 3 19.271 -9.149 -2.361 1.00 5.50 C ATOM 23 O GLU A 3 18.766 -9.735 -3.318 1.00 3.44 O ATOM 24 CB GLU A 3 21.362 -8.663 -3.698 1.00 44.24 C ATOM 25 CG GLU A 3 20.996 -7.302 -4.294 1.00 45.34 C ATOM 26 CD GLU A 3 21.931 -6.213 -3.779 1.00 62.01 C ATOM 27 OE1 GLU A 3 23.099 -6.169 -4.222 1.00 1.31 O ATOM 28 OE2 GLU A 3 21.500 -5.349 -2.984 1.00 5.54 O ATOM 0 H GLU A 3 20.860 -10.941 -1.880 1.00 12.54 H new ATOM 0 HA GLU A 3 20.976 -8.016 -1.698 1.00 45.55 H new ATOM 0 HB2 GLU A 3 22.448 -8.747 -3.647 1.00 44.24 H new ATOM 0 HB3 GLU A 3 21.012 -9.449 -4.368 1.00 44.24 H new ATOM 0 HG2 GLU A 3 21.051 -7.350 -5.382 1.00 45.34 H new ATOM 0 HG3 GLU A 3 19.966 -7.054 -4.038 1.00 45.34 H new ATOM 35 N ASP A 4 18.567 -8.788 -1.293 1.00 2.41 N ATOM 36 CA ASP A 4 17.143 -9.096 -1.144 1.00 50.32 C ATOM 37 C ASP A 4 16.456 -8.077 -0.236 1.00 65.15 C ATOM 38 O ASP A 4 15.511 -8.419 0.474 1.00 70.03 O ATOM 39 CB ASP A 4 17.046 -10.503 -0.535 1.00 72.13 C ATOM 40 CG ASP A 4 15.739 -11.249 -0.790 1.00 44.15 C ATOM 41 OD1 ASP A 4 15.297 -11.343 -1.963 1.00 65.13 O ATOM 42 OD2 ASP A 4 15.280 -11.953 0.140 1.00 42.43 O ATOM 0 H ASP A 4 18.964 -8.275 -0.506 1.00 2.41 H new ATOM 0 HA ASP A 4 16.643 -9.054 -2.112 1.00 50.32 H new ATOM 0 HB2 ASP A 4 17.867 -11.104 -0.925 1.00 72.13 H new ATOM 0 HB3 ASP A 4 17.192 -10.423 0.542 1.00 72.13 H new ATOM 47 N ASP A 5 17.023 -6.872 -0.126 1.00 11.43 N ATOM 48 CA ASP A 5 16.815 -6.022 1.054 1.00 51.12 C ATOM 49 C ASP A 5 16.999 -4.509 0.856 1.00 14.50 C ATOM 50 O ASP A 5 17.091 -3.767 1.840 1.00 43.53 O ATOM 51 CB ASP A 5 17.696 -6.538 2.203 1.00 32.14 C ATOM 52 CG ASP A 5 17.053 -6.390 3.585 1.00 50.22 C ATOM 53 OD1 ASP A 5 16.113 -5.596 3.800 1.00 3.11 O ATOM 54 OD2 ASP A 5 17.519 -7.104 4.503 1.00 42.33 O ATOM 0 H ASP A 5 17.629 -6.462 -0.837 1.00 11.43 H new ATOM 0 HA ASP A 5 15.754 -6.111 1.289 1.00 51.12 H new ATOM 0 HB2 ASP A 5 17.925 -7.589 2.029 1.00 32.14 H new ATOM 0 HB3 ASP A 5 18.643 -5.999 2.193 1.00 32.14 H new ATOM 59 N LYS A 6 17.073 -4.007 -0.381 1.00 53.34 N ATOM 60 CA LYS A 6 17.194 -2.558 -0.615 1.00 74.44 C ATOM 61 C LYS A 6 15.847 -1.989 -1.028 1.00 74.41 C ATOM 62 O LYS A 6 15.267 -2.442 -2.015 1.00 12.42 O ATOM 63 CB LYS A 6 18.281 -2.220 -1.645 1.00 74.43 C ATOM 64 CG LYS A 6 19.678 -2.584 -1.120 1.00 4.53 C ATOM 65 CD LYS A 6 20.776 -1.736 -1.780 1.00 65.41 C ATOM 66 CE LYS A 6 22.139 -2.417 -1.602 1.00 4.11 C ATOM 67 NZ LYS A 6 22.943 -2.434 -2.843 1.00 11.21 N ATOM 0 H LYS A 6 17.052 -4.573 -1.230 1.00 53.34 H new ATOM 0 HA LYS A 6 17.505 -2.093 0.321 1.00 74.44 H new ATOM 0 HB2 LYS A 6 18.087 -2.759 -2.572 1.00 74.43 H new ATOM 0 HB3 LYS A 6 18.244 -1.156 -1.880 1.00 74.43 H new ATOM 0 HG2 LYS A 6 19.709 -2.441 -0.040 1.00 4.53 H new ATOM 0 HG3 LYS A 6 19.873 -3.640 -1.307 1.00 4.53 H new ATOM 0 HD2 LYS A 6 20.560 -1.607 -2.841 1.00 65.41 H new ATOM 0 HD3 LYS A 6 20.796 -0.741 -1.335 1.00 65.41 H new ATOM 0 HE2 LYS A 6 22.697 -1.901 -0.821 1.00 4.11 H new ATOM 0 HE3 LYS A 6 21.986 -3.441 -1.261 1.00 4.11 H new ATOM 0 HZ1 LYS A 6 23.852 -2.906 -2.661 1.00 11.21 H new ATOM 0 HZ2 LYS A 6 22.427 -2.950 -3.584 1.00 11.21 H new ATOM 0 HZ3 LYS A 6 23.117 -1.458 -3.158 1.00 11.21 H new ATOM 81 N VAL A 7 15.365 -0.986 -0.291 1.00 34.12 N ATOM 82 CA VAL A 7 14.177 -0.235 -0.675 1.00 34.43 C ATOM 83 C VAL A 7 14.472 0.482 -1.991 1.00 44.54 C ATOM 84 O VAL A 7 15.358 1.340 -2.065 1.00 33.40 O ATOM 85 CB VAL A 7 13.637 0.644 0.479 1.00 4.14 C ATOM 86 CG1 VAL A 7 14.699 1.439 1.247 1.00 43.21 C ATOM 87 CG2 VAL A 7 12.536 1.612 0.018 1.00 3.11 C ATOM 0 H VAL A 7 15.788 -0.676 0.584 1.00 34.12 H new ATOM 0 HA VAL A 7 13.335 -0.901 -0.863 1.00 34.43 H new ATOM 0 HB VAL A 7 13.225 -0.092 1.169 1.00 4.14 H new ATOM 0 HG11 VAL A 7 14.219 2.022 2.033 1.00 43.21 H new ATOM 0 HG12 VAL A 7 15.417 0.751 1.692 1.00 43.21 H new ATOM 0 HG13 VAL A 7 15.216 2.111 0.562 1.00 43.21 H new ATOM 0 HG21 VAL A 7 12.193 2.204 0.867 1.00 3.11 H new ATOM 0 HG22 VAL A 7 12.933 2.275 -0.750 1.00 3.11 H new ATOM 0 HG23 VAL A 7 11.700 1.044 -0.390 1.00 3.11 H new ATOM 97 N GLU A 8 13.749 0.067 -3.027 1.00 12.23 N ATOM 98 CA GLU A 8 13.776 0.603 -4.380 1.00 30.13 C ATOM 99 C GLU A 8 12.448 1.283 -4.713 1.00 73.41 C ATOM 100 O GLU A 8 11.423 1.007 -4.087 1.00 65.44 O ATOM 101 CB GLU A 8 13.985 -0.560 -5.357 1.00 71.23 C ATOM 102 CG GLU A 8 15.459 -0.777 -5.680 1.00 30.44 C ATOM 103 CD GLU A 8 15.584 -1.991 -6.589 1.00 31.41 C ATOM 104 OE1 GLU A 8 15.233 -1.889 -7.789 1.00 34.11 O ATOM 105 OE2 GLU A 8 15.920 -3.063 -6.046 1.00 71.44 O ATOM 0 H GLU A 8 13.086 -0.703 -2.935 1.00 12.23 H new ATOM 0 HA GLU A 8 14.581 1.334 -4.460 1.00 30.13 H new ATOM 0 HB2 GLU A 8 13.570 -1.472 -4.929 1.00 71.23 H new ATOM 0 HB3 GLU A 8 13.437 -0.362 -6.278 1.00 71.23 H new ATOM 0 HG2 GLU A 8 15.873 0.105 -6.168 1.00 30.44 H new ATOM 0 HG3 GLU A 8 16.028 -0.931 -4.763 1.00 30.44 H new ATOM 112 N ILE A 9 12.460 2.115 -5.758 1.00 42.51 N ATOM 113 CA ILE A 9 11.265 2.625 -6.426 1.00 24.20 C ATOM 114 C ILE A 9 10.552 1.494 -7.194 1.00 14.22 C ATOM 115 O ILE A 9 9.440 1.154 -6.800 1.00 11.20 O ATOM 116 CB ILE A 9 11.620 3.863 -7.291 1.00 72.45 C ATOM 117 CG1 ILE A 9 11.944 5.104 -6.425 1.00 45.11 C ATOM 118 CG2 ILE A 9 10.543 4.204 -8.335 1.00 73.43 C ATOM 119 CD1 ILE A 9 10.757 5.735 -5.678 1.00 61.05 C ATOM 0 H ILE A 9 13.326 2.460 -6.172 1.00 42.51 H new ATOM 0 HA ILE A 9 10.544 2.976 -5.688 1.00 24.20 H new ATOM 0 HB ILE A 9 12.519 3.581 -7.839 1.00 72.45 H new ATOM 0 HG12 ILE A 9 12.701 4.823 -5.692 1.00 45.11 H new ATOM 0 HG13 ILE A 9 12.389 5.864 -7.067 1.00 45.11 H new ATOM 0 HG21 ILE A 9 10.854 5.079 -8.906 1.00 73.43 H new ATOM 0 HG22 ILE A 9 10.410 3.359 -9.010 1.00 73.43 H new ATOM 0 HG23 ILE A 9 9.601 4.416 -7.830 1.00 73.43 H new ATOM 0 HD11 ILE A 9 11.103 6.595 -5.105 1.00 61.05 H new ATOM 0 HD12 ILE A 9 10.004 6.057 -6.397 1.00 61.05 H new ATOM 0 HD13 ILE A 9 10.321 5.000 -5.001 1.00 61.05 H new ATOM 131 N PRO A 10 11.111 0.878 -8.259 1.00 51.24 N ATOM 132 CA PRO A 10 10.307 0.072 -9.185 1.00 23.01 C ATOM 133 C PRO A 10 9.675 -1.168 -8.545 1.00 64.14 C ATOM 134 O PRO A 10 8.620 -1.622 -8.988 1.00 50.43 O ATOM 135 CB PRO A 10 11.237 -0.291 -10.347 1.00 55.31 C ATOM 136 CG PRO A 10 12.637 -0.142 -9.754 1.00 52.41 C ATOM 137 CD PRO A 10 12.457 1.029 -8.793 1.00 42.45 C ATOM 0 HA PRO A 10 9.446 0.649 -9.522 1.00 23.01 H new ATOM 0 HB2 PRO A 10 11.058 -1.307 -10.700 1.00 55.31 H new ATOM 0 HB3 PRO A 10 11.091 0.373 -11.199 1.00 55.31 H new ATOM 0 HG2 PRO A 10 12.959 -1.046 -9.238 1.00 52.41 H new ATOM 0 HG3 PRO A 10 13.383 0.071 -10.520 1.00 52.41 H new ATOM 0 HD2 PRO A 10 13.202 1.004 -7.998 1.00 42.45 H new ATOM 0 HD3 PRO A 10 12.572 1.983 -9.308 1.00 42.45 H new ATOM 145 N GLN A 11 10.264 -1.699 -7.471 1.00 44.11 N ATOM 146 CA GLN A 11 9.690 -2.821 -6.740 1.00 32.10 C ATOM 147 C GLN A 11 8.334 -2.475 -6.110 1.00 50.22 C ATOM 148 O GLN A 11 7.517 -3.372 -5.893 1.00 10.34 O ATOM 149 CB GLN A 11 10.731 -3.334 -5.733 1.00 63.14 C ATOM 150 CG GLN A 11 10.409 -4.703 -5.117 1.00 52.45 C ATOM 151 CD GLN A 11 10.137 -5.779 -6.166 1.00 13.53 C ATOM 152 OE1 GLN A 11 8.987 -6.094 -6.474 1.00 73.42 O ATOM 153 NE2 GLN A 11 11.167 -6.369 -6.739 1.00 11.22 N ATOM 0 H GLN A 11 11.148 -1.362 -7.089 1.00 44.11 H new ATOM 0 HA GLN A 11 9.460 -3.632 -7.431 1.00 32.10 H new ATOM 0 HB2 GLN A 11 11.699 -3.394 -6.231 1.00 63.14 H new ATOM 0 HB3 GLN A 11 10.830 -2.604 -4.930 1.00 63.14 H new ATOM 0 HG2 GLN A 11 11.242 -5.018 -4.489 1.00 52.45 H new ATOM 0 HG3 GLN A 11 9.539 -4.608 -4.468 1.00 52.45 H new ATOM 0 HE21 GLN A 11 12.117 -6.103 -6.479 1.00 11.22 H new ATOM 0 HE22 GLN A 11 11.014 -7.092 -7.443 1.00 11.22 H new ATOM 162 N LEU A 12 8.039 -1.189 -5.892 1.00 42.51 N ATOM 163 CA LEU A 12 6.740 -0.749 -5.409 1.00 10.51 C ATOM 164 C LEU A 12 5.621 -1.134 -6.373 1.00 52.41 C ATOM 165 O LEU A 12 4.567 -1.556 -5.908 1.00 72.13 O ATOM 166 CB LEU A 12 6.736 0.777 -5.194 1.00 43.51 C ATOM 167 CG LEU A 12 5.402 1.337 -4.655 1.00 31.02 C ATOM 168 CD1 LEU A 12 5.122 0.827 -3.239 1.00 5.43 C ATOM 169 CD2 LEU A 12 5.448 2.867 -4.614 1.00 2.40 C ATOM 0 H LEU A 12 8.700 -0.428 -6.048 1.00 42.51 H new ATOM 0 HA LEU A 12 6.558 -1.251 -4.459 1.00 10.51 H new ATOM 0 HB2 LEU A 12 7.534 1.037 -4.498 1.00 43.51 H new ATOM 0 HB3 LEU A 12 6.967 1.267 -6.140 1.00 43.51 H new ATOM 0 HG LEU A 12 4.611 1.000 -5.325 1.00 31.02 H new ATOM 0 HD11 LEU A 12 4.176 1.237 -2.885 1.00 5.43 H new ATOM 0 HD12 LEU A 12 5.064 -0.261 -3.249 1.00 5.43 H new ATOM 0 HD13 LEU A 12 5.926 1.141 -2.573 1.00 5.43 H new ATOM 0 HD21 LEU A 12 4.501 3.249 -4.232 1.00 2.40 H new ATOM 0 HD22 LEU A 12 6.259 3.189 -3.961 1.00 2.40 H new ATOM 0 HD23 LEU A 12 5.616 3.253 -5.619 1.00 2.40 H new ATOM 181 N VAL A 13 5.862 -1.020 -7.682 1.00 50.44 N ATOM 182 CA VAL A 13 4.867 -1.031 -8.758 1.00 64.12 C ATOM 183 C VAL A 13 4.058 -2.344 -8.803 1.00 31.21 C ATOM 184 O VAL A 13 3.016 -2.423 -9.453 1.00 74.25 O ATOM 185 CB VAL A 13 5.606 -0.736 -10.090 1.00 40.52 C ATOM 186 CG1 VAL A 13 4.652 -0.634 -11.286 1.00 73.41 C ATOM 187 CG2 VAL A 13 6.425 0.572 -10.077 1.00 55.41 C ATOM 0 H VAL A 13 6.811 -0.911 -8.040 1.00 50.44 H new ATOM 0 HA VAL A 13 4.120 -0.258 -8.576 1.00 64.12 H new ATOM 0 HB VAL A 13 6.276 -1.590 -10.192 1.00 40.52 H new ATOM 0 HG11 VAL A 13 5.224 -0.427 -12.191 1.00 73.41 H new ATOM 0 HG12 VAL A 13 4.115 -1.575 -11.404 1.00 73.41 H new ATOM 0 HG13 VAL A 13 3.939 0.172 -11.115 1.00 73.41 H new ATOM 0 HG21 VAL A 13 6.911 0.707 -11.043 1.00 55.41 H new ATOM 0 HG22 VAL A 13 5.761 1.415 -9.884 1.00 55.41 H new ATOM 0 HG23 VAL A 13 7.182 0.520 -9.294 1.00 55.41 H new ATOM 197 N GLY A 14 4.521 -3.394 -8.126 1.00 73.45 N ATOM 198 CA GLY A 14 3.801 -4.645 -7.940 1.00 14.21 C ATOM 199 C GLY A 14 2.449 -4.483 -7.238 1.00 71.25 C ATOM 200 O GLY A 14 2.025 -3.405 -6.814 1.00 50.35 O ATOM 0 H GLY A 14 5.438 -3.393 -7.679 1.00 73.45 H new ATOM 0 HA2 GLY A 14 3.641 -5.109 -8.913 1.00 14.21 H new ATOM 0 HA3 GLY A 14 4.422 -5.328 -7.359 1.00 14.21 H new ATOM 204 N LYS A 15 1.766 -5.617 -7.113 1.00 73.23 N ATOM 205 CA LYS A 15 0.544 -5.771 -6.331 1.00 32.31 C ATOM 206 C LYS A 15 0.943 -6.288 -4.958 1.00 4.31 C ATOM 207 O LYS A 15 1.941 -7.013 -4.847 1.00 23.23 O ATOM 208 CB LYS A 15 -0.403 -6.750 -7.041 1.00 24.33 C ATOM 209 CG LYS A 15 -0.839 -6.223 -8.416 1.00 51.25 C ATOM 210 CD LYS A 15 -0.715 -7.232 -9.554 1.00 11.23 C ATOM 211 CE LYS A 15 0.744 -7.620 -9.789 1.00 43.15 C ATOM 212 NZ LYS A 15 0.918 -8.296 -11.081 1.00 71.12 N ATOM 0 H LYS A 15 2.058 -6.482 -7.568 1.00 73.23 H new ATOM 0 HA LYS A 15 0.018 -4.822 -6.227 1.00 32.31 H new ATOM 0 HB2 LYS A 15 0.093 -7.713 -7.161 1.00 24.33 H new ATOM 0 HB3 LYS A 15 -1.283 -6.920 -6.421 1.00 24.33 H new ATOM 0 HG2 LYS A 15 -1.876 -5.894 -8.352 1.00 51.25 H new ATOM 0 HG3 LYS A 15 -0.241 -5.345 -8.660 1.00 51.25 H new ATOM 0 HD2 LYS A 15 -1.298 -8.123 -9.320 1.00 11.23 H new ATOM 0 HD3 LYS A 15 -1.133 -6.808 -10.467 1.00 11.23 H new ATOM 0 HE2 LYS A 15 1.369 -6.728 -9.757 1.00 43.15 H new ATOM 0 HE3 LYS A 15 1.082 -8.275 -8.986 1.00 43.15 H new ATOM 0 HZ1 LYS A 15 1.919 -8.546 -11.210 1.00 71.12 H new ATOM 0 HZ2 LYS A 15 0.340 -9.160 -11.101 1.00 71.12 H new ATOM 0 HZ3 LYS A 15 0.618 -7.661 -11.848 1.00 71.12 H new ATOM 226 N TRP A 16 0.167 -5.960 -3.934 1.00 43.43 N ATOM 227 CA TRP A 16 0.561 -6.165 -2.557 1.00 43.33 C ATOM 228 C TRP A 16 -0.672 -6.483 -1.719 1.00 43.14 C ATOM 229 O TRP A 16 -1.660 -5.746 -1.740 1.00 31.43 O ATOM 230 CB TRP A 16 1.228 -4.879 -2.074 1.00 32.32 C ATOM 231 CG TRP A 16 2.556 -4.573 -2.669 1.00 63.13 C ATOM 232 CD1 TRP A 16 2.787 -3.811 -3.759 1.00 34.21 C ATOM 233 CD2 TRP A 16 3.857 -5.005 -2.193 1.00 73.32 C ATOM 234 NE1 TRP A 16 4.143 -3.729 -3.989 1.00 32.20 N ATOM 235 CE2 TRP A 16 4.855 -4.443 -3.045 1.00 22.03 C ATOM 236 CE3 TRP A 16 4.280 -5.794 -1.103 1.00 22.44 C ATOM 237 CZ2 TRP A 16 6.223 -4.657 -2.823 1.00 31.24 C ATOM 238 CZ3 TRP A 16 5.652 -5.996 -0.871 1.00 41.52 C ATOM 239 CH2 TRP A 16 6.622 -5.430 -1.719 1.00 4.20 C ATOM 0 H TRP A 16 -0.757 -5.542 -4.041 1.00 43.43 H new ATOM 0 HA TRP A 16 1.255 -7.000 -2.465 1.00 43.33 H new ATOM 0 HB2 TRP A 16 0.558 -4.045 -2.281 1.00 32.32 H new ATOM 0 HB3 TRP A 16 1.341 -4.936 -0.991 1.00 32.32 H new ATOM 0 HD1 TRP A 16 2.025 -3.337 -4.360 1.00 34.21 H new ATOM 0 HE1 TRP A 16 4.566 -3.208 -4.757 1.00 32.20 H new ATOM 0 HE3 TRP A 16 3.550 -6.243 -0.446 1.00 22.44 H new ATOM 0 HZ2 TRP A 16 6.959 -4.234 -3.491 1.00 31.24 H new ATOM 0 HZ3 TRP A 16 5.966 -6.595 -0.029 1.00 41.52 H new ATOM 0 HH2 TRP A 16 7.672 -5.589 -1.522 1.00 4.20 H new ATOM 250 N ILE A 17 -0.628 -7.593 -0.993 1.00 52.42 N ATOM 251 CA ILE A 17 -1.762 -8.147 -0.284 1.00 24.32 C ATOM 252 C ILE A 17 -1.688 -7.692 1.170 1.00 13.54 C ATOM 253 O ILE A 17 -0.614 -7.709 1.768 1.00 64.41 O ATOM 254 CB ILE A 17 -1.721 -9.684 -0.442 1.00 50.21 C ATOM 255 CG1 ILE A 17 -3.137 -10.248 -0.308 1.00 43.35 C ATOM 256 CG2 ILE A 17 -0.785 -10.448 0.505 1.00 30.43 C ATOM 257 CD1 ILE A 17 -3.763 -10.286 -1.701 1.00 14.20 C ATOM 0 H ILE A 17 0.223 -8.144 -0.882 1.00 52.42 H new ATOM 0 HA ILE A 17 -2.714 -7.799 -0.685 1.00 24.32 H new ATOM 0 HB ILE A 17 -1.300 -9.842 -1.435 1.00 50.21 H new ATOM 0 HG12 ILE A 17 -3.110 -11.248 0.125 1.00 43.35 H new ATOM 0 HG13 ILE A 17 -3.733 -9.627 0.361 1.00 43.35 H new ATOM 0 HG21 ILE A 17 -0.847 -11.516 0.294 1.00 30.43 H new ATOM 0 HG22 ILE A 17 0.240 -10.107 0.357 1.00 30.43 H new ATOM 0 HG23 ILE A 17 -1.083 -10.264 1.537 1.00 30.43 H new ATOM 0 HD11 ILE A 17 -4.775 -10.685 -1.634 1.00 14.20 H new ATOM 0 HD12 ILE A 17 -3.797 -9.277 -2.112 1.00 14.20 H new ATOM 0 HD13 ILE A 17 -3.164 -10.923 -2.352 1.00 14.20 H new ATOM 269 N VAL A 18 -2.820 -7.317 1.761 1.00 12.30 N ATOM 270 CA VAL A 18 -2.921 -6.947 3.178 1.00 61.25 C ATOM 271 C VAL A 18 -3.329 -8.165 4.018 1.00 64.03 C ATOM 272 O VAL A 18 -3.642 -8.059 5.197 1.00 73.05 O ATOM 273 CB VAL A 18 -3.887 -5.749 3.333 1.00 70.43 C ATOM 274 CG1 VAL A 18 -3.807 -5.089 4.717 1.00 30.15 C ATOM 275 CG2 VAL A 18 -3.569 -4.635 2.326 1.00 71.25 C ATOM 0 H VAL A 18 -3.709 -7.259 1.264 1.00 12.30 H new ATOM 0 HA VAL A 18 -1.949 -6.626 3.554 1.00 61.25 H new ATOM 0 HB VAL A 18 -4.877 -6.176 3.170 1.00 70.43 H new ATOM 0 HG11 VAL A 18 -4.508 -4.256 4.764 1.00 30.15 H new ATOM 0 HG12 VAL A 18 -4.061 -5.820 5.484 1.00 30.15 H new ATOM 0 HG13 VAL A 18 -2.795 -4.722 4.887 1.00 30.15 H new ATOM 0 HG21 VAL A 18 -4.267 -3.810 2.464 1.00 71.25 H new ATOM 0 HG22 VAL A 18 -2.551 -4.280 2.486 1.00 71.25 H new ATOM 0 HG23 VAL A 18 -3.662 -5.024 1.312 1.00 71.25 H new ATOM 285 N LYS A 19 -3.278 -9.355 3.430 1.00 4.22 N ATOM 286 CA LYS A 19 -3.584 -10.624 4.082 1.00 52.43 C ATOM 287 C LYS A 19 -2.446 -11.064 5.014 1.00 71.22 C ATOM 288 O LYS A 19 -2.280 -12.253 5.274 1.00 63.42 O ATOM 289 CB LYS A 19 -3.923 -11.650 2.984 1.00 72.41 C ATOM 290 CG LYS A 19 -4.660 -12.896 3.506 1.00 44.54 C ATOM 291 CD LYS A 19 -5.599 -13.513 2.447 1.00 22.05 C ATOM 292 CE LYS A 19 -5.174 -14.888 1.920 1.00 70.41 C ATOM 293 NZ LYS A 19 -5.777 -15.999 2.684 1.00 2.42 N ATOM 0 H LYS A 19 -3.013 -9.467 2.451 1.00 4.22 H new ATOM 0 HA LYS A 19 -4.450 -10.526 4.737 1.00 52.43 H new ATOM 0 HB2 LYS A 19 -4.538 -11.167 2.225 1.00 72.41 H new ATOM 0 HB3 LYS A 19 -3.001 -11.963 2.495 1.00 72.41 H new ATOM 0 HG2 LYS A 19 -3.929 -13.642 3.818 1.00 44.54 H new ATOM 0 HG3 LYS A 19 -5.240 -12.628 4.389 1.00 44.54 H new ATOM 0 HD2 LYS A 19 -6.597 -13.599 2.876 1.00 22.05 H new ATOM 0 HD3 LYS A 19 -5.672 -12.825 1.604 1.00 22.05 H new ATOM 0 HE2 LYS A 19 -5.459 -14.976 0.872 1.00 70.41 H new ATOM 0 HE3 LYS A 19 -4.088 -14.970 1.963 1.00 70.41 H new ATOM 0 HZ1 LYS A 19 -5.458 -16.906 2.288 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -5.485 -15.934 3.680 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -6.814 -15.940 2.623 1.00 2.42 H new ATOM 307 N GLU A 20 -1.613 -10.135 5.473 1.00 11.10 N ATOM 308 CA GLU A 20 -0.403 -10.402 6.224 1.00 71.32 C ATOM 309 C GLU A 20 -0.089 -9.144 7.064 1.00 45.41 C ATOM 310 O GLU A 20 0.301 -8.112 6.503 1.00 70.02 O ATOM 311 CB GLU A 20 0.724 -10.816 5.251 1.00 62.04 C ATOM 312 CG GLU A 20 1.168 -12.281 5.417 1.00 70.24 C ATOM 313 CD GLU A 20 1.906 -12.552 6.731 1.00 64.03 C ATOM 314 OE1 GLU A 20 1.497 -12.040 7.796 1.00 2.33 O ATOM 315 OE2 GLU A 20 2.945 -13.251 6.720 1.00 2.41 O ATOM 0 H GLU A 20 -1.774 -9.139 5.323 1.00 11.10 H new ATOM 0 HA GLU A 20 -0.514 -11.238 6.915 1.00 71.32 H new ATOM 0 HB2 GLU A 20 0.385 -10.661 4.227 1.00 62.04 H new ATOM 0 HB3 GLU A 20 1.584 -10.164 5.404 1.00 62.04 H new ATOM 0 HG2 GLU A 20 0.291 -12.926 5.363 1.00 70.24 H new ATOM 0 HG3 GLU A 20 1.816 -12.552 4.583 1.00 70.24 H new ATOM 322 N PRO A 21 -0.337 -9.151 8.389 1.00 63.15 N ATOM 323 CA PRO A 21 -1.164 -10.132 9.082 1.00 24.44 C ATOM 324 C PRO A 21 -2.602 -10.052 8.572 1.00 21.12 C ATOM 325 O PRO A 21 -3.042 -9.015 8.074 1.00 61.34 O ATOM 326 CB PRO A 21 -1.097 -9.783 10.567 1.00 11.24 C ATOM 327 CG PRO A 21 -0.755 -8.292 10.573 1.00 12.31 C ATOM 328 CD PRO A 21 0.041 -8.073 9.287 1.00 30.41 C ATOM 0 HA PRO A 21 -0.812 -11.149 8.908 1.00 24.44 H new ATOM 0 HB2 PRO A 21 -2.045 -9.978 11.068 1.00 11.24 H new ATOM 0 HB3 PRO A 21 -0.337 -10.370 11.083 1.00 11.24 H new ATOM 0 HG2 PRO A 21 -1.656 -7.679 10.591 1.00 12.31 H new ATOM 0 HG3 PRO A 21 -0.169 -8.023 11.452 1.00 12.31 H new ATOM 0 HD2 PRO A 21 -0.188 -7.102 8.848 1.00 30.41 H new ATOM 0 HD3 PRO A 21 1.113 -8.089 9.485 1.00 30.41 H new ATOM 336 N VAL A 22 -3.343 -11.148 8.708 1.00 32.03 N ATOM 337 CA VAL A 22 -4.705 -11.228 8.183 1.00 33.43 C ATOM 338 C VAL A 22 -5.580 -10.211 8.923 1.00 61.32 C ATOM 339 O VAL A 22 -5.393 -9.980 10.124 1.00 50.53 O ATOM 340 CB VAL A 22 -5.235 -12.673 8.287 1.00 24.11 C ATOM 341 CG1 VAL A 22 -6.623 -12.813 7.650 1.00 14.21 C ATOM 342 CG2 VAL A 22 -4.304 -13.643 7.549 1.00 13.41 C ATOM 0 H VAL A 22 -3.024 -11.995 9.178 1.00 32.03 H new ATOM 0 HA VAL A 22 -4.725 -10.974 7.123 1.00 33.43 H new ATOM 0 HB VAL A 22 -5.285 -12.908 9.350 1.00 24.11 H new ATOM 0 HG11 VAL A 22 -6.963 -13.844 7.743 1.00 14.21 H new ATOM 0 HG12 VAL A 22 -7.325 -12.152 8.158 1.00 14.21 H new ATOM 0 HG13 VAL A 22 -6.568 -12.542 6.596 1.00 14.21 H new ATOM 0 HG21 VAL A 22 -4.694 -14.657 7.634 1.00 13.41 H new ATOM 0 HG22 VAL A 22 -4.246 -13.363 6.497 1.00 13.41 H new ATOM 0 HG23 VAL A 22 -3.309 -13.599 7.991 1.00 13.41 H new ATOM 352 N LEU A 23 -6.523 -9.579 8.218 1.00 25.15 N ATOM 353 CA LEU A 23 -7.471 -8.676 8.845 1.00 54.11 C ATOM 354 C LEU A 23 -8.679 -9.487 9.297 1.00 21.43 C ATOM 355 O LEU A 23 -9.007 -10.531 8.724 1.00 34.33 O ATOM 356 CB LEU A 23 -7.910 -7.519 7.930 1.00 74.01 C ATOM 357 CG LEU A 23 -6.787 -6.675 7.298 1.00 25.45 C ATOM 358 CD1 LEU A 23 -7.422 -5.568 6.445 1.00 3.51 C ATOM 359 CD2 LEU A 23 -5.870 -6.041 8.353 1.00 45.10 C ATOM 0 H LEU A 23 -6.644 -9.682 7.210 1.00 25.15 H new ATOM 0 HA LEU A 23 -6.976 -8.207 9.695 1.00 54.11 H new ATOM 0 HB2 LEU A 23 -8.519 -7.933 7.126 1.00 74.01 H new ATOM 0 HB3 LEU A 23 -8.553 -6.854 8.507 1.00 74.01 H new ATOM 0 HG LEU A 23 -6.172 -7.336 6.687 1.00 25.45 H new ATOM 0 HD11 LEU A 23 -6.637 -4.963 5.992 1.00 3.51 H new ATOM 0 HD12 LEU A 23 -8.032 -6.017 5.661 1.00 3.51 H new ATOM 0 HD13 LEU A 23 -8.048 -4.937 7.076 1.00 3.51 H new ATOM 0 HD21 LEU A 23 -5.095 -5.456 7.857 1.00 45.10 H new ATOM 0 HD22 LEU A 23 -6.457 -5.390 9.001 1.00 45.10 H new ATOM 0 HD23 LEU A 23 -5.406 -6.826 8.951 1.00 45.10 H new ATOM 371 N GLN A 24 -9.333 -8.972 10.330 1.00 53.43 N ATOM 372 CA GLN A 24 -10.473 -9.586 10.987 1.00 41.34 C ATOM 373 C GLN A 24 -11.651 -9.807 10.032 1.00 4.31 C ATOM 374 O GLN A 24 -11.733 -9.216 8.948 1.00 4.43 O ATOM 375 CB GLN A 24 -10.885 -8.714 12.183 1.00 72.23 C ATOM 376 CG GLN A 24 -9.966 -8.907 13.401 1.00 45.31 C ATOM 377 CD GLN A 24 -10.761 -9.417 14.596 1.00 11.21 C ATOM 378 OE1 GLN A 24 -11.186 -8.631 15.440 1.00 41.21 O ATOM 379 NE2 GLN A 24 -11.089 -10.699 14.641 1.00 45.33 N ATOM 0 H GLN A 24 -9.071 -8.079 10.748 1.00 53.43 H new ATOM 0 HA GLN A 24 -10.178 -10.576 11.335 1.00 41.34 H new ATOM 0 HB2 GLN A 24 -10.872 -7.666 11.885 1.00 72.23 H new ATOM 0 HB3 GLN A 24 -11.911 -8.952 12.465 1.00 72.23 H new ATOM 0 HG2 GLN A 24 -9.173 -9.613 13.157 1.00 45.31 H new ATOM 0 HG3 GLN A 24 -9.485 -7.962 13.654 1.00 45.31 H new ATOM 0 HE21 GLN A 24 -10.730 -11.342 13.935 1.00 45.33 H new ATOM 0 HE22 GLN A 24 -11.700 -11.043 15.381 1.00 45.33 H new ATOM 388 N ASP A 25 -12.568 -10.651 10.496 1.00 72.23 N ATOM 389 CA ASP A 25 -13.656 -11.325 9.808 1.00 2.15 C ATOM 390 C ASP A 25 -13.069 -12.092 8.631 1.00 53.44 C ATOM 391 O ASP A 25 -12.685 -13.258 8.732 1.00 14.34 O ATOM 392 CB ASP A 25 -14.788 -10.359 9.398 1.00 73.21 C ATOM 393 CG ASP A 25 -15.676 -9.956 10.562 1.00 12.31 C ATOM 394 OD1 ASP A 25 -15.212 -9.191 11.442 1.00 34.15 O ATOM 395 OD2 ASP A 25 -16.827 -10.439 10.632 1.00 30.34 O ATOM 0 H ASP A 25 -12.561 -10.907 11.483 1.00 72.23 H new ATOM 0 HA ASP A 25 -14.138 -12.029 10.487 1.00 2.15 H new ATOM 0 HB2 ASP A 25 -14.351 -9.464 8.955 1.00 73.21 H new ATOM 0 HB3 ASP A 25 -15.399 -10.830 8.628 1.00 73.21 H new ATOM 400 N ASP A 26 -12.931 -11.369 7.534 1.00 41.31 N ATOM 401 CA ASP A 26 -12.717 -11.766 6.166 1.00 34.24 C ATOM 402 C ASP A 26 -12.351 -10.558 5.300 1.00 14.42 C ATOM 403 O ASP A 26 -12.260 -10.690 4.077 1.00 11.51 O ATOM 404 CB ASP A 26 -13.959 -12.475 5.600 1.00 21.14 C ATOM 405 CG ASP A 26 -15.282 -11.737 5.792 1.00 14.13 C ATOM 406 OD1 ASP A 26 -15.308 -10.494 5.914 1.00 10.24 O ATOM 407 OD2 ASP A 26 -16.312 -12.453 5.858 1.00 12.53 O ATOM 0 H ASP A 26 -12.974 -10.352 7.600 1.00 41.31 H new ATOM 0 HA ASP A 26 -11.883 -12.468 6.147 1.00 34.24 H new ATOM 0 HB2 ASP A 26 -13.807 -12.641 4.533 1.00 21.14 H new ATOM 0 HB3 ASP A 26 -14.040 -13.457 6.067 1.00 21.14 H new ATOM 412 N PHE A 27 -12.096 -9.394 5.913 1.00 31.34 N ATOM 413 CA PHE A 27 -11.621 -8.223 5.227 1.00 53.53 C ATOM 414 C PHE A 27 -10.275 -8.560 4.609 1.00 12.54 C ATOM 415 O PHE A 27 -9.373 -9.110 5.242 1.00 74.32 O ATOM 416 CB PHE A 27 -11.545 -7.015 6.171 1.00 62.22 C ATOM 417 CG PHE A 27 -12.896 -6.368 6.403 1.00 53.33 C ATOM 418 CD1 PHE A 27 -13.469 -5.598 5.375 1.00 72.24 C ATOM 419 CD2 PHE A 27 -13.607 -6.558 7.604 1.00 44.14 C ATOM 420 CE1 PHE A 27 -14.745 -5.037 5.529 1.00 64.41 C ATOM 421 CE2 PHE A 27 -14.883 -5.986 7.761 1.00 21.03 C ATOM 422 CZ PHE A 27 -15.457 -5.235 6.719 1.00 12.42 C ATOM 0 H PHE A 27 -12.222 -9.255 6.916 1.00 31.34 H new ATOM 0 HA PHE A 27 -12.317 -7.936 4.439 1.00 53.53 H new ATOM 0 HB2 PHE A 27 -11.130 -7.332 7.128 1.00 62.22 H new ATOM 0 HB3 PHE A 27 -10.860 -6.277 5.755 1.00 62.22 H new ATOM 0 HD1 PHE A 27 -12.921 -5.437 4.458 1.00 72.24 H new ATOM 0 HD2 PHE A 27 -13.174 -7.142 8.403 1.00 44.14 H new ATOM 0 HE1 PHE A 27 -15.178 -4.453 4.731 1.00 64.41 H new ATOM 0 HE2 PHE A 27 -15.424 -6.124 8.685 1.00 21.03 H new ATOM 0 HZ PHE A 27 -16.444 -4.812 6.836 1.00 12.42 H new ATOM 432 N VAL A 28 -10.176 -8.215 3.344 1.00 62.22 N ATOM 433 CA VAL A 28 -9.008 -8.355 2.494 1.00 34.23 C ATOM 434 C VAL A 28 -8.854 -7.062 1.694 1.00 34.43 C ATOM 435 O VAL A 28 -9.849 -6.367 1.463 1.00 63.01 O ATOM 436 CB VAL A 28 -9.167 -9.592 1.582 1.00 3.22 C ATOM 437 CG1 VAL A 28 -9.007 -10.899 2.376 1.00 33.01 C ATOM 438 CG2 VAL A 28 -10.490 -9.607 0.805 1.00 44.43 C ATOM 0 H VAL A 28 -10.963 -7.800 2.845 1.00 62.22 H new ATOM 0 HA VAL A 28 -8.106 -8.514 3.085 1.00 34.23 H new ATOM 0 HB VAL A 28 -8.365 -9.520 0.847 1.00 3.22 H new ATOM 0 HG11 VAL A 28 -9.125 -11.749 1.704 1.00 33.01 H new ATOM 0 HG12 VAL A 28 -8.017 -10.930 2.830 1.00 33.01 H new ATOM 0 HG13 VAL A 28 -9.766 -10.946 3.157 1.00 33.01 H new ATOM 0 HG21 VAL A 28 -10.537 -10.502 0.184 1.00 44.43 H new ATOM 0 HG22 VAL A 28 -11.324 -9.607 1.507 1.00 44.43 H new ATOM 0 HG23 VAL A 28 -10.550 -8.722 0.171 1.00 44.43 H new ATOM 448 N THR A 29 -7.626 -6.768 1.270 1.00 21.05 N ATOM 449 CA THR A 29 -7.255 -5.684 0.369 1.00 12.25 C ATOM 450 C THR A 29 -6.003 -6.110 -0.415 1.00 42.40 C ATOM 451 O THR A 29 -5.201 -6.938 0.034 1.00 25.05 O ATOM 452 CB THR A 29 -7.018 -4.387 1.169 1.00 32.11 C ATOM 453 OG1 THR A 29 -8.175 -3.988 1.858 1.00 31.34 O ATOM 454 CG2 THR A 29 -6.587 -3.202 0.302 1.00 31.03 C ATOM 0 H THR A 29 -6.817 -7.314 1.565 1.00 21.05 H new ATOM 0 HA THR A 29 -8.060 -5.481 -0.338 1.00 12.25 H new ATOM 0 HB THR A 29 -6.212 -4.639 1.858 1.00 32.11 H new ATOM 0 HG1 THR A 29 -8.861 -3.714 1.214 1.00 31.34 H new ATOM 0 HG21 THR A 29 -6.439 -2.325 0.932 1.00 31.03 H new ATOM 0 HG22 THR A 29 -5.655 -3.444 -0.208 1.00 31.03 H new ATOM 0 HG23 THR A 29 -7.360 -2.991 -0.437 1.00 31.03 H new ATOM 462 N CYS A 30 -5.825 -5.508 -1.586 1.00 74.11 N ATOM 463 CA CYS A 30 -4.935 -5.889 -2.662 1.00 50.42 C ATOM 464 C CYS A 30 -4.366 -4.616 -3.300 1.00 23.43 C ATOM 465 O CYS A 30 -4.528 -4.396 -4.508 1.00 62.32 O ATOM 466 CB CYS A 30 -5.764 -6.694 -3.677 1.00 3.34 C ATOM 467 SG CYS A 30 -6.502 -8.178 -2.922 1.00 64.42 S ATOM 0 H CYS A 30 -6.350 -4.666 -1.821 1.00 74.11 H new ATOM 0 HA CYS A 30 -4.102 -6.496 -2.308 1.00 50.42 H new ATOM 0 HB2 CYS A 30 -6.554 -6.062 -4.084 1.00 3.34 H new ATOM 0 HB3 CYS A 30 -5.129 -6.989 -4.513 1.00 3.34 H new ATOM 0 HG CYS A 30 -7.192 -8.822 -3.816 1.00 64.42 H new ATOM 473 N TYR A 31 -3.737 -3.762 -2.484 1.00 43.33 N ATOM 474 CA TYR A 31 -3.182 -2.493 -2.938 1.00 1.50 C ATOM 475 C TYR A 31 -2.310 -2.734 -4.169 1.00 70.31 C ATOM 476 O TYR A 31 -1.364 -3.525 -4.120 1.00 50.21 O ATOM 477 CB TYR A 31 -2.342 -1.808 -1.847 1.00 62.22 C ATOM 478 CG TYR A 31 -3.088 -1.122 -0.714 1.00 45.52 C ATOM 479 CD1 TYR A 31 -3.537 0.213 -0.824 1.00 45.33 C ATOM 480 CD2 TYR A 31 -3.227 -1.795 0.507 1.00 72.42 C ATOM 481 CE1 TYR A 31 -4.078 0.880 0.297 1.00 1.53 C ATOM 482 CE2 TYR A 31 -3.781 -1.145 1.620 1.00 23.04 C ATOM 483 CZ TYR A 31 -4.187 0.202 1.536 1.00 64.24 C ATOM 484 OH TYR A 31 -4.596 0.807 2.686 1.00 70.14 O ATOM 0 H TYR A 31 -3.601 -3.937 -1.488 1.00 43.33 H new ATOM 0 HA TYR A 31 -4.015 -1.833 -3.181 1.00 1.50 H new ATOM 0 HB2 TYR A 31 -1.682 -2.558 -1.410 1.00 62.22 H new ATOM 0 HB3 TYR A 31 -1.706 -1.066 -2.329 1.00 62.22 H new ATOM 0 HD1 TYR A 31 -3.466 0.727 -1.771 1.00 45.33 H new ATOM 0 HD2 TYR A 31 -2.905 -2.822 0.592 1.00 72.42 H new ATOM 0 HE1 TYR A 31 -4.408 1.905 0.210 1.00 1.53 H new ATOM 0 HE2 TYR A 31 -3.897 -1.682 2.550 1.00 23.04 H new ATOM 0 HH TYR A 31 -4.295 1.740 2.690 1.00 70.14 H new ATOM 494 N THR A 32 -2.619 -2.060 -5.271 1.00 3.32 N ATOM 495 CA THR A 32 -1.759 -2.049 -6.441 1.00 71.05 C ATOM 496 C THR A 32 -1.318 -0.608 -6.653 1.00 62.14 C ATOM 497 O THR A 32 -2.126 0.312 -6.476 1.00 52.12 O ATOM 498 CB THR A 32 -2.524 -2.620 -7.643 1.00 32.24 C ATOM 499 OG1 THR A 32 -3.078 -3.882 -7.316 1.00 61.35 O ATOM 500 CG2 THR A 32 -1.568 -2.796 -8.822 1.00 64.03 C ATOM 0 H THR A 32 -3.471 -1.508 -5.375 1.00 3.32 H new ATOM 0 HA THR A 32 -0.876 -2.675 -6.312 1.00 71.05 H new ATOM 0 HB THR A 32 -3.324 -1.928 -7.907 1.00 32.24 H new ATOM 0 HG1 THR A 32 -3.565 -4.236 -8.089 1.00 61.35 H new ATOM 0 HG21 THR A 32 -2.113 -3.202 -9.675 1.00 64.03 H new ATOM 0 HG22 THR A 32 -1.140 -1.830 -9.091 1.00 64.03 H new ATOM 0 HG23 THR A 32 -0.768 -3.482 -8.543 1.00 64.03 H new ATOM 508 N PHE A 33 -0.051 -0.420 -7.026 1.00 22.33 N ATOM 509 CA PHE A 33 0.484 0.885 -7.398 1.00 14.51 C ATOM 510 C PHE A 33 0.798 0.847 -8.897 1.00 55.24 C ATOM 511 O PHE A 33 0.781 -0.216 -9.523 1.00 74.02 O ATOM 512 CB PHE A 33 1.721 1.209 -6.541 1.00 41.33 C ATOM 513 CG PHE A 33 1.531 0.990 -5.048 1.00 73.24 C ATOM 514 CD1 PHE A 33 1.799 -0.272 -4.484 1.00 65.35 C ATOM 515 CD2 PHE A 33 1.069 2.032 -4.222 1.00 71.23 C ATOM 516 CE1 PHE A 33 1.594 -0.499 -3.113 1.00 1.42 C ATOM 517 CE2 PHE A 33 0.852 1.800 -2.851 1.00 5.30 C ATOM 518 CZ PHE A 33 1.118 0.538 -2.294 1.00 74.41 C ATOM 0 H PHE A 33 0.634 -1.174 -7.078 1.00 22.33 H new ATOM 0 HA PHE A 33 -0.237 1.681 -7.211 1.00 14.51 H new ATOM 0 HB2 PHE A 33 2.554 0.595 -6.882 1.00 41.33 H new ATOM 0 HB3 PHE A 33 2.002 2.249 -6.710 1.00 41.33 H new ATOM 0 HD1 PHE A 33 2.165 -1.072 -5.111 1.00 65.35 H new ATOM 0 HD2 PHE A 33 0.881 3.010 -4.640 1.00 71.23 H new ATOM 0 HE1 PHE A 33 1.802 -1.470 -2.689 1.00 1.42 H new ATOM 0 HE2 PHE A 33 0.479 2.596 -2.224 1.00 5.30 H new ATOM 0 HZ PHE A 33 0.957 0.366 -1.240 1.00 74.41 H new ATOM 528 N ASN A 34 1.047 1.996 -9.515 1.00 63.12 N ATOM 529 CA ASN A 34 1.474 2.109 -10.913 1.00 40.35 C ATOM 530 C ASN A 34 2.721 2.975 -10.966 1.00 40.22 C ATOM 531 O ASN A 34 3.102 3.571 -9.962 1.00 22.34 O ATOM 532 CB ASN A 34 0.388 2.745 -11.798 1.00 32.24 C ATOM 533 CG ASN A 34 -0.844 1.901 -12.100 1.00 23.00 C ATOM 534 OD1 ASN A 34 -1.614 2.283 -12.973 1.00 75.45 O ATOM 535 ND2 ASN A 34 -1.077 0.776 -11.454 1.00 75.32 N ATOM 0 H ASN A 34 0.957 2.899 -9.050 1.00 63.12 H new ATOM 0 HA ASN A 34 1.669 1.106 -11.293 1.00 40.35 H new ATOM 0 HB2 ASN A 34 0.057 3.666 -11.318 1.00 32.24 H new ATOM 0 HB3 ASN A 34 0.846 3.026 -12.746 1.00 32.24 H new ATOM 0 HD21 ASN A 34 -1.901 0.219 -11.680 1.00 75.32 H new ATOM 0 HD22 ASN A 34 -0.433 0.462 -10.728 1.00 75.32 H new ATOM 542 N ALA A 35 3.320 3.085 -12.148 1.00 21.14 N ATOM 543 CA ALA A 35 4.413 3.990 -12.429 1.00 22.00 C ATOM 544 C ALA A 35 4.048 5.420 -12.028 1.00 24.30 C ATOM 545 O ALA A 35 4.757 6.046 -11.238 1.00 40.33 O ATOM 546 CB ALA A 35 4.755 3.892 -13.921 1.00 33.04 C ATOM 0 H ALA A 35 3.045 2.527 -12.956 1.00 21.14 H new ATOM 0 HA ALA A 35 5.289 3.711 -11.843 1.00 22.00 H new ATOM 0 HB1 ALA A 35 5.578 4.569 -14.151 1.00 33.04 H new ATOM 0 HB2 ALA A 35 5.048 2.870 -14.161 1.00 33.04 H new ATOM 0 HB3 ALA A 35 3.882 4.168 -14.513 1.00 33.04 H new ATOM 552 N ASP A 36 2.978 5.959 -12.616 1.00 23.43 N ATOM 553 CA ASP A 36 2.569 7.353 -12.402 1.00 54.15 C ATOM 554 C ASP A 36 1.141 7.598 -12.917 1.00 12.14 C ATOM 555 O ASP A 36 0.819 8.646 -13.480 1.00 61.04 O ATOM 556 CB ASP A 36 3.610 8.336 -12.987 1.00 22.43 C ATOM 557 CG ASP A 36 4.012 9.438 -11.999 1.00 63.22 C ATOM 558 OD1 ASP A 36 3.163 9.931 -11.219 1.00 75.05 O ATOM 559 OD2 ASP A 36 5.215 9.794 -11.980 1.00 43.43 O ATOM 0 H ASP A 36 2.370 5.444 -13.253 1.00 23.43 H new ATOM 0 HA ASP A 36 2.540 7.546 -11.330 1.00 54.15 H new ATOM 0 HB2 ASP A 36 4.499 7.781 -13.285 1.00 22.43 H new ATOM 0 HB3 ASP A 36 3.203 8.794 -13.888 1.00 22.43 H new ATOM 564 N LYS A 37 0.267 6.594 -12.792 1.00 54.34 N ATOM 565 CA LYS A 37 -1.033 6.550 -13.455 1.00 62.21 C ATOM 566 C LYS A 37 -2.189 6.626 -12.455 1.00 62.22 C ATOM 567 O LYS A 37 -2.956 7.585 -12.511 1.00 63.12 O ATOM 568 CB LYS A 37 -1.045 5.322 -14.385 1.00 73.03 C ATOM 569 CG LYS A 37 -2.394 4.966 -15.019 1.00 53.13 C ATOM 570 CD LYS A 37 -3.012 6.094 -15.837 1.00 51.54 C ATOM 571 CE LYS A 37 -2.367 6.221 -17.226 1.00 20.11 C ATOM 572 NZ LYS A 37 -3.221 6.998 -18.147 1.00 44.20 N ATOM 0 H LYS A 37 0.451 5.774 -12.214 1.00 54.34 H new ATOM 0 HA LYS A 37 -1.190 7.433 -14.075 1.00 62.21 H new ATOM 0 HB2 LYS A 37 -0.325 5.491 -15.185 1.00 73.03 H new ATOM 0 HB3 LYS A 37 -0.695 4.459 -13.818 1.00 73.03 H new ATOM 0 HG2 LYS A 37 -2.263 4.095 -15.661 1.00 53.13 H new ATOM 0 HG3 LYS A 37 -3.090 4.679 -14.231 1.00 53.13 H new ATOM 0 HD2 LYS A 37 -4.081 5.916 -15.949 1.00 51.54 H new ATOM 0 HD3 LYS A 37 -2.900 7.035 -15.298 1.00 51.54 H new ATOM 0 HE2 LYS A 37 -1.394 6.704 -17.134 1.00 20.11 H new ATOM 0 HE3 LYS A 37 -2.192 5.228 -17.640 1.00 20.11 H new ATOM 0 HZ1 LYS A 37 -2.758 7.066 -19.076 1.00 44.20 H new ATOM 0 HZ2 LYS A 37 -4.140 6.523 -18.252 1.00 44.20 H new ATOM 0 HZ3 LYS A 37 -3.367 7.953 -17.762 1.00 44.20 H new ATOM 586 N THR A 38 -2.337 5.625 -11.592 1.00 11.10 N ATOM 587 CA THR A 38 -3.431 5.441 -10.642 1.00 51.34 C ATOM 588 C THR A 38 -2.904 4.445 -9.600 1.00 2.53 C ATOM 589 O THR A 38 -1.822 3.870 -9.759 1.00 44.52 O ATOM 590 CB THR A 38 -4.701 4.993 -11.419 1.00 74.01 C ATOM 591 OG1 THR A 38 -5.912 4.932 -10.682 1.00 24.45 O ATOM 592 CG2 THR A 38 -4.566 3.653 -12.131 1.00 35.15 C ATOM 0 H THR A 38 -1.652 4.872 -11.533 1.00 11.10 H new ATOM 0 HA THR A 38 -3.738 6.345 -10.117 1.00 51.34 H new ATOM 0 HB THR A 38 -4.768 5.814 -12.133 1.00 74.01 H new ATOM 0 HG1 THR A 38 -5.816 5.443 -9.851 1.00 24.45 H new ATOM 0 HG21 THR A 38 -5.498 3.419 -12.646 1.00 35.15 H new ATOM 0 HG22 THR A 38 -3.754 3.706 -12.856 1.00 35.15 H new ATOM 0 HG23 THR A 38 -4.350 2.873 -11.401 1.00 35.15 H new ATOM 600 N TYR A 39 -3.662 4.224 -8.536 1.00 15.54 N ATOM 601 CA TYR A 39 -3.563 3.026 -7.715 1.00 53.20 C ATOM 602 C TYR A 39 -4.912 2.306 -7.802 1.00 5.51 C ATOM 603 O TYR A 39 -5.852 2.832 -8.409 1.00 5.24 O ATOM 604 CB TYR A 39 -3.114 3.376 -6.283 1.00 34.05 C ATOM 605 CG TYR A 39 -4.131 3.996 -5.344 1.00 23.04 C ATOM 606 CD1 TYR A 39 -4.360 5.374 -5.423 1.00 3.35 C ATOM 607 CD2 TYR A 39 -4.742 3.245 -4.317 1.00 64.23 C ATOM 608 CE1 TYR A 39 -5.188 6.017 -4.491 1.00 63.24 C ATOM 609 CE2 TYR A 39 -5.590 3.881 -3.389 1.00 13.12 C ATOM 610 CZ TYR A 39 -5.825 5.274 -3.477 1.00 63.02 C ATOM 611 OH TYR A 39 -6.617 5.928 -2.585 1.00 50.54 O ATOM 0 H TYR A 39 -4.373 4.881 -8.214 1.00 15.54 H new ATOM 0 HA TYR A 39 -2.792 2.346 -8.077 1.00 53.20 H new ATOM 0 HB2 TYR A 39 -2.745 2.462 -5.817 1.00 34.05 H new ATOM 0 HB3 TYR A 39 -2.269 4.060 -6.357 1.00 34.05 H new ATOM 0 HD1 TYR A 39 -3.894 5.949 -6.210 1.00 3.35 H new ATOM 0 HD2 TYR A 39 -4.560 2.183 -4.243 1.00 64.23 H new ATOM 0 HE1 TYR A 39 -5.338 7.085 -4.551 1.00 63.24 H new ATOM 0 HE2 TYR A 39 -6.062 3.304 -2.608 1.00 13.12 H new ATOM 0 HH TYR A 39 -6.989 5.285 -1.946 1.00 50.54 H new ATOM 621 N GLU A 40 -5.021 1.125 -7.197 1.00 4.41 N ATOM 622 CA GLU A 40 -6.279 0.408 -7.003 1.00 4.45 C ATOM 623 C GLU A 40 -6.337 -0.043 -5.537 1.00 71.43 C ATOM 624 O GLU A 40 -5.302 -0.442 -4.991 1.00 34.12 O ATOM 625 CB GLU A 40 -6.406 -0.793 -7.958 1.00 14.32 C ATOM 626 CG GLU A 40 -6.480 -0.413 -9.450 1.00 13.22 C ATOM 627 CD GLU A 40 -6.652 -1.647 -10.354 1.00 35.31 C ATOM 628 OE1 GLU A 40 -7.662 -2.370 -10.206 1.00 62.30 O ATOM 629 OE2 GLU A 40 -5.774 -1.932 -11.216 1.00 11.54 O ATOM 0 H GLU A 40 -4.215 0.627 -6.818 1.00 4.41 H new ATOM 0 HA GLU A 40 -7.117 1.067 -7.231 1.00 4.45 H new ATOM 0 HB2 GLU A 40 -5.553 -1.455 -7.806 1.00 14.32 H new ATOM 0 HB3 GLU A 40 -7.300 -1.359 -7.695 1.00 14.32 H new ATOM 0 HG2 GLU A 40 -7.314 0.271 -9.609 1.00 13.22 H new ATOM 0 HG3 GLU A 40 -5.572 0.120 -9.733 1.00 13.22 H new ATOM 636 N VAL A 41 -7.519 0.029 -4.911 1.00 33.43 N ATOM 637 CA VAL A 41 -7.800 -0.485 -3.564 1.00 42.34 C ATOM 638 C VAL A 41 -9.290 -0.896 -3.466 1.00 5.21 C ATOM 639 O VAL A 41 -10.105 -0.384 -4.233 1.00 65.12 O ATOM 640 CB VAL A 41 -7.362 0.560 -2.505 1.00 64.04 C ATOM 641 CG1 VAL A 41 -8.271 1.792 -2.427 1.00 5.12 C ATOM 642 CG2 VAL A 41 -7.212 -0.053 -1.108 1.00 64.03 C ATOM 0 H VAL A 41 -8.335 0.462 -5.344 1.00 33.43 H new ATOM 0 HA VAL A 41 -7.220 -1.385 -3.361 1.00 42.34 H new ATOM 0 HB VAL A 41 -6.387 0.899 -2.855 1.00 64.04 H new ATOM 0 HG11 VAL A 41 -7.896 2.473 -1.663 1.00 5.12 H new ATOM 0 HG12 VAL A 41 -8.281 2.299 -3.392 1.00 5.12 H new ATOM 0 HG13 VAL A 41 -9.284 1.481 -2.170 1.00 5.12 H new ATOM 0 HG21 VAL A 41 -6.904 0.719 -0.403 1.00 64.03 H new ATOM 0 HG22 VAL A 41 -8.166 -0.474 -0.791 1.00 64.03 H new ATOM 0 HG23 VAL A 41 -6.459 -0.841 -1.135 1.00 64.03 H new ATOM 652 N TYR A 42 -9.659 -1.783 -2.529 1.00 14.33 N ATOM 653 CA TYR A 42 -11.022 -2.093 -2.065 1.00 30.31 C ATOM 654 C TYR A 42 -10.920 -2.868 -0.737 1.00 12.43 C ATOM 655 O TYR A 42 -9.815 -3.261 -0.342 1.00 44.44 O ATOM 656 CB TYR A 42 -11.851 -2.876 -3.114 1.00 53.51 C ATOM 657 CG TYR A 42 -11.523 -4.347 -3.318 1.00 3.24 C ATOM 658 CD1 TYR A 42 -10.240 -4.709 -3.747 1.00 30.22 C ATOM 659 CD2 TYR A 42 -12.510 -5.344 -3.201 1.00 50.33 C ATOM 660 CE1 TYR A 42 -9.892 -6.057 -3.945 1.00 11.43 C ATOM 661 CE2 TYR A 42 -12.194 -6.691 -3.458 1.00 52.13 C ATOM 662 CZ TYR A 42 -10.868 -7.063 -3.778 1.00 71.11 C ATOM 663 OH TYR A 42 -10.535 -8.363 -4.011 1.00 50.24 O ATOM 0 H TYR A 42 -8.962 -2.344 -2.039 1.00 14.33 H new ATOM 0 HA TYR A 42 -11.558 -1.156 -1.912 1.00 30.31 H new ATOM 0 HB2 TYR A 42 -12.902 -2.802 -2.834 1.00 53.51 H new ATOM 0 HB3 TYR A 42 -11.740 -2.371 -4.074 1.00 53.51 H new ATOM 0 HD1 TYR A 42 -9.505 -3.939 -3.929 1.00 30.22 H new ATOM 0 HD2 TYR A 42 -13.515 -5.074 -2.912 1.00 50.33 H new ATOM 0 HE1 TYR A 42 -8.883 -6.321 -4.224 1.00 11.43 H new ATOM 0 HE2 TYR A 42 -12.967 -7.443 -3.411 1.00 52.13 H new ATOM 0 HH TYR A 42 -11.315 -8.934 -3.852 1.00 50.24 H new ATOM 673 N THR A 43 -12.047 -3.104 -0.054 1.00 30.45 N ATOM 674 CA THR A 43 -12.078 -3.800 1.235 1.00 10.45 C ATOM 675 C THR A 43 -13.421 -4.518 1.388 1.00 1.22 C ATOM 676 O THR A 43 -14.451 -3.873 1.201 1.00 32.23 O ATOM 677 CB THR A 43 -11.903 -2.818 2.424 1.00 74.00 C ATOM 678 OG1 THR A 43 -11.365 -1.563 2.031 1.00 12.45 O ATOM 679 CG2 THR A 43 -11.041 -3.415 3.537 1.00 14.23 C ATOM 0 H THR A 43 -12.968 -2.815 -0.384 1.00 30.45 H new ATOM 0 HA THR A 43 -11.251 -4.510 1.250 1.00 10.45 H new ATOM 0 HB THR A 43 -12.910 -2.648 2.806 1.00 74.00 H new ATOM 0 HG1 THR A 43 -11.277 -0.984 2.817 1.00 12.45 H new ATOM 0 HG21 THR A 43 -10.945 -2.694 4.349 1.00 14.23 H new ATOM 0 HG22 THR A 43 -11.510 -4.324 3.913 1.00 14.23 H new ATOM 0 HG23 THR A 43 -10.053 -3.653 3.144 1.00 14.23 H new ATOM 687 N GLY A 44 -13.420 -5.800 1.775 1.00 24.11 N ATOM 688 CA GLY A 44 -14.634 -6.529 2.158 1.00 14.45 C ATOM 689 C GLY A 44 -15.472 -6.897 0.934 1.00 52.12 C ATOM 690 O GLY A 44 -16.169 -6.051 0.371 1.00 1.25 O ATOM 0 H GLY A 44 -12.571 -6.363 1.831 1.00 24.11 H new ATOM 0 HA2 GLY A 44 -14.361 -7.435 2.700 1.00 14.45 H new ATOM 0 HA3 GLY A 44 -15.228 -5.918 2.838 1.00 14.45 H new ATOM 694 N SER A 45 -15.350 -8.144 0.473 1.00 10.33 N ATOM 695 CA SER A 45 -15.975 -8.619 -0.756 1.00 13.13 C ATOM 696 C SER A 45 -16.129 -10.151 -0.730 1.00 14.22 C ATOM 697 O SER A 45 -15.267 -10.847 -1.280 1.00 1.43 O ATOM 698 CB SER A 45 -15.115 -8.173 -1.947 1.00 71.21 C ATOM 699 OG SER A 45 -15.431 -6.859 -2.374 1.00 52.30 O ATOM 0 H SER A 45 -14.805 -8.860 0.953 1.00 10.33 H new ATOM 0 HA SER A 45 -16.974 -8.193 -0.850 1.00 13.13 H new ATOM 0 HB2 SER A 45 -14.062 -8.220 -1.670 1.00 71.21 H new ATOM 0 HB3 SER A 45 -15.258 -8.867 -2.776 1.00 71.21 H new ATOM 0 HG SER A 45 -15.840 -6.894 -3.264 1.00 52.30 H new ATOM 705 N PRO A 46 -17.204 -10.706 -0.138 1.00 14.42 N ATOM 706 CA PRO A 46 -17.477 -12.139 -0.197 1.00 71.24 C ATOM 707 C PRO A 46 -17.601 -12.645 -1.635 1.00 44.50 C ATOM 708 O PRO A 46 -17.100 -13.727 -1.959 1.00 51.12 O ATOM 709 CB PRO A 46 -18.790 -12.363 0.564 1.00 43.50 C ATOM 710 CG PRO A 46 -19.408 -10.972 0.714 1.00 45.44 C ATOM 711 CD PRO A 46 -18.211 -10.026 0.666 1.00 43.32 C ATOM 0 HA PRO A 46 -16.651 -12.695 0.247 1.00 71.24 H new ATOM 0 HB2 PRO A 46 -19.454 -13.032 0.016 1.00 43.50 H new ATOM 0 HB3 PRO A 46 -18.608 -12.820 1.537 1.00 43.50 H new ATOM 0 HG2 PRO A 46 -20.115 -10.761 -0.088 1.00 45.44 H new ATOM 0 HG3 PRO A 46 -19.954 -10.877 1.653 1.00 45.44 H new ATOM 0 HD2 PRO A 46 -18.486 -9.069 0.222 1.00 43.32 H new ATOM 0 HD3 PRO A 46 -17.837 -9.817 1.668 1.00 43.32 H new ATOM 719 N LEU A 47 -18.263 -11.879 -2.507 1.00 21.31 N ATOM 720 CA LEU A 47 -18.565 -12.288 -3.850 1.00 62.11 C ATOM 721 C LEU A 47 -17.426 -11.807 -4.751 1.00 12.32 C ATOM 722 O LEU A 47 -16.654 -12.638 -5.230 1.00 65.20 O ATOM 723 CB LEU A 47 -19.982 -11.797 -4.176 1.00 54.54 C ATOM 724 CG LEU A 47 -20.289 -11.762 -5.668 1.00 1.55 C ATOM 725 CD1 LEU A 47 -20.084 -13.109 -6.361 1.00 61.12 C ATOM 726 CD2 LEU A 47 -21.728 -11.288 -5.883 1.00 30.34 C ATOM 0 H LEU A 47 -18.603 -10.944 -2.280 1.00 21.31 H new ATOM 0 HA LEU A 47 -18.602 -13.366 -4.007 1.00 62.11 H new ATOM 0 HB2 LEU A 47 -20.705 -12.445 -3.680 1.00 54.54 H new ATOM 0 HB3 LEU A 47 -20.115 -10.797 -3.763 1.00 54.54 H new ATOM 0 HG LEU A 47 -19.581 -11.066 -6.119 1.00 1.55 H new ATOM 0 HD11 LEU A 47 -20.320 -13.013 -7.421 1.00 61.12 H new ATOM 0 HD12 LEU A 47 -19.046 -13.422 -6.248 1.00 61.12 H new ATOM 0 HD13 LEU A 47 -20.739 -13.854 -5.909 1.00 61.12 H new ATOM 0 HD21 LEU A 47 -21.947 -11.263 -6.950 1.00 30.34 H new ATOM 0 HD22 LEU A 47 -22.415 -11.974 -5.387 1.00 30.34 H new ATOM 0 HD23 LEU A 47 -21.848 -10.289 -5.464 1.00 30.34 H new ATOM 738 N SER A 48 -17.290 -10.502 -5.002 1.00 53.42 N ATOM 739 CA SER A 48 -16.293 -10.008 -5.941 1.00 32.21 C ATOM 740 C SER A 48 -16.002 -8.518 -5.733 1.00 52.11 C ATOM 741 O SER A 48 -16.448 -7.902 -4.761 1.00 3.34 O ATOM 742 CB SER A 48 -16.724 -10.341 -7.371 1.00 42.34 C ATOM 743 OG SER A 48 -15.589 -10.613 -8.174 1.00 33.05 O ATOM 0 H SER A 48 -17.858 -9.775 -4.567 1.00 53.42 H new ATOM 0 HA SER A 48 -15.346 -10.515 -5.753 1.00 32.21 H new ATOM 0 HB2 SER A 48 -17.390 -11.204 -7.366 1.00 42.34 H new ATOM 0 HB3 SER A 48 -17.285 -9.507 -7.793 1.00 42.34 H new ATOM 0 HG SER A 48 -15.877 -10.826 -9.086 1.00 33.05 H new ATOM 749 N ASN A 49 -15.173 -7.962 -6.619 1.00 51.54 N ATOM 750 CA ASN A 49 -14.724 -6.572 -6.631 1.00 62.30 C ATOM 751 C ASN A 49 -15.901 -5.653 -6.987 1.00 51.14 C ATOM 752 O ASN A 49 -16.013 -5.179 -8.119 1.00 71.04 O ATOM 753 CB ASN A 49 -13.568 -6.400 -7.636 1.00 43.22 C ATOM 754 CG ASN A 49 -12.227 -6.367 -6.940 1.00 54.12 C ATOM 755 OD1 ASN A 49 -11.836 -5.326 -6.446 1.00 51.11 O ATOM 756 ND2 ASN A 49 -11.478 -7.456 -6.941 1.00 21.13 N ATOM 0 H ASN A 49 -14.776 -8.501 -7.389 1.00 51.54 H new ATOM 0 HA ASN A 49 -14.358 -6.299 -5.641 1.00 62.30 H new ATOM 0 HB2 ASN A 49 -13.585 -7.219 -8.355 1.00 43.22 H new ATOM 0 HB3 ASN A 49 -13.709 -5.478 -8.200 1.00 43.22 H new ATOM 0 HD21 ASN A 49 -10.549 -7.436 -6.521 1.00 21.13 H new ATOM 0 HD22 ASN A 49 -11.829 -8.316 -7.362 1.00 21.13 H new ATOM 763 N GLY A 50 -16.801 -5.428 -6.032 1.00 53.13 N ATOM 764 CA GLY A 50 -18.060 -4.720 -6.224 1.00 31.12 C ATOM 765 C GLY A 50 -17.835 -3.284 -6.658 1.00 13.25 C ATOM 766 O GLY A 50 -18.014 -2.947 -7.831 1.00 33.34 O ATOM 0 H GLY A 50 -16.667 -5.745 -5.072 1.00 53.13 H new ATOM 0 HA2 GLY A 50 -18.658 -5.238 -6.974 1.00 31.12 H new ATOM 0 HA3 GLY A 50 -18.631 -4.735 -5.296 1.00 31.12 H new ATOM 770 N VAL A 51 -17.391 -2.463 -5.712 1.00 5.42 N ATOM 771 CA VAL A 51 -17.107 -1.053 -5.909 1.00 34.32 C ATOM 772 C VAL A 51 -15.647 -0.774 -5.515 1.00 64.12 C ATOM 773 O VAL A 51 -15.368 -0.258 -4.432 1.00 63.31 O ATOM 774 CB VAL A 51 -18.201 -0.213 -5.219 1.00 25.31 C ATOM 775 CG1 VAL A 51 -18.456 -0.560 -3.743 1.00 31.05 C ATOM 776 CG2 VAL A 51 -17.924 1.282 -5.399 1.00 43.30 C ATOM 0 H VAL A 51 -17.214 -2.775 -4.757 1.00 5.42 H new ATOM 0 HA VAL A 51 -17.162 -0.748 -6.954 1.00 34.32 H new ATOM 0 HB VAL A 51 -19.129 -0.477 -5.725 1.00 25.31 H new ATOM 0 HG11 VAL A 51 -19.241 0.085 -3.348 1.00 31.05 H new ATOM 0 HG12 VAL A 51 -18.767 -1.602 -3.663 1.00 31.05 H new ATOM 0 HG13 VAL A 51 -17.541 -0.409 -3.170 1.00 31.05 H new ATOM 0 HG21 VAL A 51 -18.706 1.859 -4.906 1.00 43.30 H new ATOM 0 HG22 VAL A 51 -16.958 1.529 -4.958 1.00 43.30 H new ATOM 0 HG23 VAL A 51 -17.910 1.524 -6.462 1.00 43.30 H new ATOM 786 N PRO A 52 -14.683 -1.149 -6.369 1.00 4.43 N ATOM 787 CA PRO A 52 -13.281 -0.875 -6.134 1.00 3.55 C ATOM 788 C PRO A 52 -12.974 0.585 -6.458 1.00 64.03 C ATOM 789 O PRO A 52 -13.751 1.279 -7.123 1.00 1.33 O ATOM 790 CB PRO A 52 -12.531 -1.853 -7.035 1.00 41.21 C ATOM 791 CG PRO A 52 -13.468 -1.989 -8.235 1.00 42.14 C ATOM 792 CD PRO A 52 -14.867 -1.792 -7.653 1.00 3.51 C ATOM 0 HA PRO A 52 -12.983 -1.011 -5.094 1.00 3.55 H new ATOM 0 HB2 PRO A 52 -11.554 -1.468 -7.326 1.00 41.21 H new ATOM 0 HB3 PRO A 52 -12.363 -2.810 -6.542 1.00 41.21 H new ATOM 0 HG2 PRO A 52 -13.247 -1.242 -8.998 1.00 42.14 H new ATOM 0 HG3 PRO A 52 -13.369 -2.966 -8.707 1.00 42.14 H new ATOM 0 HD2 PRO A 52 -15.480 -1.177 -8.312 1.00 3.51 H new ATOM 0 HD3 PRO A 52 -15.380 -2.747 -7.540 1.00 3.51 H new ATOM 800 N PHE A 53 -11.807 1.040 -6.023 1.00 23.04 N ATOM 801 CA PHE A 53 -11.447 2.442 -5.985 1.00 32.35 C ATOM 802 C PHE A 53 -10.194 2.647 -6.821 1.00 71.11 C ATOM 803 O PHE A 53 -9.244 1.868 -6.699 1.00 62.02 O ATOM 804 CB PHE A 53 -11.220 2.827 -4.519 1.00 12.42 C ATOM 805 CG PHE A 53 -11.483 4.283 -4.228 1.00 70.30 C ATOM 806 CD1 PHE A 53 -12.814 4.720 -4.115 1.00 64.11 C ATOM 807 CD2 PHE A 53 -10.427 5.199 -4.079 1.00 71.10 C ATOM 808 CE1 PHE A 53 -13.099 6.073 -3.880 1.00 62.13 C ATOM 809 CE2 PHE A 53 -10.714 6.553 -3.850 1.00 42.20 C ATOM 810 CZ PHE A 53 -12.050 6.995 -3.759 1.00 23.42 C ATOM 0 H PHE A 53 -11.069 0.425 -5.679 1.00 23.04 H new ATOM 0 HA PHE A 53 -12.233 3.074 -6.398 1.00 32.35 H new ATOM 0 HB2 PHE A 53 -11.866 2.217 -3.888 1.00 12.42 H new ATOM 0 HB3 PHE A 53 -10.192 2.591 -4.245 1.00 12.42 H new ATOM 0 HD1 PHE A 53 -13.622 4.010 -4.210 1.00 64.11 H new ATOM 0 HD2 PHE A 53 -9.402 4.863 -4.140 1.00 71.10 H new ATOM 0 HE1 PHE A 53 -14.123 6.404 -3.793 1.00 62.13 H new ATOM 0 HE2 PHE A 53 -9.906 7.262 -3.743 1.00 42.20 H new ATOM 0 HZ PHE A 53 -12.264 8.041 -3.597 1.00 23.42 H new ATOM 820 N ARG A 54 -10.177 3.700 -7.640 1.00 53.23 N ATOM 821 CA ARG A 54 -9.061 4.098 -8.496 1.00 75.23 C ATOM 822 C ARG A 54 -8.774 5.577 -8.256 1.00 33.34 C ATOM 823 O ARG A 54 -9.511 6.429 -8.741 1.00 1.32 O ATOM 824 CB ARG A 54 -9.329 3.761 -9.979 1.00 31.41 C ATOM 825 CG ARG A 54 -10.707 4.178 -10.532 1.00 53.42 C ATOM 826 CD ARG A 54 -11.618 2.970 -10.789 1.00 11.42 C ATOM 827 NE ARG A 54 -13.021 3.396 -10.929 1.00 53.54 N ATOM 828 CZ ARG A 54 -13.942 3.009 -11.817 1.00 35.33 C ATOM 829 NH1 ARG A 54 -13.675 2.099 -12.745 1.00 43.34 N ATOM 830 NH2 ARG A 54 -15.159 3.527 -11.768 1.00 13.32 N ATOM 0 H ARG A 54 -10.978 4.326 -7.728 1.00 53.23 H new ATOM 0 HA ARG A 54 -8.169 3.528 -8.237 1.00 75.23 H new ATOM 0 HB2 ARG A 54 -8.558 4.238 -10.584 1.00 31.41 H new ATOM 0 HB3 ARG A 54 -9.218 2.685 -10.112 1.00 31.41 H new ATOM 0 HG2 ARG A 54 -11.191 4.852 -9.826 1.00 53.42 H new ATOM 0 HG3 ARG A 54 -10.571 4.733 -11.460 1.00 53.42 H new ATOM 0 HD2 ARG A 54 -11.298 2.453 -11.694 1.00 11.42 H new ATOM 0 HD3 ARG A 54 -11.529 2.260 -9.967 1.00 11.42 H new ATOM 0 HE ARG A 54 -13.336 4.088 -10.249 1.00 53.54 H new ATOM 0 HH11 ARG A 54 -12.748 1.676 -12.793 1.00 43.34 H new ATOM 0 HH12 ARG A 54 -14.397 1.822 -13.410 1.00 43.34 H new ATOM 0 HH21 ARG A 54 -15.391 4.218 -11.055 1.00 13.32 H new ATOM 0 HH22 ARG A 54 -15.865 3.235 -12.444 1.00 13.32 H new ATOM 844 N GLY A 55 -7.776 5.897 -7.442 1.00 54.13 N ATOM 845 CA GLY A 55 -7.280 7.238 -7.159 1.00 10.54 C ATOM 846 C GLY A 55 -5.842 7.328 -7.637 1.00 23.01 C ATOM 847 O GLY A 55 -5.388 6.456 -8.379 1.00 15.54 O ATOM 0 H GLY A 55 -7.259 5.182 -6.930 1.00 54.13 H new ATOM 0 HA2 GLY A 55 -7.895 7.984 -7.663 1.00 10.54 H new ATOM 0 HA3 GLY A 55 -7.338 7.446 -6.091 1.00 10.54 H new ATOM 851 N THR A 56 -5.092 8.322 -7.182 1.00 44.44 N ATOM 852 CA THR A 56 -3.676 8.446 -7.493 1.00 42.41 C ATOM 853 C THR A 56 -2.943 8.456 -6.152 1.00 23.31 C ATOM 854 O THR A 56 -3.387 9.077 -5.192 1.00 70.11 O ATOM 855 CB THR A 56 -3.399 9.690 -8.365 1.00 35.24 C ATOM 856 OG1 THR A 56 -4.526 10.103 -9.129 1.00 53.24 O ATOM 857 CG2 THR A 56 -2.299 9.399 -9.385 1.00 14.41 C ATOM 0 H THR A 56 -5.450 9.067 -6.585 1.00 44.44 H new ATOM 0 HA THR A 56 -3.316 7.613 -8.096 1.00 42.41 H new ATOM 0 HB THR A 56 -3.121 10.471 -7.657 1.00 35.24 H new ATOM 0 HG1 THR A 56 -4.291 10.894 -9.658 1.00 53.24 H new ATOM 0 HG21 THR A 56 -2.119 10.288 -9.989 1.00 14.41 H new ATOM 0 HG22 THR A 56 -1.383 9.123 -8.863 1.00 14.41 H new ATOM 0 HG23 THR A 56 -2.610 8.578 -10.031 1.00 14.41 H new ATOM 865 N TYR A 57 -1.849 7.712 -6.039 1.00 11.23 N ATOM 866 CA TYR A 57 -0.984 7.795 -4.877 1.00 13.50 C ATOM 867 C TYR A 57 0.137 8.758 -5.217 1.00 44.53 C ATOM 868 O TYR A 57 0.389 9.086 -6.379 1.00 12.20 O ATOM 869 CB TYR A 57 -0.448 6.424 -4.446 1.00 4.54 C ATOM 870 CG TYR A 57 0.767 5.944 -5.215 1.00 12.41 C ATOM 871 CD1 TYR A 57 0.651 5.465 -6.534 1.00 45.43 C ATOM 872 CD2 TYR A 57 2.035 6.065 -4.621 1.00 44.23 C ATOM 873 CE1 TYR A 57 1.807 5.125 -7.258 1.00 24.40 C ATOM 874 CE2 TYR A 57 3.188 5.705 -5.329 1.00 25.42 C ATOM 875 CZ TYR A 57 3.080 5.245 -6.657 1.00 21.00 C ATOM 876 OH TYR A 57 4.209 4.977 -7.362 1.00 21.44 O ATOM 0 H TYR A 57 -1.542 7.042 -6.744 1.00 11.23 H new ATOM 0 HA TYR A 57 -1.551 8.159 -4.020 1.00 13.50 H new ATOM 0 HB2 TYR A 57 -0.196 6.465 -3.386 1.00 4.54 H new ATOM 0 HB3 TYR A 57 -1.244 5.688 -4.556 1.00 4.54 H new ATOM 0 HD1 TYR A 57 -0.323 5.359 -6.988 1.00 45.43 H new ATOM 0 HD2 TYR A 57 2.121 6.438 -3.611 1.00 44.23 H new ATOM 0 HE1 TYR A 57 1.722 4.772 -8.275 1.00 24.40 H new ATOM 0 HE2 TYR A 57 4.157 5.780 -4.859 1.00 25.42 H new ATOM 0 HH TYR A 57 3.973 4.517 -8.195 1.00 21.44 H new ATOM 886 N ILE A 58 0.832 9.166 -4.173 1.00 65.05 N ATOM 887 CA ILE A 58 1.969 10.068 -4.220 1.00 61.35 C ATOM 888 C ILE A 58 3.014 9.459 -3.291 1.00 2.30 C ATOM 889 O ILE A 58 2.658 8.927 -2.241 1.00 25.21 O ATOM 890 CB ILE A 58 1.519 11.496 -3.817 1.00 63.34 C ATOM 891 CG1 ILE A 58 0.433 12.008 -4.800 1.00 73.04 C ATOM 892 CG2 ILE A 58 2.725 12.445 -3.785 1.00 63.22 C ATOM 893 CD1 ILE A 58 0.012 13.472 -4.637 1.00 13.43 C ATOM 0 H ILE A 58 0.610 8.864 -3.224 1.00 65.05 H new ATOM 0 HA ILE A 58 2.398 10.178 -5.216 1.00 61.35 H new ATOM 0 HB ILE A 58 1.088 11.465 -2.816 1.00 63.34 H new ATOM 0 HG12 ILE A 58 0.798 11.867 -5.818 1.00 73.04 H new ATOM 0 HG13 ILE A 58 -0.452 11.382 -4.689 1.00 73.04 H new ATOM 0 HG21 ILE A 58 2.394 13.444 -3.501 1.00 63.22 H new ATOM 0 HG22 ILE A 58 3.453 12.083 -3.059 1.00 63.22 H new ATOM 0 HG23 ILE A 58 3.185 12.482 -4.773 1.00 63.22 H new ATOM 0 HD11 ILE A 58 -0.750 13.716 -5.377 1.00 13.43 H new ATOM 0 HD12 ILE A 58 -0.391 13.625 -3.636 1.00 13.43 H new ATOM 0 HD13 ILE A 58 0.878 14.118 -4.782 1.00 13.43 H new ATOM 905 N ILE A 59 4.294 9.536 -3.641 1.00 2.32 N ATOM 906 CA ILE A 59 5.383 9.259 -2.714 1.00 54.34 C ATOM 907 C ILE A 59 6.207 10.537 -2.627 1.00 72.41 C ATOM 908 O ILE A 59 6.213 11.334 -3.572 1.00 43.23 O ATOM 909 CB ILE A 59 6.188 8.015 -3.174 1.00 73.32 C ATOM 910 CG1 ILE A 59 6.881 7.327 -1.979 1.00 4.11 C ATOM 911 CG2 ILE A 59 7.235 8.372 -4.248 1.00 74.14 C ATOM 912 CD1 ILE A 59 7.474 5.953 -2.322 1.00 10.10 C ATOM 0 H ILE A 59 4.605 9.793 -4.578 1.00 2.32 H new ATOM 0 HA ILE A 59 5.027 9.000 -1.717 1.00 54.34 H new ATOM 0 HB ILE A 59 5.470 7.323 -3.615 1.00 73.32 H new ATOM 0 HG12 ILE A 59 7.676 7.974 -1.608 1.00 4.11 H new ATOM 0 HG13 ILE A 59 6.161 7.211 -1.169 1.00 4.11 H new ATOM 0 HG21 ILE A 59 7.776 7.473 -4.542 1.00 74.14 H new ATOM 0 HG22 ILE A 59 6.734 8.795 -5.119 1.00 74.14 H new ATOM 0 HG23 ILE A 59 7.937 9.102 -3.844 1.00 74.14 H new ATOM 0 HD11 ILE A 59 7.945 5.528 -1.435 1.00 10.10 H new ATOM 0 HD12 ILE A 59 6.680 5.289 -2.664 1.00 10.10 H new ATOM 0 HD13 ILE A 59 8.219 6.065 -3.110 1.00 10.10 H new ATOM 924 N SER A 60 6.973 10.677 -1.558 1.00 51.43 N ATOM 925 CA SER A 60 7.963 11.724 -1.407 1.00 72.03 C ATOM 926 C SER A 60 9.330 11.078 -1.223 1.00 5.24 C ATOM 927 O SER A 60 9.433 9.929 -0.776 1.00 4.24 O ATOM 928 CB SER A 60 7.613 12.570 -0.189 1.00 1.23 C ATOM 929 OG SER A 60 6.261 12.979 -0.167 1.00 5.33 O ATOM 0 H SER A 60 6.921 10.051 -0.755 1.00 51.43 H new ATOM 0 HA SER A 60 7.980 12.364 -2.289 1.00 72.03 H new ATOM 0 HB2 SER A 60 7.829 12.001 0.715 1.00 1.23 H new ATOM 0 HB3 SER A 60 8.253 13.452 -0.171 1.00 1.23 H new ATOM 0 HG SER A 60 5.996 13.184 0.754 1.00 5.33 H new ATOM 935 N LEU A 61 10.381 11.826 -1.539 1.00 70.01 N ATOM 936 CA LEU A 61 11.761 11.412 -1.353 1.00 45.25 C ATOM 937 C LEU A 61 12.194 11.730 0.069 1.00 31.00 C ATOM 938 O LEU A 61 12.418 10.816 0.852 1.00 70.41 O ATOM 939 CB LEU A 61 12.668 12.097 -2.391 1.00 11.40 C ATOM 940 CG LEU A 61 12.881 11.205 -3.623 1.00 54.15 C ATOM 941 CD1 LEU A 61 11.589 10.886 -4.389 1.00 70.13 C ATOM 942 CD2 LEU A 61 13.866 11.863 -4.584 1.00 13.32 C ATOM 0 H LEU A 61 10.292 12.759 -1.941 1.00 70.01 H new ATOM 0 HA LEU A 61 11.848 10.336 -1.505 1.00 45.25 H new ATOM 0 HB2 LEU A 61 12.223 13.043 -2.698 1.00 11.40 H new ATOM 0 HB3 LEU A 61 13.631 12.330 -1.937 1.00 11.40 H new ATOM 0 HG LEU A 61 13.273 10.263 -3.240 1.00 54.15 H new ATOM 0 HD11 LEU A 61 11.821 10.252 -5.245 1.00 70.13 H new ATOM 0 HD12 LEU A 61 10.894 10.366 -3.730 1.00 70.13 H new ATOM 0 HD13 LEU A 61 11.134 11.813 -4.737 1.00 70.13 H new ATOM 0 HD21 LEU A 61 14.009 11.222 -5.454 1.00 13.32 H new ATOM 0 HD22 LEU A 61 13.472 12.827 -4.905 1.00 13.32 H new ATOM 0 HD23 LEU A 61 14.822 12.011 -4.081 1.00 13.32 H new ATOM 954 N ASP A 62 12.308 13.014 0.414 1.00 50.15 N ATOM 955 CA ASP A 62 13.163 13.432 1.533 1.00 45.55 C ATOM 956 C ASP A 62 12.584 13.081 2.902 1.00 3.33 C ATOM 957 O ASP A 62 13.331 13.014 3.875 1.00 31.22 O ATOM 958 CB ASP A 62 13.433 14.941 1.471 1.00 4.52 C ATOM 959 CG ASP A 62 14.225 15.347 0.230 1.00 30.03 C ATOM 960 OD1 ASP A 62 15.176 14.626 -0.150 1.00 53.32 O ATOM 961 OD2 ASP A 62 13.863 16.395 -0.360 1.00 23.04 O ATOM 0 H ASP A 62 11.825 13.778 -0.059 1.00 50.15 H new ATOM 0 HA ASP A 62 14.094 12.876 1.421 1.00 45.55 H new ATOM 0 HB2 ASP A 62 12.484 15.477 1.483 1.00 4.52 H new ATOM 0 HB3 ASP A 62 13.981 15.245 2.363 1.00 4.52 H new ATOM 966 N GLU A 63 11.272 12.852 2.970 1.00 31.14 N ATOM 967 CA GLU A 63 10.552 12.353 4.146 1.00 4.54 C ATOM 968 C GLU A 63 10.271 10.842 4.040 1.00 13.41 C ATOM 969 O GLU A 63 9.889 10.208 5.023 1.00 51.34 O ATOM 970 CB GLU A 63 9.252 13.167 4.324 1.00 43.15 C ATOM 971 CG GLU A 63 8.329 13.106 3.093 1.00 62.35 C ATOM 972 CD GLU A 63 7.035 13.923 3.201 1.00 1.42 C ATOM 973 OE1 GLU A 63 6.861 14.711 4.156 1.00 33.11 O ATOM 974 OE2 GLU A 63 6.193 13.806 2.282 1.00 43.52 O ATOM 0 H GLU A 63 10.655 13.016 2.175 1.00 31.14 H new ATOM 0 HA GLU A 63 11.176 12.486 5.030 1.00 4.54 H new ATOM 0 HB2 GLU A 63 8.712 12.793 5.194 1.00 43.15 H new ATOM 0 HB3 GLU A 63 9.506 14.207 4.529 1.00 43.15 H new ATOM 0 HG2 GLU A 63 8.887 13.454 2.224 1.00 62.35 H new ATOM 0 HG3 GLU A 63 8.067 12.064 2.908 1.00 62.35 H new ATOM 981 N LYS A 64 10.456 10.270 2.842 1.00 43.41 N ATOM 982 CA LYS A 64 10.222 8.876 2.476 1.00 4.33 C ATOM 983 C LYS A 64 8.896 8.365 3.040 1.00 14.13 C ATOM 984 O LYS A 64 8.820 7.468 3.891 1.00 31.43 O ATOM 985 CB LYS A 64 11.455 8.037 2.804 1.00 63.41 C ATOM 986 CG LYS A 64 11.574 6.860 1.827 1.00 72.34 C ATOM 987 CD LYS A 64 12.797 6.024 2.190 1.00 3.12 C ATOM 988 CE LYS A 64 14.113 6.705 1.815 1.00 51.42 C ATOM 989 NZ LYS A 64 15.180 6.335 2.762 1.00 12.21 N ATOM 0 H LYS A 64 10.798 10.814 2.050 1.00 43.41 H new ATOM 0 HA LYS A 64 10.092 8.784 1.398 1.00 4.33 H new ATOM 0 HB2 LYS A 64 12.350 8.657 2.748 1.00 63.41 H new ATOM 0 HB3 LYS A 64 11.388 7.665 3.826 1.00 63.41 H new ATOM 0 HG2 LYS A 64 10.674 6.246 1.868 1.00 72.34 H new ATOM 0 HG3 LYS A 64 11.662 7.228 0.805 1.00 72.34 H new ATOM 0 HD2 LYS A 64 12.789 5.824 3.261 1.00 3.12 H new ATOM 0 HD3 LYS A 64 12.735 5.060 1.685 1.00 3.12 H new ATOM 0 HE2 LYS A 64 14.402 6.418 0.804 1.00 51.42 H new ATOM 0 HE3 LYS A 64 13.981 7.787 1.813 1.00 51.42 H new ATOM 0 HZ1 LYS A 64 16.065 6.808 2.490 1.00 12.21 H new ATOM 0 HZ2 LYS A 64 14.910 6.631 3.722 1.00 12.21 H new ATOM 0 HZ3 LYS A 64 15.318 5.304 2.744 1.00 12.21 H new ATOM 1003 N LEU A 65 7.828 8.964 2.529 1.00 41.32 N ATOM 1004 CA LEU A 65 6.452 8.788 2.958 1.00 65.04 C ATOM 1005 C LEU A 65 5.643 8.555 1.687 1.00 44.52 C ATOM 1006 O LEU A 65 6.015 9.055 0.622 1.00 52.31 O ATOM 1007 CB LEU A 65 6.020 10.058 3.708 1.00 14.42 C ATOM 1008 CG LEU A 65 4.591 10.027 4.296 1.00 31.42 C ATOM 1009 CD1 LEU A 65 4.558 9.870 5.819 1.00 63.23 C ATOM 1010 CD2 LEU A 65 3.886 11.324 3.941 1.00 23.33 C ATOM 0 H LEU A 65 7.908 9.626 1.757 1.00 41.32 H new ATOM 0 HA LEU A 65 6.308 7.947 3.636 1.00 65.04 H new ATOM 0 HB2 LEU A 65 6.725 10.238 4.520 1.00 14.42 H new ATOM 0 HB3 LEU A 65 6.096 10.905 3.027 1.00 14.42 H new ATOM 0 HG LEU A 65 4.096 9.156 3.867 1.00 31.42 H new ATOM 0 HD11 LEU A 65 3.523 9.856 6.161 1.00 63.23 H new ATOM 0 HD12 LEU A 65 5.045 8.936 6.099 1.00 63.23 H new ATOM 0 HD13 LEU A 65 5.082 10.706 6.282 1.00 63.23 H new ATOM 0 HD21 LEU A 65 2.876 11.313 4.351 1.00 23.33 H new ATOM 0 HD22 LEU A 65 4.439 12.165 4.360 1.00 23.33 H new ATOM 0 HD23 LEU A 65 3.836 11.426 2.857 1.00 23.33 H new ATOM 1022 N ILE A 66 4.563 7.790 1.786 1.00 70.02 N ATOM 1023 CA ILE A 66 3.592 7.577 0.728 1.00 22.02 C ATOM 1024 C ILE A 66 2.279 8.168 1.213 1.00 62.05 C ATOM 1025 O ILE A 66 1.920 8.039 2.385 1.00 1.54 O ATOM 1026 CB ILE A 66 3.488 6.080 0.347 1.00 61.14 C ATOM 1027 CG1 ILE A 66 2.362 5.855 -0.682 1.00 2.24 C ATOM 1028 CG2 ILE A 66 3.329 5.150 1.564 1.00 50.24 C ATOM 1029 CD1 ILE A 66 2.391 4.489 -1.361 1.00 74.43 C ATOM 0 H ILE A 66 4.333 7.282 2.640 1.00 70.02 H new ATOM 0 HA ILE A 66 3.894 8.073 -0.194 1.00 22.02 H new ATOM 0 HB ILE A 66 4.440 5.810 -0.111 1.00 61.14 H new ATOM 0 HG12 ILE A 66 1.401 5.979 -0.183 1.00 2.24 H new ATOM 0 HG13 ILE A 66 2.426 6.629 -1.447 1.00 2.24 H new ATOM 0 HG21 ILE A 66 3.262 4.116 1.226 1.00 50.24 H new ATOM 0 HG22 ILE A 66 4.191 5.261 2.222 1.00 50.24 H new ATOM 0 HG23 ILE A 66 2.421 5.413 2.107 1.00 50.24 H new ATOM 0 HD11 ILE A 66 1.565 4.417 -2.068 1.00 74.43 H new ATOM 0 HD12 ILE A 66 3.335 4.367 -1.892 1.00 74.43 H new ATOM 0 HD13 ILE A 66 2.294 3.706 -0.608 1.00 74.43 H new ATOM 1041 N LYS A 67 1.516 8.759 0.305 1.00 33.44 N ATOM 1042 CA LYS A 67 0.165 9.213 0.552 1.00 72.11 C ATOM 1043 C LYS A 67 -0.725 8.641 -0.532 1.00 34.20 C ATOM 1044 O LYS A 67 -0.285 8.393 -1.655 1.00 12.41 O ATOM 1045 CB LYS A 67 0.121 10.729 0.571 1.00 14.20 C ATOM 1046 CG LYS A 67 1.111 11.351 1.559 1.00 10.44 C ATOM 1047 CD LYS A 67 0.617 12.741 1.943 1.00 14.44 C ATOM 1048 CE LYS A 67 1.631 13.457 2.837 1.00 73.41 C ATOM 1049 NZ LYS A 67 1.431 14.918 2.837 1.00 63.31 N ATOM 0 H LYS A 67 1.833 8.938 -0.648 1.00 33.44 H new ATOM 0 HA LYS A 67 -0.188 8.870 1.525 1.00 72.11 H new ATOM 0 HB2 LYS A 67 0.333 11.104 -0.430 1.00 14.20 H new ATOM 0 HB3 LYS A 67 -0.888 11.053 0.826 1.00 14.20 H new ATOM 0 HG2 LYS A 67 1.202 10.725 2.446 1.00 10.44 H new ATOM 0 HG3 LYS A 67 2.102 11.414 1.110 1.00 10.44 H new ATOM 0 HD2 LYS A 67 0.441 13.330 1.043 1.00 14.44 H new ATOM 0 HD3 LYS A 67 -0.338 12.661 2.462 1.00 14.44 H new ATOM 0 HE2 LYS A 67 1.547 13.079 3.856 1.00 73.41 H new ATOM 0 HE3 LYS A 67 2.641 13.229 2.495 1.00 73.41 H new ATOM 0 HZ1 LYS A 67 2.138 15.365 3.455 1.00 63.31 H new ATOM 0 HZ2 LYS A 67 1.537 15.283 1.869 1.00 63.31 H new ATOM 0 HZ3 LYS A 67 0.477 15.138 3.187 1.00 63.31 H new ATOM 1063 N LEU A 68 -1.986 8.455 -0.190 1.00 4.43 N ATOM 1064 CA LEU A 68 -3.020 7.898 -1.036 1.00 42.30 C ATOM 1065 C LEU A 68 -4.038 9.026 -1.151 1.00 25.32 C ATOM 1066 O LEU A 68 -4.442 9.588 -0.123 1.00 70.21 O ATOM 1067 CB LEU A 68 -3.560 6.633 -0.338 1.00 13.45 C ATOM 1068 CG LEU A 68 -2.546 5.461 -0.409 1.00 54.31 C ATOM 1069 CD1 LEU A 68 -2.499 4.605 0.868 1.00 14.32 C ATOM 1070 CD2 LEU A 68 -2.899 4.573 -1.600 1.00 12.54 C ATOM 0 H LEU A 68 -2.333 8.703 0.737 1.00 4.43 H new ATOM 0 HA LEU A 68 -2.706 7.583 -2.031 1.00 42.30 H new ATOM 0 HB2 LEU A 68 -3.782 6.860 0.705 1.00 13.45 H new ATOM 0 HB3 LEU A 68 -4.498 6.332 -0.805 1.00 13.45 H new ATOM 0 HG LEU A 68 -1.556 5.904 -0.520 1.00 54.31 H new ATOM 0 HD11 LEU A 68 -1.768 3.806 0.744 1.00 14.32 H new ATOM 0 HD12 LEU A 68 -2.213 5.230 1.714 1.00 14.32 H new ATOM 0 HD13 LEU A 68 -3.482 4.172 1.052 1.00 14.32 H new ATOM 0 HD21 LEU A 68 -2.192 3.746 -1.659 1.00 12.54 H new ATOM 0 HD22 LEU A 68 -3.908 4.180 -1.474 1.00 12.54 H new ATOM 0 HD23 LEU A 68 -2.850 5.159 -2.518 1.00 12.54 H new ATOM 1082 N TYR A 69 -4.365 9.405 -2.385 1.00 14.11 N ATOM 1083 CA TYR A 69 -5.246 10.510 -2.705 1.00 61.12 C ATOM 1084 C TYR A 69 -6.370 10.017 -3.606 1.00 5.45 C ATOM 1085 O TYR A 69 -6.141 9.340 -4.611 1.00 21.01 O ATOM 1086 CB TYR A 69 -4.465 11.632 -3.393 1.00 62.04 C ATOM 1087 CG TYR A 69 -3.703 12.541 -2.459 1.00 30.12 C ATOM 1088 CD1 TYR A 69 -4.393 13.606 -1.872 1.00 64.24 C ATOM 1089 CD2 TYR A 69 -2.332 12.367 -2.200 1.00 31.23 C ATOM 1090 CE1 TYR A 69 -3.731 14.547 -1.081 1.00 5.44 C ATOM 1091 CE2 TYR A 69 -1.644 13.312 -1.411 1.00 74.41 C ATOM 1092 CZ TYR A 69 -2.337 14.427 -0.877 1.00 24.15 C ATOM 1093 OH TYR A 69 -1.682 15.411 -0.202 1.00 30.03 O ATOM 0 H TYR A 69 -4.008 8.930 -3.214 1.00 14.11 H new ATOM 0 HA TYR A 69 -5.673 10.907 -1.784 1.00 61.12 H new ATOM 0 HB2 TYR A 69 -3.762 11.187 -4.097 1.00 62.04 H new ATOM 0 HB3 TYR A 69 -5.161 12.235 -3.976 1.00 62.04 H new ATOM 0 HD1 TYR A 69 -5.457 13.702 -2.033 1.00 64.24 H new ATOM 0 HD2 TYR A 69 -1.808 11.513 -2.604 1.00 31.23 H new ATOM 0 HE1 TYR A 69 -4.279 15.360 -0.629 1.00 5.44 H new ATOM 0 HE2 TYR A 69 -0.590 13.186 -1.214 1.00 74.41 H new ATOM 0 HH TYR A 69 -0.730 15.187 -0.140 1.00 30.03 H new ATOM 1103 N ASP A 70 -7.604 10.382 -3.277 1.00 24.43 N ATOM 1104 CA ASP A 70 -8.725 10.066 -4.151 1.00 13.15 C ATOM 1105 C ASP A 70 -8.805 11.008 -5.345 1.00 1.14 C ATOM 1106 O ASP A 70 -7.932 11.845 -5.595 1.00 24.11 O ATOM 1107 CB ASP A 70 -10.062 10.005 -3.407 1.00 23.13 C ATOM 1108 CG ASP A 70 -10.748 11.336 -3.116 1.00 45.51 C ATOM 1109 OD1 ASP A 70 -10.117 12.400 -3.245 1.00 43.41 O ATOM 1110 OD2 ASP A 70 -11.960 11.283 -2.832 1.00 14.41 O ATOM 0 H ASP A 70 -7.850 10.888 -2.426 1.00 24.43 H new ATOM 0 HA ASP A 70 -8.529 9.064 -4.532 1.00 13.15 H new ATOM 0 HB2 ASP A 70 -10.747 9.390 -3.990 1.00 23.13 H new ATOM 0 HB3 ASP A 70 -9.900 9.492 -2.459 1.00 23.13 H new ATOM 1115 N LYS A 71 -9.891 10.833 -6.091 1.00 71.03 N ATOM 1116 CA LYS A 71 -10.211 11.625 -7.272 1.00 31.03 C ATOM 1117 C LYS A 71 -10.327 13.117 -6.956 1.00 52.41 C ATOM 1118 O LYS A 71 -9.862 13.930 -7.755 1.00 4.54 O ATOM 1119 CB LYS A 71 -11.446 11.072 -8.014 1.00 31.14 C ATOM 1120 CG LYS A 71 -12.832 11.270 -7.371 1.00 43.13 C ATOM 1121 CD LYS A 71 -13.160 10.366 -6.171 1.00 44.40 C ATOM 1122 CE LYS A 71 -14.491 10.770 -5.522 1.00 10.14 C ATOM 1123 NZ LYS A 71 -15.680 10.417 -6.327 1.00 51.32 N ATOM 0 H LYS A 71 -10.590 10.119 -5.885 1.00 71.03 H new ATOM 0 HA LYS A 71 -9.370 11.530 -7.959 1.00 31.03 H new ATOM 0 HB2 LYS A 71 -11.471 11.527 -9.004 1.00 31.14 H new ATOM 0 HB3 LYS A 71 -11.296 10.002 -8.158 1.00 31.14 H new ATOM 0 HG2 LYS A 71 -12.916 12.308 -7.050 1.00 43.13 H new ATOM 0 HG3 LYS A 71 -13.591 11.111 -8.137 1.00 43.13 H new ATOM 0 HD2 LYS A 71 -13.212 9.327 -6.498 1.00 44.40 H new ATOM 0 HD3 LYS A 71 -12.359 10.429 -5.435 1.00 44.40 H new ATOM 0 HE2 LYS A 71 -14.569 10.290 -4.546 1.00 10.14 H new ATOM 0 HE3 LYS A 71 -14.488 11.846 -5.349 1.00 10.14 H new ATOM 0 HZ1 LYS A 71 -16.540 10.720 -5.827 1.00 51.32 H new ATOM 0 HZ2 LYS A 71 -15.629 10.895 -7.249 1.00 51.32 H new ATOM 0 HZ3 LYS A 71 -15.708 9.388 -6.472 1.00 51.32 H new ATOM 1137 N GLU A 72 -10.884 13.483 -5.800 1.00 31.23 N ATOM 1138 CA GLU A 72 -11.001 14.855 -5.314 1.00 33.11 C ATOM 1139 C GLU A 72 -9.696 15.318 -4.649 1.00 65.01 C ATOM 1140 O GLU A 72 -9.637 16.416 -4.103 1.00 70.22 O ATOM 1141 CB GLU A 72 -12.182 14.972 -4.338 1.00 4.33 C ATOM 1142 CG GLU A 72 -13.546 14.823 -5.026 1.00 3.34 C ATOM 1143 CD GLU A 72 -14.710 15.185 -4.097 1.00 51.12 C ATOM 1144 OE1 GLU A 72 -14.572 15.081 -2.857 1.00 72.31 O ATOM 1145 OE2 GLU A 72 -15.801 15.525 -4.608 1.00 14.25 O ATOM 0 H GLU A 72 -11.281 12.803 -5.152 1.00 31.23 H new ATOM 0 HA GLU A 72 -11.188 15.507 -6.167 1.00 33.11 H new ATOM 0 HB2 GLU A 72 -12.085 14.208 -3.566 1.00 4.33 H new ATOM 0 HB3 GLU A 72 -12.138 15.939 -3.837 1.00 4.33 H new ATOM 0 HG2 GLU A 72 -13.577 15.462 -5.909 1.00 3.34 H new ATOM 0 HG3 GLU A 72 -13.666 13.796 -5.371 1.00 3.34 H new ATOM 1152 N GLU A 73 -8.632 14.515 -4.692 1.00 52.21 N ATOM 1153 CA GLU A 73 -7.384 14.717 -3.970 1.00 44.22 C ATOM 1154 C GLU A 73 -7.613 14.992 -2.485 1.00 2.44 C ATOM 1155 O GLU A 73 -6.894 15.773 -1.860 1.00 5.11 O ATOM 1156 CB GLU A 73 -6.481 15.743 -4.673 1.00 24.02 C ATOM 1157 CG GLU A 73 -5.921 15.134 -5.959 1.00 50.32 C ATOM 1158 CD GLU A 73 -4.963 16.054 -6.709 1.00 51.41 C ATOM 1159 OE1 GLU A 73 -4.221 16.848 -6.082 1.00 65.32 O ATOM 1160 OE2 GLU A 73 -4.886 15.887 -7.947 1.00 20.15 O ATOM 0 H GLU A 73 -8.621 13.667 -5.259 1.00 52.21 H new ATOM 0 HA GLU A 73 -6.829 13.779 -3.995 1.00 44.22 H new ATOM 0 HB2 GLU A 73 -7.048 16.645 -4.902 1.00 24.02 H new ATOM 0 HB3 GLU A 73 -5.665 16.038 -4.013 1.00 24.02 H new ATOM 0 HG2 GLU A 73 -5.403 14.206 -5.715 1.00 50.32 H new ATOM 0 HG3 GLU A 73 -6.750 14.873 -6.617 1.00 50.32 H new ATOM 1167 N HIS A 74 -8.571 14.297 -1.883 1.00 64.00 N ATOM 1168 CA HIS A 74 -8.546 14.087 -0.453 1.00 34.41 C ATOM 1169 C HIS A 74 -7.381 13.172 -0.155 1.00 51.14 C ATOM 1170 O HIS A 74 -7.323 12.048 -0.653 1.00 72.31 O ATOM 1171 CB HIS A 74 -9.835 13.427 0.039 1.00 42.20 C ATOM 1172 CG HIS A 74 -11.035 14.319 -0.036 1.00 5.34 C ATOM 1173 ND1 HIS A 74 -11.334 15.211 -1.037 1.00 2.53 N ATOM 1174 CD2 HIS A 74 -12.042 14.350 0.882 1.00 72.23 C ATOM 1175 CE1 HIS A 74 -12.511 15.769 -0.732 1.00 74.24 C ATOM 1176 NE2 HIS A 74 -12.977 15.296 0.441 1.00 14.22 N ATOM 0 H HIS A 74 -9.366 13.875 -2.364 1.00 64.00 H new ATOM 0 HA HIS A 74 -8.450 15.047 0.054 1.00 34.41 H new ATOM 0 HB2 HIS A 74 -10.022 12.531 -0.552 1.00 42.20 H new ATOM 0 HB3 HIS A 74 -9.697 13.105 1.071 1.00 42.20 H new ATOM 0 HD2 HIS A 74 -12.107 13.756 1.782 1.00 72.23 H new ATOM 0 HE1 HIS A 74 -13.019 16.500 -1.343 1.00 74.24 H new ATOM 0 HE2 HIS A 74 -13.838 15.572 0.913 1.00 14.22 H new ATOM 1184 N CYS A 75 -6.462 13.670 0.658 1.00 63.34 N ATOM 1185 CA CYS A 75 -5.540 12.853 1.407 1.00 2.54 C ATOM 1186 C CYS A 75 -6.350 11.937 2.328 1.00 62.44 C ATOM 1187 O CYS A 75 -6.901 12.429 3.314 1.00 45.41 O ATOM 1188 CB CYS A 75 -4.571 13.770 2.177 1.00 5.52 C ATOM 1189 SG CYS A 75 -5.313 15.329 2.756 1.00 62.44 S ATOM 0 H CYS A 75 -6.340 14.671 0.813 1.00 63.34 H new ATOM 0 HA CYS A 75 -4.936 12.222 0.755 1.00 2.54 H new ATOM 0 HB2 CYS A 75 -4.181 13.226 3.037 1.00 5.52 H new ATOM 0 HB3 CYS A 75 -3.722 14.002 1.535 1.00 5.52 H new ATOM 0 HG CYS A 75 -4.418 16.025 3.392 1.00 62.44 H new ATOM 1195 N THR A 76 -6.490 10.650 1.993 1.00 64.23 N ATOM 1196 CA THR A 76 -7.270 9.734 2.823 1.00 71.31 C ATOM 1197 C THR A 76 -6.360 9.126 3.892 1.00 13.23 C ATOM 1198 O THR A 76 -6.723 9.079 5.063 1.00 43.22 O ATOM 1199 CB THR A 76 -8.019 8.688 1.970 1.00 24.33 C ATOM 1200 OG1 THR A 76 -7.172 7.698 1.400 1.00 2.43 O ATOM 1201 CG2 THR A 76 -8.787 9.340 0.815 1.00 2.34 C ATOM 0 H THR A 76 -6.078 10.225 1.162 1.00 64.23 H new ATOM 0 HA THR A 76 -8.058 10.283 3.339 1.00 71.31 H new ATOM 0 HB THR A 76 -8.699 8.211 2.676 1.00 24.33 H new ATOM 0 HG1 THR A 76 -7.711 7.069 0.876 1.00 2.43 H new ATOM 0 HG21 THR A 76 -9.300 8.570 0.239 1.00 2.34 H new ATOM 0 HG22 THR A 76 -9.518 10.042 1.215 1.00 2.34 H new ATOM 0 HG23 THR A 76 -8.089 9.872 0.168 1.00 2.34 H new ATOM 1209 N GLU A 77 -5.150 8.687 3.514 1.00 70.34 N ATOM 1210 CA GLU A 77 -4.156 8.240 4.481 1.00 73.21 C ATOM 1211 C GLU A 77 -2.726 8.428 3.985 1.00 53.11 C ATOM 1212 O GLU A 77 -2.498 8.666 2.791 1.00 53.40 O ATOM 1213 CB GLU A 77 -4.393 6.785 4.887 1.00 43.54 C ATOM 1214 CG GLU A 77 -4.102 5.677 3.870 1.00 50.43 C ATOM 1215 CD GLU A 77 -4.845 4.344 4.072 1.00 62.20 C ATOM 1216 OE1 GLU A 77 -5.843 4.257 4.818 1.00 42.41 O ATOM 1217 OE2 GLU A 77 -4.408 3.321 3.491 1.00 34.31 O ATOM 0 H GLU A 77 -4.843 8.635 2.543 1.00 70.34 H new ATOM 0 HA GLU A 77 -4.278 8.873 5.360 1.00 73.21 H new ATOM 0 HB2 GLU A 77 -3.789 6.587 5.772 1.00 43.54 H new ATOM 0 HB3 GLU A 77 -5.437 6.692 5.186 1.00 43.54 H new ATOM 0 HG2 GLU A 77 -4.343 6.055 2.876 1.00 50.43 H new ATOM 0 HG3 GLU A 77 -3.031 5.475 3.883 1.00 50.43 H new ATOM 1224 N GLN A 78 -1.754 8.340 4.897 1.00 25.13 N ATOM 1225 CA GLN A 78 -0.355 8.597 4.619 1.00 74.02 C ATOM 1226 C GLN A 78 0.550 7.736 5.527 1.00 31.04 C ATOM 1227 O GLN A 78 0.600 8.004 6.729 1.00 21.00 O ATOM 1228 CB GLN A 78 -0.045 10.100 4.767 1.00 34.13 C ATOM 1229 CG GLN A 78 -0.456 10.761 6.095 1.00 31.44 C ATOM 1230 CD GLN A 78 0.721 11.333 6.886 1.00 74.41 C ATOM 1231 OE1 GLN A 78 1.104 12.498 6.743 1.00 62.01 O ATOM 1232 NE2 GLN A 78 1.296 10.536 7.763 1.00 33.40 N ATOM 0 H GLN A 78 -1.931 8.082 5.868 1.00 25.13 H new ATOM 0 HA GLN A 78 -0.145 8.314 3.587 1.00 74.02 H new ATOM 0 HB2 GLN A 78 1.028 10.241 4.634 1.00 34.13 H new ATOM 0 HB3 GLN A 78 -0.540 10.632 3.954 1.00 34.13 H new ATOM 0 HG2 GLN A 78 -1.167 11.561 5.888 1.00 31.44 H new ATOM 0 HG3 GLN A 78 -0.974 10.026 6.711 1.00 31.44 H new ATOM 0 HE21 GLN A 78 0.969 9.576 7.871 1.00 33.40 H new ATOM 0 HE22 GLN A 78 2.068 10.879 8.335 1.00 33.40 H new ATOM 1241 N TYR A 79 1.243 6.723 4.993 1.00 10.51 N ATOM 1242 CA TYR A 79 2.183 5.893 5.751 1.00 21.42 C ATOM 1243 C TYR A 79 3.609 6.389 5.518 1.00 25.32 C ATOM 1244 O TYR A 79 3.941 6.810 4.406 1.00 50.53 O ATOM 1245 CB TYR A 79 2.134 4.432 5.275 1.00 52.55 C ATOM 1246 CG TYR A 79 0.775 3.770 5.273 1.00 14.32 C ATOM 1247 CD1 TYR A 79 -0.058 3.914 4.152 1.00 62.35 C ATOM 1248 CD2 TYR A 79 0.371 2.953 6.345 1.00 44.33 C ATOM 1249 CE1 TYR A 79 -1.323 3.312 4.126 1.00 45.43 C ATOM 1250 CE2 TYR A 79 -0.870 2.295 6.292 1.00 11.30 C ATOM 1251 CZ TYR A 79 -1.749 2.526 5.213 1.00 2.54 C ATOM 1252 OH TYR A 79 -2.981 1.953 5.210 1.00 3.40 O ATOM 0 H TYR A 79 1.165 6.455 4.012 1.00 10.51 H new ATOM 0 HA TYR A 79 1.904 5.957 6.803 1.00 21.42 H new ATOM 0 HB2 TYR A 79 2.536 4.389 4.263 1.00 52.55 H new ATOM 0 HB3 TYR A 79 2.799 3.844 5.908 1.00 52.55 H new ATOM 0 HD1 TYR A 79 0.278 4.492 3.304 1.00 62.35 H new ATOM 0 HD2 TYR A 79 1.012 2.832 7.206 1.00 44.33 H new ATOM 0 HE1 TYR A 79 -1.970 3.451 3.273 1.00 45.43 H new ATOM 0 HE2 TYR A 79 -1.151 1.611 7.079 1.00 11.30 H new ATOM 0 HH TYR A 79 -3.494 2.285 4.444 1.00 3.40 H new ATOM 1262 N HIS A 80 4.505 6.226 6.494 1.00 63.42 N ATOM 1263 CA HIS A 80 5.936 6.276 6.192 1.00 61.42 C ATOM 1264 C HIS A 80 6.320 4.939 5.530 1.00 2.52 C ATOM 1265 O HIS A 80 5.754 3.896 5.873 1.00 61.45 O ATOM 1266 CB HIS A 80 6.765 6.488 7.474 1.00 14.44 C ATOM 1267 CG HIS A 80 6.984 7.933 7.862 1.00 4.30 C ATOM 1268 ND1 HIS A 80 6.713 8.484 9.095 1.00 72.12 N ATOM 1269 CD2 HIS A 80 7.533 8.923 7.086 1.00 33.03 C ATOM 1270 CE1 HIS A 80 7.035 9.785 9.047 1.00 14.43 C ATOM 1271 NE2 HIS A 80 7.550 10.098 7.845 1.00 73.33 N ATOM 0 H HIS A 80 4.274 6.063 7.474 1.00 63.42 H new ATOM 0 HA HIS A 80 6.145 7.113 5.526 1.00 61.42 H new ATOM 0 HB2 HIS A 80 6.268 5.977 8.299 1.00 14.44 H new ATOM 0 HB3 HIS A 80 7.737 6.011 7.343 1.00 14.44 H new ATOM 0 HD2 HIS A 80 7.888 8.814 6.072 1.00 33.03 H new ATOM 0 HE1 HIS A 80 6.900 10.483 9.860 1.00 14.43 H new ATOM 0 HE2 HIS A 80 7.887 11.013 7.545 1.00 73.33 H new ATOM 1279 N ILE A 81 7.322 4.924 4.640 1.00 11.20 N ATOM 1280 CA ILE A 81 7.952 3.678 4.200 1.00 32.21 C ATOM 1281 C ILE A 81 9.159 3.436 5.100 1.00 3.34 C ATOM 1282 O ILE A 81 10.025 4.311 5.226 1.00 41.54 O ATOM 1283 CB ILE A 81 8.386 3.730 2.719 1.00 72.24 C ATOM 1284 CG1 ILE A 81 7.201 3.973 1.755 1.00 61.12 C ATOM 1285 CG2 ILE A 81 9.109 2.426 2.323 1.00 31.40 C ATOM 1286 CD1 ILE A 81 7.102 5.442 1.368 1.00 14.31 C ATOM 0 H ILE A 81 7.712 5.764 4.212 1.00 11.20 H new ATOM 0 HA ILE A 81 7.232 2.864 4.277 1.00 32.21 H new ATOM 0 HB ILE A 81 9.065 4.577 2.626 1.00 72.24 H new ATOM 0 HG12 ILE A 81 7.327 3.365 0.859 1.00 61.12 H new ATOM 0 HG13 ILE A 81 6.272 3.655 2.228 1.00 61.12 H new ATOM 0 HG21 ILE A 81 9.408 2.479 1.276 1.00 31.40 H new ATOM 0 HG22 ILE A 81 9.993 2.296 2.947 1.00 31.40 H new ATOM 0 HG23 ILE A 81 8.437 1.580 2.466 1.00 31.40 H new ATOM 0 HD11 ILE A 81 6.260 5.584 0.690 1.00 14.31 H new ATOM 0 HD12 ILE A 81 6.952 6.045 2.264 1.00 14.31 H new ATOM 0 HD13 ILE A 81 8.023 5.751 0.873 1.00 14.31 H new ATOM 1298 N LEU A 82 9.262 2.234 5.665 1.00 30.42 N ATOM 1299 CA LEU A 82 10.434 1.781 6.403 1.00 22.42 C ATOM 1300 C LEU A 82 11.353 0.970 5.503 1.00 32.42 C ATOM 1301 O LEU A 82 12.487 1.380 5.277 1.00 71.14 O ATOM 1302 CB LEU A 82 10.030 0.947 7.622 1.00 42.25 C ATOM 1303 CG LEU A 82 9.260 1.739 8.682 1.00 42.12 C ATOM 1304 CD1 LEU A 82 8.886 0.773 9.804 1.00 65.41 C ATOM 1305 CD2 LEU A 82 10.103 2.872 9.252 1.00 11.53 C ATOM 0 H LEU A 82 8.518 1.537 5.620 1.00 30.42 H new ATOM 0 HA LEU A 82 10.968 2.665 6.751 1.00 22.42 H new ATOM 0 HB2 LEU A 82 9.417 0.109 7.291 1.00 42.25 H new ATOM 0 HB3 LEU A 82 10.927 0.526 8.076 1.00 42.25 H new ATOM 0 HG LEU A 82 8.374 2.182 8.227 1.00 42.12 H new ATOM 0 HD11 LEU A 82 8.335 1.309 10.577 1.00 65.41 H new ATOM 0 HD12 LEU A 82 8.264 -0.027 9.403 1.00 65.41 H new ATOM 0 HD13 LEU A 82 9.792 0.347 10.234 1.00 65.41 H new ATOM 0 HD21 LEU A 82 9.526 3.414 10.001 1.00 11.53 H new ATOM 0 HD22 LEU A 82 11.001 2.461 9.713 1.00 11.53 H new ATOM 0 HD23 LEU A 82 10.386 3.554 8.450 1.00 11.53 H new ATOM 1317 N LYS A 83 10.908 -0.177 4.991 1.00 24.10 N ATOM 1318 CA LYS A 83 11.769 -1.126 4.293 1.00 52.52 C ATOM 1319 C LYS A 83 10.930 -1.852 3.276 1.00 53.31 C ATOM 1320 O LYS A 83 9.808 -2.240 3.580 1.00 30.04 O ATOM 1321 CB LYS A 83 12.335 -2.142 5.285 1.00 2.23 C ATOM 1322 CG LYS A 83 13.530 -1.625 6.088 1.00 50.42 C ATOM 1323 CD LYS A 83 14.836 -1.459 5.298 1.00 72.03 C ATOM 1324 CE LYS A 83 15.239 -2.783 4.633 1.00 50.22 C ATOM 1325 NZ LYS A 83 16.694 -2.927 4.455 1.00 51.35 N ATOM 0 H LYS A 83 9.934 -0.474 5.050 1.00 24.10 H new ATOM 0 HA LYS A 83 12.594 -0.599 3.814 1.00 52.52 H new ATOM 0 HB2 LYS A 83 11.546 -2.438 5.976 1.00 2.23 H new ATOM 0 HB3 LYS A 83 12.635 -3.038 4.741 1.00 2.23 H new ATOM 0 HG2 LYS A 83 13.264 -0.661 6.523 1.00 50.42 H new ATOM 0 HG3 LYS A 83 13.712 -2.309 6.917 1.00 50.42 H new ATOM 0 HD2 LYS A 83 14.712 -0.687 4.538 1.00 72.03 H new ATOM 0 HD3 LYS A 83 15.631 -1.124 5.965 1.00 72.03 H new ATOM 0 HE2 LYS A 83 14.870 -3.612 5.237 1.00 50.22 H new ATOM 0 HE3 LYS A 83 14.752 -2.856 3.661 1.00 50.22 H new ATOM 0 HZ1 LYS A 83 16.890 -3.347 3.524 1.00 51.35 H new ATOM 0 HZ2 LYS A 83 17.145 -1.992 4.515 1.00 51.35 H new ATOM 0 HZ3 LYS A 83 17.076 -3.544 5.200 1.00 51.35 H new ATOM 1339 N LEU A 84 11.445 -2.019 2.069 1.00 21.34 N ATOM 1340 CA LEU A 84 10.722 -2.555 0.919 1.00 25.12 C ATOM 1341 C LEU A 84 11.707 -3.472 0.222 1.00 43.23 C ATOM 1342 O LEU A 84 12.857 -3.070 0.055 1.00 23.10 O ATOM 1343 CB LEU A 84 10.271 -1.402 -0.004 1.00 2.20 C ATOM 1344 CG LEU A 84 9.057 -1.719 -0.902 1.00 74.11 C ATOM 1345 CD1 LEU A 84 8.557 -0.428 -1.556 1.00 41.55 C ATOM 1346 CD2 LEU A 84 9.351 -2.734 -2.006 1.00 74.41 C ATOM 0 H LEU A 84 12.412 -1.778 1.852 1.00 21.34 H new ATOM 0 HA LEU A 84 9.819 -3.094 1.205 1.00 25.12 H new ATOM 0 HB2 LEU A 84 10.031 -0.536 0.613 1.00 2.20 H new ATOM 0 HB3 LEU A 84 11.109 -1.117 -0.640 1.00 2.20 H new ATOM 0 HG LEU A 84 8.305 -2.162 -0.248 1.00 74.11 H new ATOM 0 HD11 LEU A 84 7.699 -0.650 -2.191 1.00 41.55 H new ATOM 0 HD12 LEU A 84 8.262 0.281 -0.783 1.00 41.55 H new ATOM 0 HD13 LEU A 84 9.353 0.006 -2.161 1.00 41.55 H new ATOM 0 HD21 LEU A 84 8.449 -2.904 -2.594 1.00 74.41 H new ATOM 0 HD22 LEU A 84 10.139 -2.349 -2.654 1.00 74.41 H new ATOM 0 HD23 LEU A 84 9.675 -3.674 -1.559 1.00 74.41 H new ATOM 1358 N THR A 85 11.291 -4.679 -0.135 1.00 4.50 N ATOM 1359 CA THR A 85 12.149 -5.640 -0.813 1.00 22.31 C ATOM 1360 C THR A 85 11.378 -6.332 -1.940 1.00 33.30 C ATOM 1361 O THR A 85 10.214 -6.024 -2.209 1.00 30.21 O ATOM 1362 CB THR A 85 12.772 -6.628 0.198 1.00 1.24 C ATOM 1363 OG1 THR A 85 11.894 -7.699 0.496 1.00 61.05 O ATOM 1364 CG2 THR A 85 13.209 -5.961 1.514 1.00 71.02 C ATOM 0 H THR A 85 10.346 -5.020 0.038 1.00 4.50 H new ATOM 0 HA THR A 85 12.985 -5.117 -1.278 1.00 22.31 H new ATOM 0 HB THR A 85 13.664 -7.011 -0.298 1.00 1.24 H new ATOM 0 HG1 THR A 85 12.322 -8.304 1.137 1.00 61.05 H new ATOM 0 HG21 THR A 85 13.638 -6.712 2.178 1.00 71.02 H new ATOM 0 HG22 THR A 85 13.955 -5.195 1.303 1.00 71.02 H new ATOM 0 HG23 THR A 85 12.344 -5.503 1.994 1.00 71.02 H new ATOM 1372 N SER A 86 12.011 -7.311 -2.580 1.00 24.12 N ATOM 1373 CA SER A 86 11.455 -8.152 -3.627 1.00 34.24 C ATOM 1374 C SER A 86 10.166 -8.882 -3.242 1.00 21.21 C ATOM 1375 O SER A 86 9.449 -9.327 -4.142 1.00 42.51 O ATOM 1376 CB SER A 86 12.564 -9.140 -4.030 1.00 41.41 C ATOM 1377 OG SER A 86 13.085 -9.748 -2.850 1.00 3.51 O ATOM 0 H SER A 86 12.980 -7.549 -2.367 1.00 24.12 H new ATOM 0 HA SER A 86 11.149 -7.518 -4.460 1.00 34.24 H new ATOM 0 HB2 SER A 86 12.167 -9.900 -4.703 1.00 41.41 H new ATOM 0 HB3 SER A 86 13.356 -8.620 -4.569 1.00 41.41 H new ATOM 0 HG SER A 86 13.909 -10.232 -3.068 1.00 3.51 H new ATOM 1383 N LYS A 87 9.846 -9.004 -1.949 1.00 65.42 N ATOM 1384 CA LYS A 87 8.606 -9.606 -1.455 1.00 45.54 C ATOM 1385 C LYS A 87 7.983 -8.780 -0.343 1.00 3.13 C ATOM 1386 O LYS A 87 6.786 -8.897 -0.126 1.00 53.51 O ATOM 1387 CB LYS A 87 8.883 -11.009 -0.896 1.00 71.45 C ATOM 1388 CG LYS A 87 9.448 -11.997 -1.934 1.00 74.12 C ATOM 1389 CD LYS A 87 10.474 -12.960 -1.336 1.00 12.41 C ATOM 1390 CE LYS A 87 11.696 -12.188 -0.810 1.00 24.30 C ATOM 1391 NZ LYS A 87 12.896 -13.040 -0.797 1.00 45.34 N ATOM 0 H LYS A 87 10.458 -8.679 -1.200 1.00 65.42 H new ATOM 0 HA LYS A 87 7.919 -9.652 -2.300 1.00 45.54 H new ATOM 0 HB2 LYS A 87 9.587 -10.926 -0.068 1.00 71.45 H new ATOM 0 HB3 LYS A 87 7.957 -11.416 -0.489 1.00 71.45 H new ATOM 0 HG2 LYS A 87 8.628 -12.570 -2.368 1.00 74.12 H new ATOM 0 HG3 LYS A 87 9.911 -11.438 -2.747 1.00 74.12 H new ATOM 0 HD2 LYS A 87 10.019 -13.528 -0.525 1.00 12.41 H new ATOM 0 HD3 LYS A 87 10.789 -13.680 -2.091 1.00 12.41 H new ATOM 0 HE2 LYS A 87 11.874 -11.313 -1.435 1.00 24.30 H new ATOM 0 HE3 LYS A 87 11.494 -11.824 0.197 1.00 24.30 H new ATOM 0 HZ1 LYS A 87 13.650 -12.570 -0.256 1.00 45.34 H new ATOM 0 HZ2 LYS A 87 12.669 -13.953 -0.354 1.00 45.34 H new ATOM 0 HZ3 LYS A 87 13.219 -13.200 -1.773 1.00 45.34 H new ATOM 1405 N GLU A 88 8.761 -7.993 0.393 1.00 74.05 N ATOM 1406 CA GLU A 88 8.403 -7.574 1.736 1.00 51.51 C ATOM 1407 C GLU A 88 8.101 -6.076 1.718 1.00 51.52 C ATOM 1408 O GLU A 88 8.809 -5.304 1.064 1.00 52.34 O ATOM 1409 CB GLU A 88 9.622 -7.905 2.606 1.00 44.42 C ATOM 1410 CG GLU A 88 9.406 -7.904 4.111 1.00 53.55 C ATOM 1411 CD GLU A 88 8.566 -9.071 4.624 1.00 41.23 C ATOM 1412 OE1 GLU A 88 8.970 -10.233 4.386 1.00 31.03 O ATOM 1413 OE2 GLU A 88 7.562 -8.827 5.331 1.00 34.02 O ATOM 0 H GLU A 88 9.658 -7.629 0.071 1.00 74.05 H new ATOM 0 HA GLU A 88 7.516 -8.074 2.125 1.00 51.51 H new ATOM 0 HB2 GLU A 88 9.990 -8.889 2.316 1.00 44.42 H new ATOM 0 HB3 GLU A 88 10.410 -7.188 2.375 1.00 44.42 H new ATOM 0 HG2 GLU A 88 10.377 -7.925 4.606 1.00 53.55 H new ATOM 0 HG3 GLU A 88 8.922 -6.970 4.397 1.00 53.55 H new ATOM 1420 N MET A 89 7.076 -5.634 2.446 1.00 1.34 N ATOM 1421 CA MET A 89 6.790 -4.220 2.670 1.00 45.14 C ATOM 1422 C MET A 89 6.784 -3.962 4.171 1.00 64.24 C ATOM 1423 O MET A 89 6.486 -4.853 4.967 1.00 10.22 O ATOM 1424 CB MET A 89 5.440 -3.842 2.028 1.00 30.24 C ATOM 1425 CG MET A 89 4.980 -2.399 2.261 1.00 41.21 C ATOM 1426 SD MET A 89 3.283 -2.049 1.747 1.00 71.14 S ATOM 1427 CE MET A 89 3.486 -1.854 -0.038 1.00 30.02 C ATOM 0 H MET A 89 6.412 -6.259 2.903 1.00 1.34 H new ATOM 0 HA MET A 89 7.556 -3.599 2.204 1.00 45.14 H new ATOM 0 HB2 MET A 89 5.507 -4.015 0.954 1.00 30.24 H new ATOM 0 HB3 MET A 89 4.674 -4.516 2.412 1.00 30.24 H new ATOM 0 HG2 MET A 89 5.078 -2.169 3.322 1.00 41.21 H new ATOM 0 HG3 MET A 89 5.652 -1.728 1.726 1.00 41.21 H new ATOM 0 HE1 MET A 89 2.905 -0.997 -0.379 1.00 30.02 H new ATOM 0 HE2 MET A 89 4.539 -1.694 -0.269 1.00 30.02 H new ATOM 0 HE3 MET A 89 3.136 -2.754 -0.544 1.00 30.02 H new ATOM 1437 N LYS A 90 7.093 -2.721 4.539 1.00 1.20 N ATOM 1438 CA LYS A 90 6.870 -2.161 5.856 1.00 44.43 C ATOM 1439 C LYS A 90 6.391 -0.745 5.698 1.00 22.14 C ATOM 1440 O LYS A 90 7.198 0.183 5.569 1.00 25.11 O ATOM 1441 CB LYS A 90 8.128 -2.218 6.725 1.00 52.54 C ATOM 1442 CG LYS A 90 8.559 -3.639 7.059 1.00 54.14 C ATOM 1443 CD LYS A 90 9.629 -3.657 8.160 1.00 13.43 C ATOM 1444 CE LYS A 90 9.137 -4.455 9.367 1.00 14.30 C ATOM 1445 NZ LYS A 90 7.972 -3.838 10.037 1.00 13.23 N ATOM 0 H LYS A 90 7.523 -2.056 3.896 1.00 1.20 H new ATOM 0 HA LYS A 90 6.115 -2.756 6.369 1.00 44.43 H new ATOM 0 HB2 LYS A 90 8.942 -1.710 6.209 1.00 52.54 H new ATOM 0 HB3 LYS A 90 7.948 -1.672 7.651 1.00 52.54 H new ATOM 0 HG2 LYS A 90 7.693 -4.217 7.382 1.00 54.14 H new ATOM 0 HG3 LYS A 90 8.949 -4.122 6.163 1.00 54.14 H new ATOM 0 HD2 LYS A 90 10.549 -4.097 7.775 1.00 13.43 H new ATOM 0 HD3 LYS A 90 9.866 -2.637 8.462 1.00 13.43 H new ATOM 0 HE2 LYS A 90 8.872 -5.462 9.045 1.00 14.30 H new ATOM 0 HE3 LYS A 90 9.951 -4.554 10.085 1.00 14.30 H new ATOM 0 HZ1 LYS A 90 7.822 -4.292 10.961 1.00 13.23 H new ATOM 0 HZ2 LYS A 90 8.149 -2.822 10.175 1.00 13.23 H new ATOM 0 HZ3 LYS A 90 7.125 -3.965 9.447 1.00 13.23 H new ATOM 1459 N TRP A 91 5.071 -0.597 5.649 1.00 4.52 N ATOM 1460 CA TRP A 91 4.455 0.687 5.904 1.00 5.24 C ATOM 1461 C TRP A 91 4.509 0.887 7.423 1.00 52.44 C ATOM 1462 O TRP A 91 4.516 -0.072 8.203 1.00 53.33 O ATOM 1463 CB TRP A 91 3.028 0.700 5.329 1.00 53.45 C ATOM 1464 CG TRP A 91 2.875 0.986 3.847 1.00 70.12 C ATOM 1465 CD1 TRP A 91 1.708 1.332 3.242 1.00 3.50 C ATOM 1466 CD2 TRP A 91 3.881 1.041 2.771 1.00 44.32 C ATOM 1467 NE1 TRP A 91 1.914 1.545 1.901 1.00 41.54 N ATOM 1468 CE2 TRP A 91 3.230 1.427 1.559 1.00 12.32 C ATOM 1469 CE3 TRP A 91 5.268 0.786 2.653 1.00 73.35 C ATOM 1470 CZ2 TRP A 91 3.893 1.610 0.339 1.00 14.13 C ATOM 1471 CZ3 TRP A 91 5.948 1.009 1.438 1.00 33.44 C ATOM 1472 CH2 TRP A 91 5.276 1.445 0.296 1.00 42.35 C ATOM 0 H TRP A 91 4.416 -1.349 5.436 1.00 4.52 H new ATOM 0 HA TRP A 91 4.971 1.514 5.417 1.00 5.24 H new ATOM 0 HB2 TRP A 91 2.574 -0.269 5.534 1.00 53.45 H new ATOM 0 HB3 TRP A 91 2.451 1.445 5.877 1.00 53.45 H new ATOM 0 HD1 TRP A 91 0.756 1.426 3.744 1.00 3.50 H new ATOM 0 HE1 TRP A 91 1.171 1.766 1.238 1.00 41.54 H new ATOM 0 HE3 TRP A 91 5.814 0.415 3.507 1.00 73.35 H new ATOM 0 HZ2 TRP A 91 3.343 1.874 -0.552 1.00 14.13 H new ATOM 0 HZ3 TRP A 91 7.013 0.838 1.391 1.00 33.44 H new ATOM 0 HH2 TRP A 91 5.822 1.653 -0.612 1.00 42.35 H new ATOM 1483 N GLU A 92 4.567 2.141 7.843 1.00 32.10 N ATOM 1484 CA GLU A 92 4.545 2.559 9.230 1.00 11.50 C ATOM 1485 C GLU A 92 3.473 3.625 9.318 1.00 30.10 C ATOM 1486 O GLU A 92 3.389 4.462 8.420 1.00 13.40 O ATOM 1487 CB GLU A 92 5.942 3.052 9.621 1.00 3.11 C ATOM 1488 CG GLU A 92 6.055 3.570 11.055 1.00 30.43 C ATOM 1489 CD GLU A 92 7.464 4.060 11.407 1.00 42.14 C ATOM 1490 OE1 GLU A 92 7.917 5.079 10.836 1.00 52.51 O ATOM 1491 OE2 GLU A 92 8.090 3.496 12.333 1.00 74.04 O ATOM 0 H GLU A 92 4.634 2.927 7.196 1.00 32.10 H new ATOM 0 HA GLU A 92 4.307 1.758 9.930 1.00 11.50 H new ATOM 0 HB2 GLU A 92 6.652 2.236 9.486 1.00 3.11 H new ATOM 0 HB3 GLU A 92 6.237 3.848 8.937 1.00 3.11 H new ATOM 0 HG2 GLU A 92 5.347 4.386 11.197 1.00 30.43 H new ATOM 0 HG3 GLU A 92 5.770 2.776 11.745 1.00 30.43 H new ATOM 1498 N ASN A 93 2.653 3.561 10.370 1.00 64.34 N ATOM 1499 CA ASN A 93 1.450 4.327 10.530 1.00 13.51 C ATOM 1500 C ASN A 93 1.653 5.796 10.177 1.00 45.22 C ATOM 1501 O ASN A 93 0.955 6.269 9.280 1.00 13.42 O ATOM 1502 CB ASN A 93 0.925 4.089 11.958 1.00 23.04 C ATOM 1503 CG ASN A 93 -0.022 5.194 12.357 1.00 31.40 C ATOM 1504 OD1 ASN A 93 0.401 6.198 12.902 1.00 63.04 O ATOM 1505 ND2 ASN A 93 -1.294 5.091 12.029 1.00 34.24 N ATOM 0 H ASN A 93 2.832 2.941 11.160 1.00 64.34 H new ATOM 0 HA ASN A 93 0.689 3.994 9.824 1.00 13.51 H new ATOM 0 HB2 ASN A 93 0.415 3.127 12.010 1.00 23.04 H new ATOM 0 HB3 ASN A 93 1.760 4.046 12.658 1.00 23.04 H new ATOM 0 HD21 ASN A 93 -1.936 5.857 12.231 1.00 34.24 H new ATOM 0 HD22 ASN A 93 -1.636 4.245 11.573 1.00 34.24 H new ATOM 1512 N ALA A 94 2.589 6.491 10.817 1.00 45.35 N ATOM 1513 CA ALA A 94 2.869 7.925 10.692 1.00 65.14 C ATOM 1514 C ALA A 94 1.699 8.822 11.129 1.00 63.04 C ATOM 1515 O ALA A 94 1.896 9.715 11.947 1.00 62.41 O ATOM 1516 CB ALA A 94 3.359 8.254 9.276 1.00 43.55 C ATOM 0 H ALA A 94 3.217 6.040 11.483 1.00 45.35 H new ATOM 0 HA ALA A 94 3.671 8.153 11.394 1.00 65.14 H new ATOM 0 HB1 ALA A 94 3.562 9.322 9.200 1.00 43.55 H new ATOM 0 HB2 ALA A 94 4.272 7.695 9.068 1.00 43.55 H new ATOM 0 HB3 ALA A 94 2.592 7.978 8.552 1.00 43.55 H new ATOM 1522 N SER A 95 0.496 8.581 10.625 1.00 32.32 N ATOM 1523 CA SER A 95 -0.730 9.313 10.869 1.00 4.43 C ATOM 1524 C SER A 95 -1.607 8.478 11.831 1.00 3.53 C ATOM 1525 O SER A 95 -2.473 7.724 11.374 1.00 73.05 O ATOM 1526 CB SER A 95 -1.394 9.577 9.505 1.00 30.32 C ATOM 1527 OG SER A 95 -1.559 10.945 9.178 1.00 24.34 O ATOM 0 H SER A 95 0.345 7.803 9.983 1.00 32.32 H new ATOM 0 HA SER A 95 -0.562 10.278 11.347 1.00 4.43 H new ATOM 0 HB2 SER A 95 -0.795 9.102 8.728 1.00 30.32 H new ATOM 0 HB3 SER A 95 -2.372 9.095 9.494 1.00 30.32 H new ATOM 0 HG SER A 95 -2.294 11.042 8.537 1.00 24.34 H new ATOM 1533 N PRO A 96 -1.428 8.569 13.163 1.00 44.45 N ATOM 1534 CA PRO A 96 -2.151 7.793 14.184 1.00 1.54 C ATOM 1535 C PRO A 96 -3.608 8.238 14.377 1.00 24.04 C ATOM 1536 O PRO A 96 -4.297 7.768 15.288 1.00 25.05 O ATOM 1537 CB PRO A 96 -1.335 7.940 15.470 1.00 44.52 C ATOM 1538 CG PRO A 96 -0.733 9.327 15.324 1.00 31.22 C ATOM 1539 CD PRO A 96 -0.423 9.384 13.832 1.00 34.42 C ATOM 0 HA PRO A 96 -2.237 6.752 13.873 1.00 1.54 H new ATOM 0 HB2 PRO A 96 -1.961 7.861 16.359 1.00 44.52 H new ATOM 0 HB3 PRO A 96 -0.567 7.171 15.553 1.00 44.52 H new ATOM 0 HG2 PRO A 96 -1.431 10.108 15.626 1.00 31.22 H new ATOM 0 HG3 PRO A 96 0.164 9.448 15.932 1.00 31.22 H new ATOM 0 HD2 PRO A 96 -0.454 10.411 13.469 1.00 34.42 H new ATOM 0 HD3 PRO A 96 0.579 9.005 13.630 1.00 34.42 H new ATOM 1547 N LYS A 97 -4.012 9.287 13.665 1.00 54.14 N ATOM 1548 CA LYS A 97 -5.204 10.103 13.895 1.00 62.11 C ATOM 1549 C LYS A 97 -6.049 10.284 12.639 1.00 73.33 C ATOM 1550 O LYS A 97 -7.108 10.910 12.666 1.00 22.32 O ATOM 1551 CB LYS A 97 -4.688 11.444 14.417 1.00 52.21 C ATOM 1552 CG LYS A 97 -4.078 12.350 13.325 1.00 30.25 C ATOM 1553 CD LYS A 97 -3.375 13.594 13.888 1.00 51.34 C ATOM 1554 CE LYS A 97 -1.946 13.330 14.382 1.00 74.03 C ATOM 1555 NZ LYS A 97 -0.931 13.394 13.304 1.00 50.14 N ATOM 0 H LYS A 97 -3.480 9.612 12.858 1.00 54.14 H new ATOM 0 HA LYS A 97 -5.870 9.615 14.607 1.00 62.11 H new ATOM 0 HB2 LYS A 97 -5.509 11.975 14.899 1.00 52.21 H new ATOM 0 HB3 LYS A 97 -3.935 11.259 15.183 1.00 52.21 H new ATOM 0 HG2 LYS A 97 -3.363 11.771 12.740 1.00 30.25 H new ATOM 0 HG3 LYS A 97 -4.867 12.665 12.642 1.00 30.25 H new ATOM 0 HD2 LYS A 97 -3.346 14.363 13.116 1.00 51.34 H new ATOM 0 HD3 LYS A 97 -3.966 13.992 14.713 1.00 51.34 H new ATOM 0 HE2 LYS A 97 -1.695 14.060 15.152 1.00 74.03 H new ATOM 0 HE3 LYS A 97 -1.907 12.346 14.850 1.00 74.03 H new ATOM 0 HZ1 LYS A 97 0.011 13.207 13.703 1.00 50.14 H new ATOM 0 HZ2 LYS A 97 -1.148 12.680 12.580 1.00 50.14 H new ATOM 0 HZ3 LYS A 97 -0.943 14.340 12.872 1.00 50.14 H new ATOM 1569 N ASP A 98 -5.509 9.792 11.536 1.00 65.02 N ATOM 1570 CA ASP A 98 -5.964 9.968 10.169 1.00 63.24 C ATOM 1571 C ASP A 98 -6.524 8.632 9.692 1.00 33.31 C ATOM 1572 O ASP A 98 -7.426 8.597 8.861 1.00 70.10 O ATOM 1573 CB ASP A 98 -4.720 10.326 9.349 1.00 10.32 C ATOM 1574 CG ASP A 98 -4.856 11.337 8.221 1.00 14.13 C ATOM 1575 OD1 ASP A 98 -5.799 12.161 8.214 1.00 74.31 O ATOM 1576 OD2 ASP A 98 -3.854 11.409 7.468 1.00 32.05 O ATOM 0 H ASP A 98 -4.672 9.211 11.579 1.00 65.02 H new ATOM 0 HA ASP A 98 -6.729 10.739 10.074 1.00 63.24 H new ATOM 0 HB2 ASP A 98 -3.965 10.701 10.040 1.00 10.32 H new ATOM 0 HB3 ASP A 98 -4.329 9.403 8.921 1.00 10.32 H new ATOM 1581 N GLY A 99 -6.004 7.534 10.258 1.00 70.43 N ATOM 1582 CA GLY A 99 -6.282 6.174 9.835 1.00 30.41 C ATOM 1583 C GLY A 99 -5.111 5.675 9.005 1.00 43.13 C ATOM 1584 O GLY A 99 -5.126 5.813 7.787 1.00 10.24 O ATOM 0 H GLY A 99 -5.359 7.580 11.047 1.00 70.43 H new ATOM 0 HA2 GLY A 99 -6.432 5.531 10.702 1.00 30.41 H new ATOM 0 HA3 GLY A 99 -7.201 6.140 9.251 1.00 30.41 H new ATOM 1588 N ASN A 100 -4.070 5.118 9.622 1.00 71.03 N ATOM 1589 CA ASN A 100 -3.029 4.318 8.958 1.00 52.12 C ATOM 1590 C ASN A 100 -2.743 3.125 9.877 1.00 12.10 C ATOM 1591 O ASN A 100 -3.172 3.142 11.030 1.00 41.10 O ATOM 1592 CB ASN A 100 -1.743 5.123 8.723 1.00 72.21 C ATOM 1593 CG ASN A 100 -1.909 6.061 7.556 1.00 61.34 C ATOM 1594 OD1 ASN A 100 -2.522 7.203 7.816 1.00 53.24 O flip ATOM 1595 ND2 ASN A 100 -1.598 5.732 6.421 1.00 44.32 N flip ATOM 0 H ASN A 100 -3.919 5.211 10.626 1.00 71.03 H new ATOM 0 HA ASN A 100 -3.376 4.001 7.975 1.00 52.12 H new ATOM 0 HB2 ASN A 100 -1.494 5.690 9.620 1.00 72.21 H new ATOM 0 HB3 ASN A 100 -0.912 4.444 8.535 1.00 72.21 H new ATOM 0 HD21 ASN A 100 -1.126 4.843 6.259 1.00 44.32 H new ATOM 0 HD22 ASN A 100 -1.811 6.347 5.635 1.00 44.32 H new ATOM 1602 N SER A 101 -1.930 2.156 9.464 1.00 5.34 N ATOM 1603 CA SER A 101 -1.564 0.977 10.256 1.00 21.03 C ATOM 1604 C SER A 101 -0.103 0.601 9.979 1.00 51.32 C ATOM 1605 O SER A 101 0.508 1.147 9.063 1.00 61.03 O ATOM 1606 CB SER A 101 -2.495 -0.190 9.908 1.00 73.44 C ATOM 1607 OG SER A 101 -3.856 0.188 9.952 1.00 10.41 O ATOM 0 H SER A 101 -1.493 2.167 8.542 1.00 5.34 H new ATOM 0 HA SER A 101 -1.671 1.204 11.317 1.00 21.03 H new ATOM 0 HB2 SER A 101 -2.254 -0.562 8.912 1.00 73.44 H new ATOM 0 HB3 SER A 101 -2.324 -1.011 10.605 1.00 73.44 H new ATOM 0 HG SER A 101 -4.417 -0.582 9.723 1.00 10.41 H new ATOM 1613 N ASP A 102 0.448 -0.353 10.728 1.00 4.10 N ATOM 1614 CA ASP A 102 1.882 -0.675 10.763 1.00 65.21 C ATOM 1615 C ASP A 102 2.177 -2.041 10.121 1.00 70.12 C ATOM 1616 O ASP A 102 3.149 -2.721 10.466 1.00 52.54 O ATOM 1617 CB ASP A 102 2.368 -0.625 12.220 1.00 52.42 C ATOM 1618 CG ASP A 102 2.645 0.791 12.701 1.00 54.41 C ATOM 1619 OD1 ASP A 102 3.496 1.469 12.087 1.00 4.30 O ATOM 1620 OD2 ASP A 102 2.116 1.184 13.762 1.00 14.42 O ATOM 0 H ASP A 102 -0.105 -0.944 11.348 1.00 4.10 H new ATOM 0 HA ASP A 102 2.425 0.064 10.174 1.00 65.21 H new ATOM 0 HB2 ASP A 102 1.617 -1.082 12.864 1.00 52.42 H new ATOM 0 HB3 ASP A 102 3.276 -1.220 12.316 1.00 52.42 H new ATOM 1625 N LYS A 103 1.301 -2.488 9.219 1.00 73.22 N ATOM 1626 CA LYS A 103 1.315 -3.848 8.672 1.00 65.33 C ATOM 1627 C LYS A 103 2.469 -4.075 7.694 1.00 72.24 C ATOM 1628 O LYS A 103 3.209 -3.147 7.351 1.00 44.13 O ATOM 1629 CB LYS A 103 -0.044 -4.221 8.051 1.00 24.03 C ATOM 1630 CG LYS A 103 -0.392 -3.494 6.748 1.00 13.20 C ATOM 1631 CD LYS A 103 -1.233 -2.221 6.943 1.00 13.23 C ATOM 1632 CE LYS A 103 -1.885 -1.805 5.618 1.00 51.45 C ATOM 1633 NZ LYS A 103 -2.939 -0.776 5.775 1.00 2.10 N ATOM 0 H LYS A 103 0.551 -1.908 8.842 1.00 73.22 H new ATOM 0 HA LYS A 103 1.488 -4.522 9.511 1.00 65.33 H new ATOM 0 HB2 LYS A 103 -0.056 -5.295 7.863 1.00 24.03 H new ATOM 0 HB3 LYS A 103 -0.827 -4.017 8.782 1.00 24.03 H new ATOM 0 HG2 LYS A 103 0.532 -3.230 6.234 1.00 13.20 H new ATOM 0 HG3 LYS A 103 -0.935 -4.179 6.097 1.00 13.20 H new ATOM 0 HD2 LYS A 103 -2.002 -2.397 7.695 1.00 13.23 H new ATOM 0 HD3 LYS A 103 -0.602 -1.414 7.315 1.00 13.23 H new ATOM 0 HE2 LYS A 103 -1.115 -1.425 4.947 1.00 51.45 H new ATOM 0 HE3 LYS A 103 -2.316 -2.686 5.142 1.00 51.45 H new ATOM 0 HZ1 LYS A 103 -3.761 -1.029 5.191 1.00 2.10 H new ATOM 0 HZ2 LYS A 103 -3.226 -0.723 6.773 1.00 2.10 H new ATOM 0 HZ3 LYS A 103 -2.570 0.148 5.471 1.00 2.10 H new ATOM 1647 N ARG A 104 2.595 -5.304 7.188 1.00 41.44 N ATOM 1648 CA ARG A 104 3.655 -5.689 6.270 1.00 1.21 C ATOM 1649 C ARG A 104 3.096 -6.533 5.132 1.00 10.21 C ATOM 1650 O ARG A 104 3.036 -7.754 5.218 1.00 22.43 O ATOM 1651 CB ARG A 104 4.804 -6.391 7.013 1.00 25.22 C ATOM 1652 CG ARG A 104 4.373 -7.280 8.187 1.00 61.22 C ATOM 1653 CD ARG A 104 5.477 -8.262 8.601 1.00 63.04 C ATOM 1654 NE ARG A 104 5.606 -9.375 7.644 1.00 2.20 N ATOM 1655 CZ ARG A 104 4.775 -10.422 7.577 1.00 54.52 C ATOM 1656 NH1 ARG A 104 3.732 -10.527 8.393 1.00 61.05 N ATOM 1657 NH2 ARG A 104 4.980 -11.381 6.694 1.00 71.14 N ATOM 0 H ARG A 104 1.953 -6.065 7.411 1.00 41.44 H new ATOM 0 HA ARG A 104 4.077 -4.787 5.826 1.00 1.21 H new ATOM 0 HB2 ARG A 104 5.358 -7.001 6.300 1.00 25.22 H new ATOM 0 HB3 ARG A 104 5.492 -5.632 7.386 1.00 25.22 H new ATOM 0 HG2 ARG A 104 4.108 -6.653 9.038 1.00 61.22 H new ATOM 0 HG3 ARG A 104 3.478 -7.837 7.910 1.00 61.22 H new ATOM 0 HD2 ARG A 104 6.427 -7.732 8.672 1.00 63.04 H new ATOM 0 HD3 ARG A 104 5.258 -8.659 9.592 1.00 63.04 H new ATOM 0 HE ARG A 104 6.384 -9.345 6.985 1.00 2.20 H new ATOM 0 HH11 ARG A 104 3.552 -9.801 9.087 1.00 61.05 H new ATOM 0 HH12 ARG A 104 3.111 -11.333 8.325 1.00 61.05 H new ATOM 0 HH21 ARG A 104 5.775 -11.327 6.058 1.00 71.14 H new ATOM 0 HH22 ARG A 104 4.343 -12.176 6.648 1.00 71.14 H new ATOM 1671 N LEU A 105 2.686 -5.855 4.058 1.00 54.34 N ATOM 1672 CA LEU A 105 2.164 -6.488 2.851 1.00 10.30 C ATOM 1673 C LEU A 105 3.292 -7.356 2.306 1.00 72.41 C ATOM 1674 O LEU A 105 4.397 -6.856 2.087 1.00 52.12 O ATOM 1675 CB LEU A 105 1.687 -5.458 1.807 1.00 11.51 C ATOM 1676 CG LEU A 105 0.418 -4.646 2.164 1.00 41.51 C ATOM 1677 CD1 LEU A 105 0.556 -3.838 3.452 1.00 14.51 C ATOM 1678 CD2 LEU A 105 0.018 -3.702 1.023 1.00 34.02 C ATOM 0 H LEU A 105 2.709 -4.837 4.004 1.00 54.34 H new ATOM 0 HA LEU A 105 1.281 -7.084 3.083 1.00 10.30 H new ATOM 0 HB2 LEU A 105 2.501 -4.756 1.625 1.00 11.51 H new ATOM 0 HB3 LEU A 105 1.503 -5.983 0.870 1.00 11.51 H new ATOM 0 HG LEU A 105 -0.362 -5.391 2.321 1.00 41.51 H new ATOM 0 HD11 LEU A 105 -0.369 -3.294 3.641 1.00 14.51 H new ATOM 0 HD12 LEU A 105 0.757 -4.512 4.285 1.00 14.51 H new ATOM 0 HD13 LEU A 105 1.379 -3.130 3.351 1.00 14.51 H new ATOM 0 HD21 LEU A 105 -0.876 -3.147 1.306 1.00 34.02 H new ATOM 0 HD22 LEU A 105 0.831 -3.003 0.827 1.00 34.02 H new ATOM 0 HD23 LEU A 105 -0.186 -4.284 0.124 1.00 34.02 H new ATOM 1690 N GLU A 106 3.042 -8.640 2.070 1.00 23.13 N ATOM 1691 CA GLU A 106 4.083 -9.550 1.596 1.00 5.53 C ATOM 1692 C GLU A 106 3.725 -9.983 0.187 1.00 11.21 C ATOM 1693 O GLU A 106 3.216 -11.082 -0.051 1.00 51.41 O ATOM 1694 CB GLU A 106 4.351 -10.723 2.544 1.00 70.33 C ATOM 1695 CG GLU A 106 5.790 -11.215 2.326 1.00 61.01 C ATOM 1696 CD GLU A 106 5.956 -12.678 2.715 1.00 43.34 C ATOM 1697 OE1 GLU A 106 5.707 -13.543 1.844 1.00 2.51 O ATOM 1698 OE2 GLU A 106 6.392 -12.970 3.850 1.00 43.35 O ATOM 0 H GLU A 106 2.129 -9.075 2.199 1.00 23.13 H new ATOM 0 HA GLU A 106 5.036 -9.022 1.578 1.00 5.53 H new ATOM 0 HB2 GLU A 106 4.211 -10.412 3.579 1.00 70.33 H new ATOM 0 HB3 GLU A 106 3.643 -11.530 2.356 1.00 70.33 H new ATOM 0 HG2 GLU A 106 6.063 -11.085 1.279 1.00 61.01 H new ATOM 0 HG3 GLU A 106 6.475 -10.603 2.913 1.00 61.01 H new ATOM 1705 N LYS A 107 3.990 -9.072 -0.749 1.00 12.10 N ATOM 1706 CA LYS A 107 3.688 -9.228 -2.159 1.00 64.15 C ATOM 1707 C LYS A 107 2.230 -9.629 -2.362 1.00 73.34 C ATOM 1708 O LYS A 107 1.395 -9.341 -1.515 1.00 25.40 O ATOM 1709 CB LYS A 107 4.729 -10.170 -2.789 1.00 4.23 C ATOM 1710 CG LYS A 107 5.172 -9.652 -4.169 1.00 45.14 C ATOM 1711 CD LYS A 107 6.092 -8.413 -4.102 1.00 61.32 C ATOM 1712 CE LYS A 107 5.746 -7.338 -5.147 1.00 32.41 C ATOM 1713 NZ LYS A 107 6.578 -7.454 -6.367 1.00 23.20 N ATOM 0 H LYS A 107 4.435 -8.180 -0.533 1.00 12.10 H new ATOM 0 HA LYS A 107 3.776 -8.280 -2.690 1.00 64.15 H new ATOM 0 HB2 LYS A 107 5.595 -10.254 -2.132 1.00 4.23 H new ATOM 0 HB3 LYS A 107 4.307 -11.170 -2.889 1.00 4.23 H new ATOM 0 HG2 LYS A 107 5.692 -10.451 -4.697 1.00 45.14 H new ATOM 0 HG3 LYS A 107 4.287 -9.405 -4.756 1.00 45.14 H new ATOM 0 HD2 LYS A 107 6.027 -7.975 -3.106 1.00 61.32 H new ATOM 0 HD3 LYS A 107 7.125 -8.729 -4.245 1.00 61.32 H new ATOM 0 HE2 LYS A 107 4.694 -7.423 -5.418 1.00 32.41 H new ATOM 0 HE3 LYS A 107 5.884 -6.350 -4.708 1.00 32.41 H new ATOM 0 HZ1 LYS A 107 6.118 -6.947 -7.150 1.00 23.20 H new ATOM 0 HZ2 LYS A 107 7.515 -7.039 -6.189 1.00 23.20 H new ATOM 0 HZ3 LYS A 107 6.686 -8.457 -6.620 1.00 23.20 H new ATOM 1727 N TYR A 108 1.866 -10.110 -3.540 1.00 74.34 N ATOM 1728 CA TYR A 108 0.509 -10.506 -3.887 1.00 3.23 C ATOM 1729 C TYR A 108 0.371 -12.024 -3.821 1.00 25.22 C ATOM 1730 O TYR A 108 0.718 -12.712 -4.781 1.00 14.31 O ATOM 1731 CB TYR A 108 0.171 -9.940 -5.262 1.00 5.43 C ATOM 1732 CG TYR A 108 -1.286 -9.990 -5.643 1.00 54.14 C ATOM 1733 CD1 TYR A 108 -2.249 -9.390 -4.811 1.00 32.20 C ATOM 1734 CD2 TYR A 108 -1.671 -10.573 -6.863 1.00 14.31 C ATOM 1735 CE1 TYR A 108 -3.600 -9.395 -5.187 1.00 45.21 C ATOM 1736 CE2 TYR A 108 -3.016 -10.544 -7.259 1.00 24.22 C ATOM 1737 CZ TYR A 108 -3.986 -9.961 -6.420 1.00 24.34 C ATOM 1738 OH TYR A 108 -5.277 -9.905 -6.830 1.00 14.41 O ATOM 0 H TYR A 108 2.527 -10.240 -4.306 1.00 74.34 H new ATOM 0 HA TYR A 108 -0.206 -10.100 -3.172 1.00 3.23 H new ATOM 0 HB2 TYR A 108 0.503 -8.903 -5.301 1.00 5.43 H new ATOM 0 HB3 TYR A 108 0.744 -10.486 -6.011 1.00 5.43 H new ATOM 0 HD1 TYR A 108 -1.948 -8.926 -3.883 1.00 32.20 H new ATOM 0 HD2 TYR A 108 -0.932 -11.043 -7.495 1.00 14.31 H new ATOM 0 HE1 TYR A 108 -4.344 -8.966 -4.533 1.00 45.21 H new ATOM 0 HE2 TYR A 108 -3.308 -10.969 -8.208 1.00 24.22 H new ATOM 0 HH TYR A 108 -5.363 -10.343 -7.702 1.00 14.41 H new ATOM 1748 N ASN A 109 -0.102 -12.551 -2.688 1.00 43.21 N ATOM 1749 CA ASN A 109 -0.231 -13.998 -2.463 1.00 1.43 C ATOM 1750 C ASN A 109 -1.684 -14.483 -2.627 1.00 22.43 C ATOM 1751 O ASN A 109 -2.240 -15.159 -1.758 1.00 24.32 O ATOM 1752 CB ASN A 109 0.424 -14.408 -1.130 1.00 73.24 C ATOM 1753 CG ASN A 109 0.924 -15.856 -1.167 1.00 44.21 C ATOM 1754 OD1 ASN A 109 0.476 -16.676 -1.967 1.00 64.05 O ATOM 1755 ND2 ASN A 109 1.937 -16.175 -0.376 1.00 52.11 N ATOM 0 H ASN A 109 -0.408 -11.986 -1.896 1.00 43.21 H new ATOM 0 HA ASN A 109 0.324 -14.518 -3.244 1.00 1.43 H new ATOM 0 HB2 ASN A 109 1.258 -13.740 -0.914 1.00 73.24 H new ATOM 0 HB3 ASN A 109 -0.296 -14.292 -0.320 1.00 73.24 H new ATOM 0 HD21 ASN A 109 2.351 -17.106 -0.428 1.00 52.11 H new ATOM 0 HD22 ASN A 109 2.303 -15.490 0.285 1.00 52.11 H new ATOM 1762 N ASP A 110 -2.281 -14.118 -3.767 1.00 23.41 N ATOM 1763 CA ASP A 110 -3.611 -14.498 -4.278 1.00 1.41 C ATOM 1764 C ASP A 110 -4.779 -14.155 -3.357 1.00 72.43 C ATOM 1765 O ASP A 110 -5.560 -15.030 -2.931 1.00 12.45 O ATOM 1766 CB ASP A 110 -3.634 -15.956 -4.764 1.00 13.41 C ATOM 1767 CG ASP A 110 -4.832 -16.201 -5.681 1.00 63.44 C ATOM 1768 OD1 ASP A 110 -4.897 -15.568 -6.768 1.00 21.24 O ATOM 1769 OD2 ASP A 110 -5.644 -17.114 -5.427 1.00 65.20 O ATOM 0 H ASP A 110 -1.806 -13.492 -4.417 1.00 23.41 H new ATOM 0 HA ASP A 110 -3.778 -13.860 -5.146 1.00 1.41 H new ATOM 0 HB2 ASP A 110 -2.710 -16.182 -5.296 1.00 13.41 H new ATOM 0 HB3 ASP A 110 -3.681 -16.629 -3.908 1.00 13.41 H new TER 1774 ASP A 110