USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1241 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 99 SER OG : rot 90:sc= -0.101 USER MOD Set 1.2: A 102 ASN : amide:sc= -0.81 K(o=-2.7,f=-4.6) USER MOD Set 1.3: A 126 HIS : no HD1:sc= -1.82 K(o=-2.7,f=-12!) USER MOD Set 2.1: A 92 HIS : no HE2:sc= 0.604 K(o=1.8,f=-5.4!) USER MOD Set 2.2: A 115 CYS SG : rot 46:sc= 0.928 USER MOD Set 2.3: A 119 THR OG1 : rot -148:sc= 0.275 USER MOD Set 3.1: A 54 HIS : no HE2:sc= 0.226 K(o=-4.2,f=-8.1!) USER MOD Set 3.2: A 61 MET CE :methyl 167:sc= -3.11 (180deg=-3.7!) USER MOD Set 3.3: A 63 GLN : amide:sc= -0.575 K(o=-4.2,f=-10!) USER MOD Set 3.4: A 111 GLN : amide:sc= -0.737 K(o=-4.2,f=-8.7!) USER MOD Set 4.1: A 62 CYS SG : rot 165:sc= -2.35! USER MOD Set 4.2: A 142 MET CE :methyl 146:sc= -0.88 (180deg=-1.93!) USER MOD Set 5.1: A 5 THR OG1 : rot 120:sc= 0.868 USER MOD Set 5.2: A 133 LYS NZ :NH3+ 154:sc= 1.75 (180deg=0.58) USER MOD Single : A 3 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.46) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 0.269 (180deg=-0.39) USER MOD Single : A 31 LYS NZ :NH3+ 138:sc= -1.43 (180deg=-3.46!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.35! C(o=-2.4!,f=-8.1!) USER MOD Single : A 40 SER OG : rot 69:sc= 1.21 USER MOD Single : A 41 THR OG1 : rot -78:sc= -0.668 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 52:sc= -1.35 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0.931 (180deg=0.888) USER MOD Single : A 51 SER OG : rot -36:sc= -0.46 USER MOD Single : A 52 CYS SG : rot 180:sc= 0.0775 USER MOD Single : A 68 THR OG1 : rot 88:sc= 0.511 USER MOD Single : A 70 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.29) USER MOD Single : A 71 ASN : amide:sc= 0.00923 X(o=0.0092,f=0) USER MOD Single : A 73 THR OG1 : rot 110:sc= -0.0749 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -3:sc= 0.14 USER MOD Single : A 79 TYR OH : rot -174:sc= 0.641 USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0.233 (180deg=0.0956) USER MOD Single : A 87 ASN : amide:sc= -0.834 K(o=-0.83,f=-1.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -27:sc= 0.313 USER MOD Single : A 100 MET CE :methyl -177:sc= -0.0604 (180deg=-0.0838) USER MOD Single : A 106 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.57) USER MOD Single : A 107 THR OG1 : rot -46:sc= 0.693 USER MOD Single : A 108 ASN : amide:sc= -0.0818 K(o=-0.082,f=-1) USER MOD Single : A 110 SER OG : rot 30:sc= 0.179 USER MOD Single : A 116 THR OG1 : rot -144:sc= 0.923 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 147:sc= 0.134 (180deg=0) USER MOD Single : A 136 MET CE :methyl 167:sc= -0.708 (180deg=-0.942) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 80:sc= 0.16 USER MOD Single : A 149 ASN : amide:sc= -0.0233 K(o=-0.023,f=-6.9!) USER MOD Single : A 151 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0161) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 77:sc= 0.85 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 157 THR OG1 : rot 99:sc= 0.117 USER MOD Single : A 161 CYS SG : rot 180:sc= 0.0678 USER MOD Single : A 163 GLN : amide:sc= -2.35! K(o=-2.3!,f=-1.6) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 3 -6.967 -1.827 17.005 1.00 53.14 N ATOM 37 CA ASN A 3 -6.514 -2.122 15.643 1.00 24.33 C ATOM 38 C ASN A 3 -5.027 -2.523 15.633 1.00 44.12 C ATOM 39 O ASN A 3 -4.185 -1.734 16.100 1.00 21.23 O ATOM 40 CB ASN A 3 -6.733 -0.887 14.743 1.00 14.32 C ATOM 41 CG ASN A 3 -8.191 -0.448 14.686 1.00 53.23 C ATOM 42 OD1 ASN A 3 -8.624 0.414 15.451 1.00 63.30 O ATOM 43 ND2 ASN A 3 -8.961 -1.068 13.812 1.00 11.43 N ATOM 0 HA ASN A 3 -7.096 -2.960 15.259 1.00 24.33 H new ATOM 0 HB2 ASN A 3 -6.124 -0.062 15.112 1.00 14.32 H new ATOM 0 HB3 ASN A 3 -6.387 -1.112 13.734 1.00 14.32 H new ATOM 0 HD21 ASN A 3 -9.953 -0.838 13.753 1.00 11.43 H new ATOM 0 HD22 ASN A 3 -8.564 -1.777 13.195 1.00 11.43 H new ATOM 50 N PRO A 4 -4.676 -3.753 15.111 1.00 41.42 N ATOM 51 CA PRO A 4 -3.269 -4.202 15.015 1.00 22.03 C ATOM 52 C PRO A 4 -2.463 -3.242 14.116 1.00 14.11 C ATOM 53 O PRO A 4 -2.771 -3.081 12.923 1.00 2.22 O ATOM 54 CB PRO A 4 -3.374 -5.633 14.407 1.00 74.41 C ATOM 55 CG PRO A 4 -4.723 -5.682 13.750 1.00 23.15 C ATOM 56 CD PRO A 4 -5.612 -4.786 14.583 1.00 33.24 C ATOM 0 HA PRO A 4 -2.747 -4.210 15.972 1.00 22.03 H new ATOM 0 HB2 PRO A 4 -2.577 -5.814 13.685 1.00 74.41 H new ATOM 0 HB3 PRO A 4 -3.284 -6.397 15.179 1.00 74.41 H new ATOM 0 HG2 PRO A 4 -4.670 -5.333 12.719 1.00 23.15 H new ATOM 0 HG3 PRO A 4 -5.109 -6.701 13.722 1.00 23.15 H new ATOM 0 HD2 PRO A 4 -6.405 -4.339 13.983 1.00 33.24 H new ATOM 0 HD3 PRO A 4 -6.095 -5.338 15.389 1.00 33.24 H new ATOM 64 N THR A 5 -1.443 -2.610 14.701 1.00 34.00 N ATOM 65 CA THR A 5 -0.670 -1.566 14.048 1.00 72.02 C ATOM 66 C THR A 5 0.588 -2.192 13.425 1.00 75.23 C ATOM 67 O THR A 5 1.311 -2.955 14.080 1.00 43.15 O ATOM 68 CB THR A 5 -0.317 -0.450 15.084 1.00 64.45 C ATOM 69 OG1 THR A 5 -1.519 0.228 15.498 1.00 0.24 O ATOM 70 CG2 THR A 5 0.717 0.566 14.551 1.00 61.30 C ATOM 0 H THR A 5 -1.132 -2.815 15.651 1.00 34.00 H new ATOM 0 HA THR A 5 -1.249 -1.101 13.250 1.00 72.02 H new ATOM 0 HB THR A 5 0.147 -0.942 15.939 1.00 64.45 H new ATOM 0 HG1 THR A 5 -1.634 0.128 16.466 1.00 0.24 H new ATOM 0 HG21 THR A 5 0.920 1.315 15.317 1.00 61.30 H new ATOM 0 HG22 THR A 5 1.641 0.046 14.298 1.00 61.30 H new ATOM 0 HG23 THR A 5 0.321 1.055 13.661 1.00 61.30 H new ATOM 78 N VAL A 6 0.816 -1.873 12.143 1.00 51.32 N ATOM 79 CA VAL A 6 1.952 -2.374 11.365 1.00 54.34 C ATOM 80 C VAL A 6 3.031 -1.295 11.333 1.00 51.45 C ATOM 81 O VAL A 6 2.727 -0.129 11.487 1.00 22.35 O ATOM 82 CB VAL A 6 1.524 -2.797 9.902 1.00 55.32 C ATOM 83 CG1 VAL A 6 2.711 -3.390 9.099 1.00 12.33 C ATOM 84 CG2 VAL A 6 0.363 -3.810 9.959 1.00 25.01 C ATOM 0 H VAL A 6 0.206 -1.251 11.612 1.00 51.32 H new ATOM 0 HA VAL A 6 2.342 -3.273 11.842 1.00 54.34 H new ATOM 0 HB VAL A 6 1.194 -1.897 9.384 1.00 55.32 H new ATOM 0 HG11 VAL A 6 2.373 -3.667 8.101 1.00 12.33 H new ATOM 0 HG12 VAL A 6 3.504 -2.647 9.020 1.00 12.33 H new ATOM 0 HG13 VAL A 6 3.091 -4.274 9.611 1.00 12.33 H new ATOM 0 HG21 VAL A 6 0.077 -4.093 8.946 1.00 25.01 H new ATOM 0 HG22 VAL A 6 0.680 -4.697 10.508 1.00 25.01 H new ATOM 0 HG23 VAL A 6 -0.491 -3.357 10.463 1.00 25.01 H new ATOM 94 N PHE A 7 4.293 -1.702 11.194 1.00 52.42 N ATOM 95 CA PHE A 7 5.432 -0.786 11.144 1.00 53.45 C ATOM 96 C PHE A 7 6.429 -1.257 10.090 1.00 54.24 C ATOM 97 O PHE A 7 6.769 -2.450 10.030 1.00 62.32 O ATOM 98 CB PHE A 7 6.115 -0.712 12.527 1.00 72.13 C ATOM 99 CG PHE A 7 7.361 0.163 12.573 1.00 54.05 C ATOM 100 CD1 PHE A 7 7.272 1.524 12.317 1.00 42.11 C ATOM 101 CD2 PHE A 7 8.613 -0.370 12.875 1.00 41.44 C ATOM 102 CE1 PHE A 7 8.386 2.329 12.362 1.00 31.44 C ATOM 103 CE2 PHE A 7 9.730 0.437 12.919 1.00 24.11 C ATOM 104 CZ PHE A 7 9.617 1.786 12.662 1.00 14.10 C ATOM 0 H PHE A 7 4.555 -2.684 11.112 1.00 52.42 H new ATOM 0 HA PHE A 7 5.076 0.209 10.876 1.00 53.45 H new ATOM 0 HB2 PHE A 7 5.395 -0.335 13.253 1.00 72.13 H new ATOM 0 HB3 PHE A 7 6.384 -1.721 12.839 1.00 72.13 H new ATOM 0 HD1 PHE A 7 6.312 1.958 12.079 1.00 42.11 H new ATOM 0 HD2 PHE A 7 8.709 -1.427 13.077 1.00 41.44 H new ATOM 0 HE1 PHE A 7 8.296 3.387 12.162 1.00 31.44 H new ATOM 0 HE2 PHE A 7 10.694 0.012 13.155 1.00 24.11 H new ATOM 0 HZ PHE A 7 10.492 2.418 12.696 1.00 14.10 H new ATOM 114 N PHE A 8 6.875 -0.300 9.277 1.00 11.13 N ATOM 115 CA PHE A 8 7.956 -0.469 8.306 1.00 25.23 C ATOM 116 C PHE A 8 8.888 0.739 8.384 1.00 12.34 C ATOM 117 O PHE A 8 8.535 1.790 8.942 1.00 4.32 O ATOM 118 CB PHE A 8 7.421 -0.591 6.857 1.00 54.25 C ATOM 119 CG PHE A 8 6.499 -1.779 6.602 1.00 34.45 C ATOM 120 CD1 PHE A 8 6.913 -3.089 6.871 1.00 13.33 C ATOM 121 CD2 PHE A 8 5.239 -1.591 6.062 1.00 31.21 C ATOM 122 CE1 PHE A 8 6.086 -4.162 6.602 1.00 51.44 C ATOM 123 CE2 PHE A 8 4.413 -2.659 5.798 1.00 43.21 C ATOM 124 CZ PHE A 8 4.835 -3.946 6.066 1.00 72.25 C ATOM 0 H PHE A 8 6.483 0.642 9.276 1.00 11.13 H new ATOM 0 HA PHE A 8 8.484 -1.390 8.551 1.00 25.23 H new ATOM 0 HB2 PHE A 8 6.885 0.324 6.607 1.00 54.25 H new ATOM 0 HB3 PHE A 8 8.271 -0.659 6.178 1.00 54.25 H new ATOM 0 HD1 PHE A 8 7.891 -3.263 7.294 1.00 13.33 H new ATOM 0 HD2 PHE A 8 4.898 -0.590 5.844 1.00 31.21 H new ATOM 0 HE1 PHE A 8 6.419 -5.168 6.811 1.00 51.44 H new ATOM 0 HE2 PHE A 8 3.432 -2.490 5.380 1.00 43.21 H new ATOM 0 HZ PHE A 8 4.185 -4.783 5.856 1.00 72.25 H new ATOM 134 N ASP A 9 10.072 0.576 7.803 1.00 52.55 N ATOM 135 CA ASP A 9 11.032 1.668 7.603 1.00 44.14 C ATOM 136 C ASP A 9 11.053 1.997 6.113 1.00 44.32 C ATOM 137 O ASP A 9 11.421 1.151 5.302 1.00 31.54 O ATOM 138 CB ASP A 9 12.446 1.271 8.096 1.00 5.12 C ATOM 139 CG ASP A 9 12.476 0.898 9.587 1.00 71.21 C ATOM 140 OD1 ASP A 9 12.268 1.793 10.431 1.00 23.50 O ATOM 141 OD2 ASP A 9 12.736 -0.281 9.921 1.00 32.24 O ATOM 0 H ASP A 9 10.400 -0.324 7.453 1.00 52.55 H new ATOM 0 HA ASP A 9 10.729 2.540 8.183 1.00 44.14 H new ATOM 0 HB2 ASP A 9 12.807 0.427 7.508 1.00 5.12 H new ATOM 0 HB3 ASP A 9 13.133 2.099 7.920 1.00 5.12 H new ATOM 146 N ILE A 10 10.601 3.198 5.751 1.00 64.32 N ATOM 147 CA ILE A 10 10.611 3.656 4.357 1.00 55.33 C ATOM 148 C ILE A 10 12.018 4.177 4.008 1.00 62.01 C ATOM 149 O ILE A 10 12.569 5.004 4.737 1.00 15.24 O ATOM 150 CB ILE A 10 9.521 4.760 4.115 1.00 25.34 C ATOM 151 CG1 ILE A 10 8.084 4.202 4.422 1.00 5.33 C ATOM 152 CG2 ILE A 10 9.615 5.317 2.679 1.00 31.11 C ATOM 153 CD1 ILE A 10 7.673 2.956 3.634 1.00 33.11 C ATOM 0 H ILE A 10 10.220 3.878 6.409 1.00 64.32 H new ATOM 0 HA ILE A 10 10.367 2.819 3.703 1.00 55.33 H new ATOM 0 HB ILE A 10 9.709 5.585 4.802 1.00 25.34 H new ATOM 0 HG12 ILE A 10 8.023 3.973 5.486 1.00 5.33 H new ATOM 0 HG13 ILE A 10 7.358 4.991 4.224 1.00 5.33 H new ATOM 0 HG21 ILE A 10 8.850 6.080 2.534 1.00 31.11 H new ATOM 0 HG22 ILE A 10 10.600 5.756 2.523 1.00 31.11 H new ATOM 0 HG23 ILE A 10 9.461 4.509 1.964 1.00 31.11 H new ATOM 0 HD11 ILE A 10 6.666 2.658 3.924 1.00 33.11 H new ATOM 0 HD12 ILE A 10 7.693 3.177 2.567 1.00 33.11 H new ATOM 0 HD13 ILE A 10 8.368 2.144 3.849 1.00 33.11 H new ATOM 165 N ALA A 11 12.574 3.702 2.885 1.00 71.13 N ATOM 166 CA ALA A 11 13.988 3.894 2.540 1.00 20.21 C ATOM 167 C ALA A 11 14.156 4.373 1.096 1.00 35.24 C ATOM 168 O ALA A 11 13.558 3.805 0.193 1.00 11.35 O ATOM 169 CB ALA A 11 14.723 2.565 2.751 1.00 42.02 C ATOM 0 H ALA A 11 12.052 3.171 2.187 1.00 71.13 H new ATOM 0 HA ALA A 11 14.410 4.666 3.184 1.00 20.21 H new ATOM 0 HB1 ALA A 11 15.776 2.688 2.499 1.00 42.02 H new ATOM 0 HB2 ALA A 11 14.632 2.260 3.794 1.00 42.02 H new ATOM 0 HB3 ALA A 11 14.284 1.801 2.110 1.00 42.02 H new ATOM 175 N VAL A 12 14.998 5.403 0.905 1.00 33.23 N ATOM 176 CA VAL A 12 15.377 5.941 -0.414 1.00 52.22 C ATOM 177 C VAL A 12 16.698 5.274 -0.865 1.00 64.11 C ATOM 178 O VAL A 12 17.762 5.502 -0.270 1.00 63.41 O ATOM 179 CB VAL A 12 15.515 7.516 -0.336 1.00 31.43 C ATOM 180 CG1 VAL A 12 16.175 8.121 -1.597 1.00 51.35 C ATOM 181 CG2 VAL A 12 14.126 8.157 -0.081 1.00 62.45 C ATOM 0 H VAL A 12 15.444 5.895 1.679 1.00 33.23 H new ATOM 0 HA VAL A 12 14.605 5.717 -1.150 1.00 52.22 H new ATOM 0 HB VAL A 12 16.178 7.743 0.499 1.00 31.43 H new ATOM 0 HG11 VAL A 12 16.244 9.203 -1.488 1.00 51.35 H new ATOM 0 HG12 VAL A 12 17.175 7.704 -1.720 1.00 51.35 H new ATOM 0 HG13 VAL A 12 15.572 7.882 -2.473 1.00 51.35 H new ATOM 0 HG21 VAL A 12 14.230 9.241 -0.029 1.00 62.45 H new ATOM 0 HG22 VAL A 12 13.450 7.896 -0.895 1.00 62.45 H new ATOM 0 HG23 VAL A 12 13.721 7.785 0.860 1.00 62.45 H new ATOM 191 N ASP A 13 16.578 4.406 -1.892 1.00 13.51 N ATOM 192 CA ASP A 13 17.662 3.529 -2.412 1.00 21.44 C ATOM 193 C ASP A 13 18.229 2.597 -1.325 1.00 0.35 C ATOM 194 O ASP A 13 19.372 2.135 -1.428 1.00 4.44 O ATOM 195 CB ASP A 13 18.789 4.348 -3.097 1.00 63.41 C ATOM 196 CG ASP A 13 18.277 5.169 -4.284 1.00 22.54 C ATOM 197 OD1 ASP A 13 17.953 4.574 -5.335 1.00 70.42 O ATOM 198 OD2 ASP A 13 18.207 6.406 -4.175 1.00 1.00 O ATOM 0 H ASP A 13 15.702 4.289 -2.400 1.00 13.51 H new ATOM 0 HA ASP A 13 17.208 2.894 -3.173 1.00 21.44 H new ATOM 0 HB2 ASP A 13 19.244 5.016 -2.366 1.00 63.41 H new ATOM 0 HB3 ASP A 13 19.571 3.670 -3.439 1.00 63.41 H new ATOM 203 N GLY A 14 17.402 2.299 -0.306 1.00 73.34 N ATOM 204 CA GLY A 14 17.795 1.412 0.789 1.00 54.13 C ATOM 205 C GLY A 14 18.207 2.158 2.051 1.00 73.45 C ATOM 206 O GLY A 14 18.295 1.544 3.118 1.00 5.25 O ATOM 0 H GLY A 14 16.454 2.665 -0.224 1.00 73.34 H new ATOM 0 HA2 GLY A 14 16.964 0.746 1.024 1.00 54.13 H new ATOM 0 HA3 GLY A 14 18.623 0.785 0.460 1.00 54.13 H new ATOM 210 N GLU A 15 18.459 3.482 1.941 1.00 25.02 N ATOM 211 CA GLU A 15 18.801 4.325 3.109 1.00 31.30 C ATOM 212 C GLU A 15 17.510 4.857 3.756 1.00 53.44 C ATOM 213 O GLU A 15 16.803 5.634 3.113 1.00 31.30 O ATOM 214 CB GLU A 15 19.717 5.508 2.699 1.00 72.30 C ATOM 215 CG GLU A 15 20.986 5.089 1.947 1.00 44.23 C ATOM 216 CD GLU A 15 21.835 4.035 2.684 1.00 32.32 C ATOM 217 OE1 GLU A 15 22.582 4.400 3.614 1.00 1.35 O ATOM 218 OE2 GLU A 15 21.750 2.830 2.344 1.00 52.41 O ATOM 0 H GLU A 15 18.432 3.989 1.056 1.00 25.02 H new ATOM 0 HA GLU A 15 19.346 3.713 3.828 1.00 31.30 H new ATOM 0 HB2 GLU A 15 19.147 6.194 2.073 1.00 72.30 H new ATOM 0 HB3 GLU A 15 20.004 6.058 3.595 1.00 72.30 H new ATOM 0 HG2 GLU A 15 20.703 4.695 0.971 1.00 44.23 H new ATOM 0 HG3 GLU A 15 21.598 5.973 1.768 1.00 44.23 H new ATOM 225 N PRO A 16 17.187 4.436 5.028 1.00 73.22 N ATOM 226 CA PRO A 16 15.956 4.858 5.748 1.00 54.45 C ATOM 227 C PRO A 16 15.739 6.393 5.751 1.00 72.13 C ATOM 228 O PRO A 16 16.486 7.145 6.394 1.00 55.14 O ATOM 229 CB PRO A 16 16.162 4.303 7.186 1.00 74.40 C ATOM 230 CG PRO A 16 17.098 3.142 7.024 1.00 3.23 C ATOM 231 CD PRO A 16 18.004 3.498 5.855 1.00 41.04 C ATOM 0 HA PRO A 16 15.058 4.475 5.263 1.00 54.45 H new ATOM 0 HB2 PRO A 16 16.584 5.062 7.845 1.00 74.40 H new ATOM 0 HB3 PRO A 16 15.216 3.989 7.627 1.00 74.40 H new ATOM 0 HG2 PRO A 16 17.678 2.978 7.932 1.00 3.23 H new ATOM 0 HG3 PRO A 16 16.548 2.222 6.826 1.00 3.23 H new ATOM 0 HD2 PRO A 16 18.927 3.968 6.195 1.00 41.04 H new ATOM 0 HD3 PRO A 16 18.288 2.612 5.288 1.00 41.04 H new ATOM 239 N LEU A 17 14.731 6.830 4.978 1.00 21.32 N ATOM 240 CA LEU A 17 14.294 8.234 4.911 1.00 14.12 C ATOM 241 C LEU A 17 13.453 8.570 6.151 1.00 25.14 C ATOM 242 O LEU A 17 13.584 9.656 6.731 1.00 20.21 O ATOM 243 CB LEU A 17 13.442 8.473 3.632 1.00 24.24 C ATOM 244 CG LEU A 17 12.877 9.925 3.440 1.00 23.13 C ATOM 245 CD1 LEU A 17 14.014 10.947 3.223 1.00 3.42 C ATOM 246 CD2 LEU A 17 11.836 9.978 2.297 1.00 13.43 C ATOM 0 H LEU A 17 14.190 6.210 4.375 1.00 21.32 H new ATOM 0 HA LEU A 17 15.175 8.875 4.877 1.00 14.12 H new ATOM 0 HB2 LEU A 17 14.051 8.224 2.763 1.00 24.24 H new ATOM 0 HB3 LEU A 17 12.603 7.777 3.644 1.00 24.24 H new ATOM 0 HG LEU A 17 12.363 10.203 4.360 1.00 23.13 H new ATOM 0 HD11 LEU A 17 13.589 11.942 3.093 1.00 3.42 H new ATOM 0 HD12 LEU A 17 14.675 10.945 4.089 1.00 3.42 H new ATOM 0 HD13 LEU A 17 14.582 10.676 2.333 1.00 3.42 H new ATOM 0 HD21 LEU A 17 11.464 10.997 2.190 1.00 13.43 H new ATOM 0 HD22 LEU A 17 12.303 9.663 1.364 1.00 13.43 H new ATOM 0 HD23 LEU A 17 11.005 9.312 2.530 1.00 13.43 H new ATOM 258 N GLY A 18 12.596 7.615 6.545 1.00 33.34 N ATOM 259 CA GLY A 18 11.713 7.792 7.686 1.00 32.42 C ATOM 260 C GLY A 18 11.062 6.497 8.130 1.00 24.41 C ATOM 261 O GLY A 18 11.157 5.472 7.448 1.00 31.22 O ATOM 0 H GLY A 18 12.503 6.711 6.081 1.00 33.34 H new ATOM 0 HA2 GLY A 18 12.280 8.212 8.517 1.00 32.42 H new ATOM 0 HA3 GLY A 18 10.938 8.515 7.431 1.00 32.42 H new ATOM 265 N ARG A 19 10.400 6.556 9.291 1.00 20.02 N ATOM 266 CA ARG A 19 9.723 5.411 9.918 1.00 1.23 C ATOM 267 C ARG A 19 8.206 5.632 9.847 1.00 53.02 C ATOM 268 O ARG A 19 7.716 6.695 10.240 1.00 63.13 O ATOM 269 CB ARG A 19 10.200 5.275 11.388 1.00 24.35 C ATOM 270 CG ARG A 19 11.712 5.003 11.541 1.00 25.31 C ATOM 271 CD ARG A 19 12.130 4.824 13.011 1.00 54.13 C ATOM 272 NE ARG A 19 11.894 6.045 13.813 1.00 34.55 N ATOM 273 CZ ARG A 19 11.824 6.096 15.157 1.00 71.32 C ATOM 274 NH1 ARG A 19 11.965 4.998 15.897 1.00 12.15 N ATOM 275 NH2 ARG A 19 11.595 7.255 15.758 1.00 11.23 N ATOM 0 H ARG A 19 10.317 7.416 9.833 1.00 20.02 H new ATOM 0 HA ARG A 19 9.967 4.488 9.393 1.00 1.23 H new ATOM 0 HB2 ARG A 19 9.951 6.190 11.925 1.00 24.35 H new ATOM 0 HB3 ARG A 19 9.647 4.465 11.864 1.00 24.35 H new ATOM 0 HG2 ARG A 19 11.976 4.107 10.979 1.00 25.31 H new ATOM 0 HG3 ARG A 19 12.273 5.829 11.105 1.00 25.31 H new ATOM 0 HD2 ARG A 19 11.575 3.993 13.446 1.00 54.13 H new ATOM 0 HD3 ARG A 19 13.187 4.560 13.057 1.00 54.13 H new ATOM 0 HE ARG A 19 11.774 6.922 13.305 1.00 34.55 H new ATOM 0 HH11 ARG A 19 12.129 4.097 15.447 1.00 12.15 H new ATOM 0 HH12 ARG A 19 11.909 5.058 16.914 1.00 12.15 H new ATOM 0 HH21 ARG A 19 11.473 8.102 15.203 1.00 11.23 H new ATOM 0 HH22 ARG A 19 11.541 7.300 16.776 1.00 11.23 H new ATOM 289 N VAL A 20 7.472 4.635 9.325 1.00 2.13 N ATOM 290 CA VAL A 20 6.025 4.741 9.068 1.00 62.45 C ATOM 291 C VAL A 20 5.275 3.545 9.682 1.00 11.01 C ATOM 292 O VAL A 20 5.565 2.393 9.360 1.00 53.11 O ATOM 293 CB VAL A 20 5.732 4.829 7.516 1.00 71.53 C ATOM 294 CG1 VAL A 20 4.221 4.796 7.215 1.00 33.30 C ATOM 295 CG2 VAL A 20 6.377 6.092 6.898 1.00 33.23 C ATOM 0 H VAL A 20 7.866 3.730 9.068 1.00 2.13 H new ATOM 0 HA VAL A 20 5.668 5.657 9.539 1.00 62.45 H new ATOM 0 HB VAL A 20 6.182 3.949 7.056 1.00 71.53 H new ATOM 0 HG11 VAL A 20 4.063 4.859 6.138 1.00 33.30 H new ATOM 0 HG12 VAL A 20 3.795 3.865 7.591 1.00 33.30 H new ATOM 0 HG13 VAL A 20 3.734 5.641 7.703 1.00 33.30 H new ATOM 0 HG21 VAL A 20 6.159 6.126 5.831 1.00 33.23 H new ATOM 0 HG22 VAL A 20 5.971 6.981 7.380 1.00 33.23 H new ATOM 0 HG23 VAL A 20 7.456 6.060 7.047 1.00 33.23 H new ATOM 305 N SER A 21 4.315 3.843 10.572 1.00 23.11 N ATOM 306 CA SER A 21 3.410 2.847 11.152 1.00 20.54 C ATOM 307 C SER A 21 2.002 2.990 10.531 1.00 42.44 C ATOM 308 O SER A 21 1.458 4.097 10.462 1.00 53.21 O ATOM 309 CB SER A 21 3.332 3.017 12.685 1.00 13.33 C ATOM 310 OG SER A 21 4.624 3.038 13.271 1.00 50.11 O ATOM 0 H SER A 21 4.147 4.791 10.910 1.00 23.11 H new ATOM 0 HA SER A 21 3.798 1.852 10.932 1.00 20.54 H new ATOM 0 HB2 SER A 21 2.808 3.942 12.924 1.00 13.33 H new ATOM 0 HB3 SER A 21 2.750 2.201 13.114 1.00 13.33 H new ATOM 0 HG SER A 21 4.541 3.148 14.241 1.00 50.11 H new ATOM 316 N PHE A 22 1.444 1.862 10.067 1.00 62.02 N ATOM 317 CA PHE A 22 0.072 1.765 9.536 1.00 14.20 C ATOM 318 C PHE A 22 -0.864 1.174 10.601 1.00 30.14 C ATOM 319 O PHE A 22 -0.407 0.676 11.620 1.00 62.24 O ATOM 320 CB PHE A 22 0.060 0.872 8.270 1.00 65.45 C ATOM 321 CG PHE A 22 0.987 1.371 7.170 1.00 45.32 C ATOM 322 CD1 PHE A 22 0.612 2.445 6.362 1.00 32.03 C ATOM 323 CD2 PHE A 22 2.226 0.768 6.938 1.00 12.41 C ATOM 324 CE1 PHE A 22 1.443 2.896 5.361 1.00 60.24 C ATOM 325 CE2 PHE A 22 3.056 1.225 5.934 1.00 34.45 C ATOM 326 CZ PHE A 22 2.665 2.284 5.146 1.00 21.11 C ATOM 0 H PHE A 22 1.942 0.972 10.049 1.00 62.02 H new ATOM 0 HA PHE A 22 -0.278 2.763 9.273 1.00 14.20 H new ATOM 0 HB2 PHE A 22 0.349 -0.142 8.547 1.00 65.45 H new ATOM 0 HB3 PHE A 22 -0.957 0.819 7.882 1.00 65.45 H new ATOM 0 HD1 PHE A 22 -0.340 2.928 6.524 1.00 32.03 H new ATOM 0 HD2 PHE A 22 2.538 -0.065 7.551 1.00 12.41 H new ATOM 0 HE1 PHE A 22 1.141 3.728 4.743 1.00 60.24 H new ATOM 0 HE2 PHE A 22 4.012 0.752 5.767 1.00 34.45 H new ATOM 0 HZ PHE A 22 3.314 2.638 4.358 1.00 21.11 H new ATOM 336 N GLU A 23 -2.171 1.213 10.336 1.00 72.40 N ATOM 337 CA GLU A 23 -3.207 0.735 11.266 1.00 33.21 C ATOM 338 C GLU A 23 -4.235 -0.097 10.493 1.00 11.45 C ATOM 339 O GLU A 23 -4.881 0.425 9.580 1.00 23.11 O ATOM 340 CB GLU A 23 -3.892 1.946 11.946 1.00 1.42 C ATOM 341 CG GLU A 23 -4.913 1.560 13.028 1.00 25.32 C ATOM 342 CD GLU A 23 -5.452 2.753 13.823 1.00 24.51 C ATOM 343 OE1 GLU A 23 -6.212 3.559 13.245 1.00 0.52 O ATOM 344 OE2 GLU A 23 -5.124 2.890 15.027 1.00 62.11 O ATOM 0 H GLU A 23 -2.548 1.580 9.462 1.00 72.40 H new ATOM 0 HA GLU A 23 -2.754 0.112 12.037 1.00 33.21 H new ATOM 0 HB2 GLU A 23 -3.126 2.580 12.393 1.00 1.42 H new ATOM 0 HB3 GLU A 23 -4.394 2.542 11.184 1.00 1.42 H new ATOM 0 HG2 GLU A 23 -5.748 1.042 12.558 1.00 25.32 H new ATOM 0 HG3 GLU A 23 -4.448 0.856 13.718 1.00 25.32 H new ATOM 351 N LEU A 24 -4.377 -1.387 10.854 1.00 2.23 N ATOM 352 CA LEU A 24 -5.283 -2.316 10.154 1.00 52.41 C ATOM 353 C LEU A 24 -6.624 -2.422 10.882 1.00 2.22 C ATOM 354 O LEU A 24 -6.665 -2.721 12.081 1.00 61.54 O ATOM 355 CB LEU A 24 -4.648 -3.724 10.030 1.00 24.45 C ATOM 356 CG LEU A 24 -3.249 -3.793 9.350 1.00 75.42 C ATOM 357 CD1 LEU A 24 -2.835 -5.256 9.117 1.00 13.31 C ATOM 358 CD2 LEU A 24 -3.194 -2.975 8.041 1.00 10.21 C ATOM 0 H LEU A 24 -3.872 -1.811 11.632 1.00 2.23 H new ATOM 0 HA LEU A 24 -5.452 -1.917 9.154 1.00 52.41 H new ATOM 0 HB2 LEU A 24 -4.564 -4.150 11.030 1.00 24.45 H new ATOM 0 HB3 LEU A 24 -5.333 -4.360 9.469 1.00 24.45 H new ATOM 0 HG LEU A 24 -2.530 -3.336 10.031 1.00 75.42 H new ATOM 0 HD11 LEU A 24 -1.855 -5.285 8.641 1.00 13.31 H new ATOM 0 HD12 LEU A 24 -2.790 -5.778 10.073 1.00 13.31 H new ATOM 0 HD13 LEU A 24 -3.566 -5.743 8.472 1.00 13.31 H new ATOM 0 HD21 LEU A 24 -2.199 -3.054 7.604 1.00 10.21 H new ATOM 0 HD22 LEU A 24 -3.931 -3.364 7.338 1.00 10.21 H new ATOM 0 HD23 LEU A 24 -3.414 -1.929 8.256 1.00 10.21 H new ATOM 370 N PHE A 25 -7.717 -2.210 10.142 1.00 0.31 N ATOM 371 CA PHE A 25 -9.082 -2.357 10.653 1.00 54.01 C ATOM 372 C PHE A 25 -9.517 -3.825 10.517 1.00 30.31 C ATOM 373 O PHE A 25 -10.415 -4.157 9.747 1.00 75.42 O ATOM 374 CB PHE A 25 -10.047 -1.392 9.912 1.00 45.14 C ATOM 375 CG PHE A 25 -9.645 0.094 9.972 1.00 1.52 C ATOM 376 CD1 PHE A 25 -8.600 0.591 9.181 1.00 14.44 C ATOM 377 CD2 PHE A 25 -10.317 0.992 10.801 1.00 33.43 C ATOM 378 CE1 PHE A 25 -8.240 1.924 9.224 1.00 53.13 C ATOM 379 CE2 PHE A 25 -9.957 2.329 10.840 1.00 42.02 C ATOM 380 CZ PHE A 25 -8.919 2.794 10.052 1.00 3.31 C ATOM 0 H PHE A 25 -7.678 -1.929 9.162 1.00 0.31 H new ATOM 0 HA PHE A 25 -9.114 -2.088 11.709 1.00 54.01 H new ATOM 0 HB2 PHE A 25 -10.110 -1.695 8.867 1.00 45.14 H new ATOM 0 HB3 PHE A 25 -11.045 -1.502 10.336 1.00 45.14 H new ATOM 0 HD1 PHE A 25 -8.066 -0.081 8.525 1.00 14.44 H new ATOM 0 HD2 PHE A 25 -11.129 0.640 11.421 1.00 33.43 H new ATOM 0 HE1 PHE A 25 -7.428 2.285 8.610 1.00 53.13 H new ATOM 0 HE2 PHE A 25 -10.488 3.011 11.488 1.00 42.02 H new ATOM 0 HZ PHE A 25 -8.641 3.837 10.085 1.00 3.31 H new ATOM 390 N ALA A 26 -8.835 -4.698 11.280 1.00 62.44 N ATOM 391 CA ALA A 26 -9.089 -6.158 11.305 1.00 10.32 C ATOM 392 C ALA A 26 -10.480 -6.490 11.874 1.00 33.14 C ATOM 393 O ALA A 26 -11.025 -7.577 11.644 1.00 55.22 O ATOM 394 CB ALA A 26 -7.996 -6.850 12.130 1.00 33.43 C ATOM 0 H ALA A 26 -8.082 -4.411 11.905 1.00 62.44 H new ATOM 0 HA ALA A 26 -9.066 -6.525 10.279 1.00 10.32 H new ATOM 0 HB1 ALA A 26 -8.180 -7.924 12.150 1.00 33.43 H new ATOM 0 HB2 ALA A 26 -7.023 -6.657 11.679 1.00 33.43 H new ATOM 0 HB3 ALA A 26 -8.007 -6.461 13.148 1.00 33.43 H new ATOM 400 N ASP A 27 -11.024 -5.530 12.627 1.00 55.32 N ATOM 401 CA ASP A 27 -12.349 -5.619 13.245 1.00 23.11 C ATOM 402 C ASP A 27 -13.477 -5.371 12.213 1.00 41.34 C ATOM 403 O ASP A 27 -14.618 -5.788 12.427 1.00 72.05 O ATOM 404 CB ASP A 27 -12.433 -4.603 14.421 1.00 61.05 C ATOM 405 CG ASP A 27 -12.392 -3.114 13.990 1.00 42.32 C ATOM 406 OD1 ASP A 27 -11.430 -2.695 13.300 1.00 61.34 O ATOM 407 OD2 ASP A 27 -13.317 -2.355 14.349 1.00 43.22 O ATOM 0 H ASP A 27 -10.546 -4.652 12.828 1.00 55.32 H new ATOM 0 HA ASP A 27 -12.490 -6.629 13.630 1.00 23.11 H new ATOM 0 HB2 ASP A 27 -13.355 -4.783 14.974 1.00 61.05 H new ATOM 0 HB3 ASP A 27 -11.608 -4.792 15.107 1.00 61.05 H new ATOM 412 N LYS A 28 -13.141 -4.692 11.103 1.00 53.03 N ATOM 413 CA LYS A 28 -14.117 -4.302 10.059 1.00 44.12 C ATOM 414 C LYS A 28 -13.960 -5.175 8.801 1.00 12.42 C ATOM 415 O LYS A 28 -14.946 -5.693 8.263 1.00 3.21 O ATOM 416 CB LYS A 28 -13.941 -2.801 9.710 1.00 72.12 C ATOM 417 CG LYS A 28 -14.168 -1.865 10.913 1.00 44.04 C ATOM 418 CD LYS A 28 -13.955 -0.378 10.575 1.00 63.11 C ATOM 419 CE LYS A 28 -14.164 0.514 11.803 1.00 22.25 C ATOM 420 NZ LYS A 28 -13.224 0.171 12.903 1.00 71.31 N ATOM 0 H LYS A 28 -12.186 -4.396 10.900 1.00 53.03 H new ATOM 0 HA LYS A 28 -15.123 -4.460 10.447 1.00 44.12 H new ATOM 0 HB2 LYS A 28 -12.936 -2.641 9.319 1.00 72.12 H new ATOM 0 HB3 LYS A 28 -14.638 -2.536 8.915 1.00 72.12 H new ATOM 0 HG2 LYS A 28 -15.183 -2.004 11.287 1.00 44.04 H new ATOM 0 HG3 LYS A 28 -13.490 -2.148 11.718 1.00 44.04 H new ATOM 0 HD2 LYS A 28 -12.947 -0.233 10.186 1.00 63.11 H new ATOM 0 HD3 LYS A 28 -14.646 -0.081 9.786 1.00 63.11 H new ATOM 0 HE2 LYS A 28 -14.028 1.558 11.521 1.00 22.25 H new ATOM 0 HE3 LYS A 28 -15.190 0.411 12.157 1.00 22.25 H new ATOM 0 HZ1 LYS A 28 -12.993 1.030 13.443 1.00 71.31 H new ATOM 0 HZ2 LYS A 28 -13.668 -0.526 13.534 1.00 71.31 H new ATOM 0 HZ3 LYS A 28 -12.352 -0.231 12.502 1.00 71.31 H new ATOM 434 N VAL A 29 -12.710 -5.311 8.337 1.00 62.42 N ATOM 435 CA VAL A 29 -12.349 -6.097 7.137 1.00 12.03 C ATOM 436 C VAL A 29 -11.330 -7.202 7.525 1.00 34.22 C ATOM 437 O VAL A 29 -10.123 -7.076 7.269 1.00 24.54 O ATOM 438 CB VAL A 29 -11.806 -5.147 5.983 1.00 65.23 C ATOM 439 CG1 VAL A 29 -12.947 -4.291 5.392 1.00 60.22 C ATOM 440 CG2 VAL A 29 -10.663 -4.226 6.484 1.00 74.12 C ATOM 0 H VAL A 29 -11.906 -4.874 8.787 1.00 62.42 H new ATOM 0 HA VAL A 29 -13.238 -6.589 6.741 1.00 12.03 H new ATOM 0 HB VAL A 29 -11.403 -5.793 5.203 1.00 65.23 H new ATOM 0 HG11 VAL A 29 -12.551 -3.650 4.605 1.00 60.22 H new ATOM 0 HG12 VAL A 29 -13.714 -4.944 4.976 1.00 60.22 H new ATOM 0 HG13 VAL A 29 -13.383 -3.674 6.177 1.00 60.22 H new ATOM 0 HG21 VAL A 29 -10.320 -3.593 5.665 1.00 74.12 H new ATOM 0 HG22 VAL A 29 -11.030 -3.600 7.297 1.00 74.12 H new ATOM 0 HG23 VAL A 29 -9.834 -4.837 6.842 1.00 74.12 H new ATOM 450 N PRO A 30 -11.806 -8.322 8.178 1.00 14.14 N ATOM 451 CA PRO A 30 -10.907 -9.368 8.725 1.00 73.42 C ATOM 452 C PRO A 30 -10.059 -10.051 7.641 1.00 53.15 C ATOM 453 O PRO A 30 -8.891 -10.314 7.866 1.00 22.54 O ATOM 454 CB PRO A 30 -11.869 -10.370 9.432 1.00 33.13 C ATOM 455 CG PRO A 30 -13.219 -10.122 8.825 1.00 30.03 C ATOM 456 CD PRO A 30 -13.238 -8.655 8.439 1.00 4.25 C ATOM 0 HA PRO A 30 -10.169 -8.947 9.408 1.00 73.42 H new ATOM 0 HB2 PRO A 30 -11.550 -11.400 9.273 1.00 33.13 H new ATOM 0 HB3 PRO A 30 -11.886 -10.205 10.509 1.00 33.13 H new ATOM 0 HG2 PRO A 30 -13.378 -10.757 7.954 1.00 30.03 H new ATOM 0 HG3 PRO A 30 -14.014 -10.349 9.535 1.00 30.03 H new ATOM 0 HD2 PRO A 30 -13.853 -8.484 7.556 1.00 4.25 H new ATOM 0 HD3 PRO A 30 -13.650 -8.039 9.238 1.00 4.25 H new ATOM 464 N LYS A 31 -10.656 -10.295 6.463 1.00 13.31 N ATOM 465 CA LYS A 31 -9.965 -10.938 5.332 1.00 61.03 C ATOM 466 C LYS A 31 -8.819 -10.060 4.790 1.00 20.53 C ATOM 467 O LYS A 31 -7.652 -10.464 4.797 1.00 31.42 O ATOM 468 CB LYS A 31 -10.994 -11.236 4.217 1.00 2.34 C ATOM 469 CG LYS A 31 -10.447 -11.939 2.964 1.00 64.53 C ATOM 470 CD LYS A 31 -11.545 -12.286 1.923 1.00 64.02 C ATOM 471 CE LYS A 31 -12.545 -13.372 2.400 1.00 11.25 C ATOM 472 NZ LYS A 31 -13.529 -12.883 3.417 1.00 25.15 N ATOM 0 H LYS A 31 -11.628 -10.053 6.268 1.00 13.31 H new ATOM 0 HA LYS A 31 -9.517 -11.868 5.681 1.00 61.03 H new ATOM 0 HB2 LYS A 31 -11.788 -11.853 4.638 1.00 2.34 H new ATOM 0 HB3 LYS A 31 -11.451 -10.295 3.911 1.00 2.34 H new ATOM 0 HG2 LYS A 31 -9.700 -11.299 2.494 1.00 64.53 H new ATOM 0 HG3 LYS A 31 -9.938 -12.855 3.263 1.00 64.53 H new ATOM 0 HD2 LYS A 31 -12.098 -11.380 1.678 1.00 64.02 H new ATOM 0 HD3 LYS A 31 -11.066 -12.626 1.004 1.00 64.02 H new ATOM 0 HE2 LYS A 31 -13.089 -13.756 1.537 1.00 11.25 H new ATOM 0 HE3 LYS A 31 -11.986 -14.207 2.822 1.00 11.25 H new ATOM 0 HZ1 LYS A 31 -14.472 -13.263 3.198 1.00 25.15 H new ATOM 0 HZ2 LYS A 31 -13.238 -13.202 4.363 1.00 25.15 H new ATOM 0 HZ3 LYS A 31 -13.561 -11.844 3.397 1.00 25.15 H new ATOM 486 N THR A 32 -9.179 -8.840 4.374 1.00 4.53 N ATOM 487 CA THR A 32 -8.290 -7.948 3.611 1.00 74.44 C ATOM 488 C THR A 32 -7.148 -7.372 4.496 1.00 60.02 C ATOM 489 O THR A 32 -6.046 -7.095 3.998 1.00 41.41 O ATOM 490 CB THR A 32 -9.142 -6.801 2.955 1.00 20.00 C ATOM 491 OG1 THR A 32 -10.332 -7.366 2.369 1.00 22.41 O ATOM 492 CG2 THR A 32 -8.372 -6.040 1.856 1.00 1.45 C ATOM 0 H THR A 32 -10.099 -8.439 4.557 1.00 4.53 H new ATOM 0 HA THR A 32 -7.807 -8.528 2.825 1.00 74.44 H new ATOM 0 HB THR A 32 -9.385 -6.092 3.747 1.00 20.00 H new ATOM 0 HG1 THR A 32 -10.866 -6.653 1.961 1.00 22.41 H new ATOM 0 HG21 THR A 32 -9.009 -5.260 1.439 1.00 1.45 H new ATOM 0 HG22 THR A 32 -7.478 -5.587 2.285 1.00 1.45 H new ATOM 0 HG23 THR A 32 -8.084 -6.734 1.067 1.00 1.45 H new ATOM 500 N ALA A 33 -7.412 -7.233 5.815 1.00 11.32 N ATOM 501 CA ALA A 33 -6.429 -6.705 6.784 1.00 14.43 C ATOM 502 C ALA A 33 -5.493 -7.820 7.296 1.00 55.54 C ATOM 503 O ALA A 33 -4.268 -7.626 7.336 1.00 52.20 O ATOM 504 CB ALA A 33 -7.154 -6.009 7.943 1.00 32.45 C ATOM 0 H ALA A 33 -8.308 -7.483 6.234 1.00 11.32 H new ATOM 0 HA ALA A 33 -5.805 -5.969 6.277 1.00 14.43 H new ATOM 0 HB1 ALA A 33 -6.421 -5.623 8.652 1.00 32.45 H new ATOM 0 HB2 ALA A 33 -7.752 -5.185 7.555 1.00 32.45 H new ATOM 0 HB3 ALA A 33 -7.805 -6.724 8.447 1.00 32.45 H new ATOM 510 N GLU A 34 -6.071 -8.999 7.668 1.00 4.22 N ATOM 511 CA GLU A 34 -5.283 -10.161 8.157 1.00 25.35 C ATOM 512 C GLU A 34 -4.283 -10.640 7.086 1.00 43.52 C ATOM 513 O GLU A 34 -3.175 -11.091 7.410 1.00 31.21 O ATOM 514 CB GLU A 34 -6.216 -11.336 8.545 1.00 5.34 C ATOM 515 CG GLU A 34 -5.525 -12.546 9.203 1.00 42.24 C ATOM 516 CD GLU A 34 -4.980 -12.246 10.610 1.00 25.34 C ATOM 517 OE1 GLU A 34 -3.839 -11.756 10.733 1.00 2.45 O ATOM 518 OE2 GLU A 34 -5.704 -12.488 11.606 1.00 22.33 O ATOM 0 H GLU A 34 -7.077 -9.165 7.637 1.00 4.22 H new ATOM 0 HA GLU A 34 -4.732 -9.833 9.039 1.00 25.35 H new ATOM 0 HB2 GLU A 34 -6.979 -10.961 9.227 1.00 5.34 H new ATOM 0 HB3 GLU A 34 -6.732 -11.678 7.648 1.00 5.34 H new ATOM 0 HG2 GLU A 34 -6.234 -13.371 9.264 1.00 42.24 H new ATOM 0 HG3 GLU A 34 -4.705 -12.877 8.566 1.00 42.24 H new ATOM 525 N ASN A 35 -4.721 -10.527 5.813 1.00 54.30 N ATOM 526 CA ASN A 35 -3.895 -10.771 4.625 1.00 0.40 C ATOM 527 C ASN A 35 -2.560 -10.011 4.725 1.00 41.43 C ATOM 528 O ASN A 35 -1.492 -10.626 4.803 1.00 33.44 O ATOM 529 CB ASN A 35 -4.669 -10.327 3.352 1.00 1.45 C ATOM 530 CG ASN A 35 -3.870 -10.498 2.061 1.00 53.53 C ATOM 531 OD1 ASN A 35 -3.098 -11.433 1.912 1.00 62.41 O ATOM 532 ND2 ASN A 35 -4.035 -9.585 1.129 1.00 24.32 N ATOM 0 H ASN A 35 -5.678 -10.258 5.585 1.00 54.30 H new ATOM 0 HA ASN A 35 -3.677 -11.837 4.562 1.00 0.40 H new ATOM 0 HB2 ASN A 35 -5.591 -10.903 3.278 1.00 1.45 H new ATOM 0 HB3 ASN A 35 -4.955 -9.280 3.457 1.00 1.45 H new ATOM 0 HD21 ASN A 35 -3.512 -9.647 0.256 1.00 24.32 H new ATOM 0 HD22 ASN A 35 -4.686 -8.815 1.279 1.00 24.32 H new ATOM 539 N PHE A 36 -2.668 -8.677 4.815 1.00 23.11 N ATOM 540 CA PHE A 36 -1.516 -7.770 4.840 1.00 32.41 C ATOM 541 C PHE A 36 -0.621 -8.024 6.060 1.00 33.02 C ATOM 542 O PHE A 36 0.602 -8.020 5.930 1.00 72.23 O ATOM 543 CB PHE A 36 -2.001 -6.305 4.835 1.00 4.41 C ATOM 544 CG PHE A 36 -0.881 -5.259 4.801 1.00 21.02 C ATOM 545 CD1 PHE A 36 -0.208 -4.971 3.610 1.00 21.00 C ATOM 546 CD2 PHE A 36 -0.518 -4.547 5.951 1.00 44.40 C ATOM 547 CE1 PHE A 36 0.785 -4.011 3.573 1.00 71.53 C ATOM 548 CE2 PHE A 36 0.476 -3.594 5.911 1.00 54.23 C ATOM 549 CZ PHE A 36 1.125 -3.325 4.723 1.00 44.54 C ATOM 0 H PHE A 36 -3.565 -8.196 4.873 1.00 23.11 H new ATOM 0 HA PHE A 36 -0.921 -7.960 3.947 1.00 32.41 H new ATOM 0 HB2 PHE A 36 -2.647 -6.154 3.970 1.00 4.41 H new ATOM 0 HB3 PHE A 36 -2.611 -6.136 5.722 1.00 4.41 H new ATOM 0 HD1 PHE A 36 -0.467 -5.505 2.708 1.00 21.00 H new ATOM 0 HD2 PHE A 36 -1.025 -4.748 6.883 1.00 44.40 H new ATOM 0 HE1 PHE A 36 1.295 -3.797 2.645 1.00 71.53 H new ATOM 0 HE2 PHE A 36 0.747 -3.058 6.808 1.00 54.23 H new ATOM 0 HZ PHE A 36 1.902 -2.575 4.692 1.00 44.54 H new ATOM 559 N ARG A 37 -1.246 -8.269 7.233 1.00 5.22 N ATOM 560 CA ARG A 37 -0.520 -8.485 8.501 1.00 51.41 C ATOM 561 C ARG A 37 0.368 -9.735 8.418 1.00 24.11 C ATOM 562 O ARG A 37 1.536 -9.708 8.823 1.00 2.02 O ATOM 563 CB ARG A 37 -1.508 -8.601 9.695 1.00 21.23 C ATOM 564 CG ARG A 37 -0.811 -8.689 11.073 1.00 73.43 C ATOM 565 CD ARG A 37 -1.758 -8.453 12.260 1.00 14.22 C ATOM 566 NE ARG A 37 -2.784 -9.498 12.401 1.00 15.12 N ATOM 567 CZ ARG A 37 -3.320 -9.904 13.567 1.00 3.40 C ATOM 568 NH1 ARG A 37 -2.947 -9.357 14.727 1.00 40.04 N ATOM 569 NH2 ARG A 37 -4.228 -10.864 13.569 1.00 73.33 N ATOM 0 H ARG A 37 -2.260 -8.322 7.326 1.00 5.22 H new ATOM 0 HA ARG A 37 0.120 -7.619 8.669 1.00 51.41 H new ATOM 0 HB2 ARG A 37 -2.174 -7.738 9.689 1.00 21.23 H new ATOM 0 HB3 ARG A 37 -2.130 -9.485 9.555 1.00 21.23 H new ATOM 0 HG2 ARG A 37 -0.352 -9.672 11.176 1.00 73.43 H new ATOM 0 HG3 ARG A 37 -0.006 -7.955 11.111 1.00 73.43 H new ATOM 0 HD2 ARG A 37 -1.173 -8.401 13.178 1.00 14.22 H new ATOM 0 HD3 ARG A 37 -2.247 -7.487 12.139 1.00 14.22 H new ATOM 0 HE ARG A 37 -3.115 -9.950 11.549 1.00 15.12 H new ATOM 0 HH11 ARG A 37 -2.244 -8.618 14.740 1.00 40.04 H new ATOM 0 HH12 ARG A 37 -3.365 -9.678 15.600 1.00 40.04 H new ATOM 0 HH21 ARG A 37 -4.519 -11.293 12.690 1.00 73.33 H new ATOM 0 HH22 ARG A 37 -4.638 -11.176 14.449 1.00 73.33 H new ATOM 583 N ALA A 38 -0.196 -10.802 7.833 1.00 24.43 N ATOM 584 CA ALA A 38 0.493 -12.089 7.654 1.00 34.41 C ATOM 585 C ALA A 38 1.635 -11.981 6.619 1.00 21.10 C ATOM 586 O ALA A 38 2.641 -12.700 6.711 1.00 62.11 O ATOM 587 CB ALA A 38 -0.519 -13.155 7.236 1.00 24.51 C ATOM 0 H ALA A 38 -1.149 -10.796 7.469 1.00 24.43 H new ATOM 0 HA ALA A 38 0.945 -12.375 8.604 1.00 34.41 H new ATOM 0 HB1 ALA A 38 -0.009 -14.109 7.103 1.00 24.51 H new ATOM 0 HB2 ALA A 38 -1.281 -13.256 8.008 1.00 24.51 H new ATOM 0 HB3 ALA A 38 -0.990 -12.862 6.298 1.00 24.51 H new ATOM 593 N LEU A 39 1.453 -11.081 5.632 1.00 41.32 N ATOM 594 CA LEU A 39 2.478 -10.763 4.617 1.00 43.35 C ATOM 595 C LEU A 39 3.633 -9.935 5.236 1.00 43.11 C ATOM 596 O LEU A 39 4.803 -10.135 4.887 1.00 70.52 O ATOM 597 CB LEU A 39 1.832 -9.980 3.435 1.00 13.32 C ATOM 598 CG LEU A 39 0.724 -10.728 2.622 1.00 3.31 C ATOM 599 CD1 LEU A 39 0.126 -9.822 1.522 1.00 14.42 C ATOM 600 CD2 LEU A 39 1.237 -12.055 2.036 1.00 74.23 C ATOM 0 H LEU A 39 0.588 -10.552 5.516 1.00 41.32 H new ATOM 0 HA LEU A 39 2.892 -11.699 4.243 1.00 43.35 H new ATOM 0 HB2 LEU A 39 1.402 -9.060 3.831 1.00 13.32 H new ATOM 0 HB3 LEU A 39 2.624 -9.690 2.745 1.00 13.32 H new ATOM 0 HG LEU A 39 -0.075 -10.974 3.321 1.00 3.31 H new ATOM 0 HD11 LEU A 39 -0.641 -10.371 0.975 1.00 14.42 H new ATOM 0 HD12 LEU A 39 -0.318 -8.938 1.980 1.00 14.42 H new ATOM 0 HD13 LEU A 39 0.914 -9.517 0.834 1.00 14.42 H new ATOM 0 HD21 LEU A 39 0.436 -12.541 1.480 1.00 74.23 H new ATOM 0 HD22 LEU A 39 2.075 -11.858 1.367 1.00 74.23 H new ATOM 0 HD23 LEU A 39 1.564 -12.708 2.845 1.00 74.23 H new ATOM 612 N SER A 40 3.273 -9.025 6.168 1.00 22.41 N ATOM 613 CA SER A 40 4.212 -8.085 6.818 1.00 30.01 C ATOM 614 C SER A 40 5.181 -8.825 7.762 1.00 41.22 C ATOM 615 O SER A 40 6.395 -8.572 7.758 1.00 74.43 O ATOM 616 CB SER A 40 3.418 -7.018 7.616 1.00 33.12 C ATOM 617 OG SER A 40 2.545 -6.275 6.777 1.00 65.34 O ATOM 0 H SER A 40 2.312 -8.922 6.493 1.00 22.41 H new ATOM 0 HA SER A 40 4.800 -7.600 6.039 1.00 30.01 H new ATOM 0 HB2 SER A 40 2.840 -7.506 8.401 1.00 33.12 H new ATOM 0 HB3 SER A 40 4.114 -6.339 8.108 1.00 33.12 H new ATOM 0 HG SER A 40 1.822 -6.856 6.460 1.00 65.34 H new ATOM 623 N THR A 41 4.612 -9.726 8.581 1.00 22.54 N ATOM 624 CA THR A 41 5.364 -10.558 9.535 1.00 1.25 C ATOM 625 C THR A 41 6.021 -11.759 8.832 1.00 40.30 C ATOM 626 O THR A 41 7.080 -12.241 9.258 1.00 21.10 O ATOM 627 CB THR A 41 4.417 -11.059 10.671 1.00 23.21 C ATOM 628 OG1 THR A 41 3.240 -11.642 10.086 1.00 24.25 O ATOM 629 CG2 THR A 41 4.012 -9.912 11.615 1.00 33.44 C ATOM 0 H THR A 41 3.607 -9.899 8.599 1.00 22.54 H new ATOM 0 HA THR A 41 6.154 -9.944 9.967 1.00 1.25 H new ATOM 0 HB THR A 41 4.953 -11.804 11.259 1.00 23.21 H new ATOM 0 HG1 THR A 41 2.630 -10.930 9.800 1.00 24.25 H new ATOM 0 HG21 THR A 41 3.353 -10.297 12.393 1.00 33.44 H new ATOM 0 HG22 THR A 41 4.904 -9.486 12.073 1.00 33.44 H new ATOM 0 HG23 THR A 41 3.491 -9.140 11.048 1.00 33.44 H new ATOM 637 N GLY A 42 5.374 -12.231 7.750 1.00 40.22 N ATOM 638 CA GLY A 42 5.872 -13.357 6.967 1.00 64.15 C ATOM 639 C GLY A 42 5.498 -14.702 7.558 1.00 23.52 C ATOM 640 O GLY A 42 6.211 -15.693 7.350 1.00 65.52 O ATOM 0 H GLY A 42 4.498 -11.840 7.403 1.00 40.22 H new ATOM 0 HA2 GLY A 42 5.478 -13.290 5.953 1.00 64.15 H new ATOM 0 HA3 GLY A 42 6.957 -13.288 6.892 1.00 64.15 H new ATOM 644 N GLU A 43 4.358 -14.741 8.269 1.00 25.14 N ATOM 645 CA GLU A 43 3.816 -15.982 8.858 1.00 12.41 C ATOM 646 C GLU A 43 3.429 -17.001 7.774 1.00 73.43 C ATOM 647 O GLU A 43 3.377 -18.209 8.033 1.00 24.01 O ATOM 648 CB GLU A 43 2.597 -15.668 9.769 1.00 62.43 C ATOM 649 CG GLU A 43 2.920 -14.758 10.971 1.00 71.00 C ATOM 650 CD GLU A 43 4.106 -15.260 11.819 1.00 62.03 C ATOM 651 OE1 GLU A 43 3.973 -16.313 12.480 1.00 73.04 O ATOM 652 OE2 GLU A 43 5.179 -14.611 11.823 1.00 5.05 O ATOM 0 H GLU A 43 3.786 -13.917 8.452 1.00 25.14 H new ATOM 0 HA GLU A 43 4.603 -16.428 9.467 1.00 12.41 H new ATOM 0 HB2 GLU A 43 1.822 -15.194 9.167 1.00 62.43 H new ATOM 0 HB3 GLU A 43 2.184 -16.606 10.139 1.00 62.43 H new ATOM 0 HG2 GLU A 43 3.142 -13.754 10.608 1.00 71.00 H new ATOM 0 HG3 GLU A 43 2.037 -14.680 11.605 1.00 71.00 H new ATOM 659 N LYS A 44 3.174 -16.492 6.559 1.00 41.02 N ATOM 660 CA LYS A 44 2.781 -17.310 5.401 1.00 73.53 C ATOM 661 C LYS A 44 3.970 -17.587 4.460 1.00 41.15 C ATOM 662 O LYS A 44 3.767 -17.923 3.288 1.00 73.12 O ATOM 663 CB LYS A 44 1.621 -16.595 4.656 1.00 30.22 C ATOM 664 CG LYS A 44 0.407 -16.264 5.557 1.00 11.11 C ATOM 665 CD LYS A 44 -0.189 -17.488 6.288 1.00 43.54 C ATOM 666 CE LYS A 44 -0.696 -18.576 5.330 1.00 53.31 C ATOM 667 NZ LYS A 44 -1.221 -19.754 6.065 1.00 10.12 N ATOM 0 H LYS A 44 3.235 -15.495 6.351 1.00 41.02 H new ATOM 0 HA LYS A 44 2.442 -18.284 5.754 1.00 73.53 H new ATOM 0 HB2 LYS A 44 1.998 -15.671 4.218 1.00 30.22 H new ATOM 0 HB3 LYS A 44 1.288 -17.226 3.832 1.00 30.22 H new ATOM 0 HG2 LYS A 44 0.709 -15.524 6.298 1.00 11.11 H new ATOM 0 HG3 LYS A 44 -0.371 -15.805 4.946 1.00 11.11 H new ATOM 0 HD2 LYS A 44 0.569 -17.915 6.945 1.00 43.54 H new ATOM 0 HD3 LYS A 44 -1.012 -17.159 6.922 1.00 43.54 H new ATOM 0 HE2 LYS A 44 -1.480 -18.165 4.694 1.00 53.31 H new ATOM 0 HE3 LYS A 44 0.115 -18.889 4.673 1.00 53.31 H new ATOM 0 HZ1 LYS A 44 -1.554 -20.467 5.385 1.00 10.12 H new ATOM 0 HZ2 LYS A 44 -0.466 -20.162 6.652 1.00 10.12 H new ATOM 0 HZ3 LYS A 44 -2.012 -19.460 6.673 1.00 10.12 H new ATOM 681 N GLY A 45 5.211 -17.438 4.983 1.00 34.14 N ATOM 682 CA GLY A 45 6.432 -17.805 4.254 1.00 10.31 C ATOM 683 C GLY A 45 6.909 -16.767 3.243 1.00 63.12 C ATOM 684 O GLY A 45 8.089 -16.770 2.870 1.00 44.14 O ATOM 0 H GLY A 45 5.385 -17.062 5.915 1.00 34.14 H new ATOM 0 HA2 GLY A 45 7.230 -17.983 4.975 1.00 10.31 H new ATOM 0 HA3 GLY A 45 6.258 -18.746 3.733 1.00 10.31 H new ATOM 688 N PHE A 46 5.994 -15.889 2.785 1.00 43.22 N ATOM 689 CA PHE A 46 6.271 -14.917 1.719 1.00 63.13 C ATOM 690 C PHE A 46 7.238 -13.829 2.214 1.00 63.51 C ATOM 691 O PHE A 46 8.194 -13.488 1.513 1.00 42.35 O ATOM 692 CB PHE A 46 4.943 -14.306 1.204 1.00 41.30 C ATOM 693 CG PHE A 46 3.914 -15.347 0.740 1.00 61.11 C ATOM 694 CD1 PHE A 46 4.303 -16.445 -0.026 1.00 51.13 C ATOM 695 CD2 PHE A 46 2.566 -15.223 1.064 1.00 61.43 C ATOM 696 CE1 PHE A 46 3.383 -17.381 -0.450 1.00 50.13 C ATOM 697 CE2 PHE A 46 1.646 -16.162 0.640 1.00 44.14 C ATOM 698 CZ PHE A 46 2.056 -17.239 -0.117 1.00 1.04 C ATOM 0 H PHE A 46 5.042 -15.837 3.147 1.00 43.22 H new ATOM 0 HA PHE A 46 6.755 -15.429 0.887 1.00 63.13 H new ATOM 0 HB2 PHE A 46 4.501 -13.702 1.997 1.00 41.30 H new ATOM 0 HB3 PHE A 46 5.162 -13.633 0.375 1.00 41.30 H new ATOM 0 HD1 PHE A 46 5.343 -16.565 -0.292 1.00 51.13 H new ATOM 0 HD2 PHE A 46 2.235 -14.382 1.655 1.00 61.43 H new ATOM 0 HE1 PHE A 46 3.704 -18.225 -1.043 1.00 50.13 H new ATOM 0 HE2 PHE A 46 0.604 -16.052 0.902 1.00 44.14 H new ATOM 0 HZ PHE A 46 1.335 -17.971 -0.449 1.00 1.04 H new ATOM 708 N GLY A 47 6.967 -13.306 3.437 1.00 74.34 N ATOM 709 CA GLY A 47 7.915 -12.448 4.155 1.00 55.03 C ATOM 710 C GLY A 47 8.323 -11.204 3.387 1.00 64.34 C ATOM 711 O GLY A 47 9.473 -11.121 2.951 1.00 4.40 O ATOM 0 H GLY A 47 6.094 -13.470 3.939 1.00 74.34 H new ATOM 0 HA2 GLY A 47 7.471 -12.148 5.104 1.00 55.03 H new ATOM 0 HA3 GLY A 47 8.808 -13.027 4.390 1.00 55.03 H new ATOM 715 N TYR A 48 7.367 -10.281 3.157 1.00 51.31 N ATOM 716 CA TYR A 48 7.605 -9.062 2.360 1.00 21.21 C ATOM 717 C TYR A 48 8.604 -8.115 3.059 1.00 61.21 C ATOM 718 O TYR A 48 8.245 -7.202 3.809 1.00 22.11 O ATOM 719 CB TYR A 48 6.248 -8.387 2.041 1.00 34.20 C ATOM 720 CG TYR A 48 5.480 -9.134 0.949 1.00 65.34 C ATOM 721 CD1 TYR A 48 4.709 -10.255 1.240 1.00 53.02 C ATOM 722 CD2 TYR A 48 5.596 -8.765 -0.391 1.00 22.14 C ATOM 723 CE1 TYR A 48 4.072 -10.957 0.243 1.00 0.50 C ATOM 724 CE2 TYR A 48 4.964 -9.475 -1.383 1.00 23.54 C ATOM 725 CZ TYR A 48 4.208 -10.565 -1.063 1.00 51.30 C ATOM 726 OH TYR A 48 3.586 -11.273 -2.055 1.00 65.24 O ATOM 0 H TYR A 48 6.415 -10.359 3.516 1.00 51.31 H new ATOM 0 HA TYR A 48 8.074 -9.330 1.414 1.00 21.21 H new ATOM 0 HB2 TYR A 48 5.642 -8.345 2.946 1.00 34.20 H new ATOM 0 HB3 TYR A 48 6.420 -7.358 1.724 1.00 34.20 H new ATOM 0 HD1 TYR A 48 4.609 -10.579 2.265 1.00 53.02 H new ATOM 0 HD2 TYR A 48 6.194 -7.905 -0.654 1.00 22.14 H new ATOM 0 HE1 TYR A 48 3.465 -11.816 0.489 1.00 0.50 H new ATOM 0 HE2 TYR A 48 5.065 -9.171 -2.414 1.00 23.54 H new ATOM 0 HH TYR A 48 2.635 -11.372 -1.840 1.00 65.24 H new ATOM 736 N LYS A 49 9.874 -8.418 2.789 1.00 14.24 N ATOM 737 CA LYS A 49 11.049 -7.720 3.277 1.00 14.11 C ATOM 738 C LYS A 49 11.736 -7.054 2.078 1.00 1.32 C ATOM 739 O LYS A 49 12.275 -7.759 1.221 1.00 32.14 O ATOM 740 CB LYS A 49 11.971 -8.772 3.949 1.00 2.43 C ATOM 741 CG LYS A 49 13.259 -8.220 4.575 1.00 71.23 C ATOM 742 CD LYS A 49 12.987 -7.310 5.790 1.00 52.13 C ATOM 743 CE LYS A 49 14.282 -6.912 6.501 1.00 73.14 C ATOM 744 NZ LYS A 49 15.232 -6.209 5.604 1.00 63.55 N ATOM 0 H LYS A 49 10.117 -9.205 2.187 1.00 14.24 H new ATOM 0 HA LYS A 49 10.802 -6.948 4.006 1.00 14.11 H new ATOM 0 HB2 LYS A 49 11.402 -9.285 4.724 1.00 2.43 H new ATOM 0 HB3 LYS A 49 12.242 -9.520 3.204 1.00 2.43 H new ATOM 0 HG2 LYS A 49 13.893 -9.051 4.883 1.00 71.23 H new ATOM 0 HG3 LYS A 49 13.812 -7.659 3.822 1.00 71.23 H new ATOM 0 HD2 LYS A 49 12.461 -6.413 5.462 1.00 52.13 H new ATOM 0 HD3 LYS A 49 12.331 -7.826 6.491 1.00 52.13 H new ATOM 0 HE2 LYS A 49 14.044 -6.269 7.348 1.00 73.14 H new ATOM 0 HE3 LYS A 49 14.761 -7.805 6.903 1.00 73.14 H new ATOM 0 HZ1 LYS A 49 16.141 -6.082 6.092 1.00 63.55 H new ATOM 0 HZ2 LYS A 49 15.378 -6.773 4.742 1.00 63.55 H new ATOM 0 HZ3 LYS A 49 14.844 -5.279 5.348 1.00 63.55 H new ATOM 758 N GLY A 50 11.680 -5.721 1.982 1.00 12.31 N ATOM 759 CA GLY A 50 12.306 -5.010 0.860 1.00 35.25 C ATOM 760 C GLY A 50 11.387 -4.821 -0.330 1.00 73.33 C ATOM 761 O GLY A 50 11.869 -4.588 -1.444 1.00 61.43 O ATOM 0 H GLY A 50 11.213 -5.118 2.659 1.00 12.31 H new ATOM 0 HA2 GLY A 50 12.646 -4.033 1.204 1.00 35.25 H new ATOM 0 HA3 GLY A 50 13.191 -5.561 0.541 1.00 35.25 H new ATOM 765 N SER A 51 10.063 -4.924 -0.102 1.00 43.33 N ATOM 766 CA SER A 51 9.047 -4.645 -1.127 1.00 14.23 C ATOM 767 C SER A 51 9.158 -3.177 -1.577 1.00 23.03 C ATOM 768 O SER A 51 8.998 -2.252 -0.762 1.00 5.42 O ATOM 769 CB SER A 51 7.656 -4.961 -0.567 1.00 70.14 C ATOM 770 OG SER A 51 7.613 -6.290 -0.092 1.00 44.22 O ATOM 0 H SER A 51 9.672 -5.203 0.798 1.00 43.33 H new ATOM 0 HA SER A 51 9.211 -5.277 -2.000 1.00 14.23 H new ATOM 0 HB2 SER A 51 7.416 -4.270 0.241 1.00 70.14 H new ATOM 0 HB3 SER A 51 6.903 -4.819 -1.342 1.00 70.14 H new ATOM 0 HG SER A 51 8.163 -6.861 -0.668 1.00 44.22 H new ATOM 776 N CYS A 52 9.485 -2.979 -2.862 1.00 71.31 N ATOM 777 CA CYS A 52 9.926 -1.683 -3.390 1.00 44.53 C ATOM 778 C CYS A 52 8.807 -0.956 -4.154 1.00 34.15 C ATOM 779 O CYS A 52 8.142 -1.528 -5.026 1.00 52.42 O ATOM 780 CB CYS A 52 11.166 -1.892 -4.289 1.00 12.24 C ATOM 781 SG CYS A 52 10.927 -3.085 -5.622 1.00 15.11 S ATOM 0 H CYS A 52 9.450 -3.717 -3.566 1.00 71.31 H new ATOM 0 HA CYS A 52 10.191 -1.044 -2.548 1.00 44.53 H new ATOM 0 HB2 CYS A 52 11.451 -0.933 -4.722 1.00 12.24 H new ATOM 0 HB3 CYS A 52 11.999 -2.221 -3.668 1.00 12.24 H new ATOM 0 HG CYS A 52 12.022 -3.185 -6.316 1.00 15.11 H new ATOM 787 N PHE A 53 8.599 0.311 -3.774 1.00 23.13 N ATOM 788 CA PHE A 53 7.755 1.267 -4.486 1.00 72.20 C ATOM 789 C PHE A 53 8.307 1.497 -5.900 1.00 64.50 C ATOM 790 O PHE A 53 9.397 2.061 -6.074 1.00 74.44 O ATOM 791 CB PHE A 53 7.645 2.587 -3.682 1.00 14.44 C ATOM 792 CG PHE A 53 6.960 2.422 -2.321 1.00 52.44 C ATOM 793 CD1 PHE A 53 7.665 1.938 -1.214 1.00 24.43 C ATOM 794 CD2 PHE A 53 5.609 2.734 -2.154 1.00 62.01 C ATOM 795 CE1 PHE A 53 7.043 1.772 0.007 1.00 0.42 C ATOM 796 CE2 PHE A 53 4.988 2.570 -0.932 1.00 3.54 C ATOM 797 CZ PHE A 53 5.706 2.088 0.148 1.00 44.45 C ATOM 0 H PHE A 53 9.028 0.707 -2.937 1.00 23.13 H new ATOM 0 HA PHE A 53 6.747 0.863 -4.585 1.00 72.20 H new ATOM 0 HB2 PHE A 53 8.645 2.994 -3.529 1.00 14.44 H new ATOM 0 HB3 PHE A 53 7.091 3.317 -4.272 1.00 14.44 H new ATOM 0 HD1 PHE A 53 8.711 1.691 -1.316 1.00 24.43 H new ATOM 0 HD2 PHE A 53 5.042 3.109 -2.993 1.00 62.01 H new ATOM 0 HE1 PHE A 53 7.601 1.395 0.851 1.00 0.42 H new ATOM 0 HE2 PHE A 53 3.943 2.818 -0.819 1.00 3.54 H new ATOM 0 HZ PHE A 53 5.220 1.959 1.104 1.00 44.45 H new ATOM 807 N HIS A 54 7.561 0.988 -6.891 1.00 72.13 N ATOM 808 CA HIS A 54 7.955 1.013 -8.312 1.00 1.32 C ATOM 809 C HIS A 54 6.875 1.695 -9.171 1.00 22.42 C ATOM 810 O HIS A 54 7.007 1.756 -10.393 1.00 41.25 O ATOM 811 CB HIS A 54 8.249 -0.433 -8.811 1.00 1.41 C ATOM 812 CG HIS A 54 7.086 -1.403 -8.708 1.00 40.41 C ATOM 813 ND1 HIS A 54 6.909 -2.257 -7.637 1.00 11.43 N ATOM 814 CD2 HIS A 54 6.067 -1.678 -9.568 1.00 71.02 C ATOM 815 CE1 HIS A 54 5.846 -3.010 -7.846 1.00 3.23 C ATOM 816 NE2 HIS A 54 5.320 -2.677 -9.005 1.00 62.20 N ATOM 0 H HIS A 54 6.658 0.542 -6.730 1.00 72.13 H new ATOM 0 HA HIS A 54 8.868 1.601 -8.412 1.00 1.32 H new ATOM 0 HB2 HIS A 54 8.568 -0.383 -9.852 1.00 1.41 H new ATOM 0 HB3 HIS A 54 9.087 -0.834 -8.240 1.00 1.41 H new ATOM 0 HD1 HIS A 54 7.508 -2.299 -6.812 1.00 11.43 H new ATOM 0 HD2 HIS A 54 5.883 -1.197 -10.517 1.00 71.02 H new ATOM 0 HE1 HIS A 54 5.471 -3.771 -7.178 1.00 3.23 H new ATOM 825 N ARG A 55 5.805 2.191 -8.520 1.00 63.44 N ATOM 826 CA ARG A 55 4.729 2.922 -9.200 1.00 35.12 C ATOM 827 C ARG A 55 4.229 4.028 -8.264 1.00 52.44 C ATOM 828 O ARG A 55 3.397 3.788 -7.407 1.00 32.35 O ATOM 829 CB ARG A 55 3.573 1.939 -9.573 1.00 12.32 C ATOM 830 CG ARG A 55 2.453 2.556 -10.450 1.00 51.42 C ATOM 831 CD ARG A 55 1.259 1.598 -10.643 1.00 64.32 C ATOM 832 NE ARG A 55 0.264 2.093 -11.617 1.00 73.11 N ATOM 833 CZ ARG A 55 -0.963 2.573 -11.332 1.00 12.24 C ATOM 834 NH1 ARG A 55 -1.397 2.672 -10.077 1.00 41.23 N ATOM 835 NH2 ARG A 55 -1.781 2.886 -12.325 1.00 40.44 N ATOM 0 H ARG A 55 5.667 2.095 -7.514 1.00 63.44 H new ATOM 0 HA ARG A 55 5.097 3.370 -10.123 1.00 35.12 H new ATOM 0 HB2 ARG A 55 3.998 1.084 -10.099 1.00 12.32 H new ATOM 0 HB3 ARG A 55 3.127 1.559 -8.654 1.00 12.32 H new ATOM 0 HG2 ARG A 55 2.103 3.480 -9.990 1.00 51.42 H new ATOM 0 HG3 ARG A 55 2.863 2.821 -11.424 1.00 51.42 H new ATOM 0 HD2 ARG A 55 1.630 0.628 -10.974 1.00 64.32 H new ATOM 0 HD3 ARG A 55 0.769 1.441 -9.682 1.00 64.32 H new ATOM 0 HE ARG A 55 0.532 2.069 -12.601 1.00 73.11 H new ATOM 0 HH11 ARG A 55 -0.797 2.381 -9.305 1.00 41.23 H new ATOM 0 HH12 ARG A 55 -2.330 3.039 -9.887 1.00 41.23 H new ATOM 0 HH21 ARG A 55 -1.480 2.763 -13.292 1.00 40.44 H new ATOM 0 HH22 ARG A 55 -2.712 3.250 -12.123 1.00 40.44 H new ATOM 849 N ILE A 56 4.748 5.246 -8.417 1.00 5.32 N ATOM 850 CA ILE A 56 4.323 6.402 -7.595 1.00 23.01 C ATOM 851 C ILE A 56 4.008 7.570 -8.522 1.00 63.04 C ATOM 852 O ILE A 56 4.788 7.850 -9.436 1.00 41.22 O ATOM 853 CB ILE A 56 5.423 6.844 -6.549 1.00 54.24 C ATOM 854 CG1 ILE A 56 5.790 5.681 -5.573 1.00 71.30 C ATOM 855 CG2 ILE A 56 4.961 8.096 -5.756 1.00 51.33 C ATOM 856 CD1 ILE A 56 6.805 6.051 -4.498 1.00 3.10 C ATOM 0 H ILE A 56 5.468 5.468 -9.104 1.00 5.32 H new ATOM 0 HA ILE A 56 3.443 6.101 -7.026 1.00 23.01 H new ATOM 0 HB ILE A 56 6.321 7.102 -7.110 1.00 54.24 H new ATOM 0 HG12 ILE A 56 4.879 5.330 -5.088 1.00 71.30 H new ATOM 0 HG13 ILE A 56 6.184 4.847 -6.154 1.00 71.30 H new ATOM 0 HG21 ILE A 56 5.734 8.381 -5.043 1.00 51.33 H new ATOM 0 HG22 ILE A 56 4.784 8.920 -6.447 1.00 51.33 H new ATOM 0 HG23 ILE A 56 4.040 7.868 -5.220 1.00 51.33 H new ATOM 0 HD11 ILE A 56 6.999 5.184 -3.867 1.00 3.10 H new ATOM 0 HD12 ILE A 56 7.734 6.372 -4.970 1.00 3.10 H new ATOM 0 HD13 ILE A 56 6.409 6.862 -3.887 1.00 3.10 H new ATOM 868 N ILE A 57 2.864 8.237 -8.287 1.00 4.13 N ATOM 869 CA ILE A 57 2.434 9.406 -9.058 1.00 64.54 C ATOM 870 C ILE A 57 2.127 10.575 -8.078 1.00 53.40 C ATOM 871 O ILE A 57 1.254 10.428 -7.198 1.00 34.41 O ATOM 872 CB ILE A 57 1.200 9.065 -9.981 1.00 32.43 C ATOM 873 CG1 ILE A 57 1.613 7.955 -11.019 1.00 20.31 C ATOM 874 CG2 ILE A 57 0.657 10.334 -10.690 1.00 20.30 C ATOM 875 CD1 ILE A 57 0.537 7.498 -11.983 1.00 5.24 C ATOM 0 H ILE A 57 2.210 7.974 -7.550 1.00 4.13 H new ATOM 0 HA ILE A 57 3.237 9.714 -9.727 1.00 64.54 H new ATOM 0 HB ILE A 57 0.390 8.681 -9.361 1.00 32.43 H new ATOM 0 HG12 ILE A 57 2.456 8.328 -11.600 1.00 20.31 H new ATOM 0 HG13 ILE A 57 1.967 7.085 -10.466 1.00 20.31 H new ATOM 0 HG21 ILE A 57 -0.192 10.065 -11.318 1.00 20.30 H new ATOM 0 HG22 ILE A 57 0.339 11.061 -9.942 1.00 20.30 H new ATOM 0 HG23 ILE A 57 1.442 10.769 -11.309 1.00 20.30 H new ATOM 0 HD11 ILE A 57 0.943 6.734 -12.646 1.00 5.24 H new ATOM 0 HD12 ILE A 57 -0.302 7.085 -11.423 1.00 5.24 H new ATOM 0 HD13 ILE A 57 0.195 8.347 -12.575 1.00 5.24 H new ATOM 887 N PRO A 58 2.879 11.734 -8.196 1.00 63.01 N ATOM 888 CA PRO A 58 2.726 12.923 -7.309 1.00 61.42 C ATOM 889 C PRO A 58 1.303 13.515 -7.303 1.00 32.33 C ATOM 890 O PRO A 58 0.636 13.574 -8.355 1.00 74.33 O ATOM 891 CB PRO A 58 3.750 13.948 -7.879 1.00 40.31 C ATOM 892 CG PRO A 58 4.755 13.109 -8.601 1.00 71.24 C ATOM 893 CD PRO A 58 3.963 11.967 -9.196 1.00 45.41 C ATOM 0 HA PRO A 58 2.903 12.656 -6.267 1.00 61.42 H new ATOM 0 HB2 PRO A 58 3.269 14.658 -8.552 1.00 40.31 H new ATOM 0 HB3 PRO A 58 4.216 14.529 -7.083 1.00 40.31 H new ATOM 0 HG2 PRO A 58 5.263 13.683 -9.377 1.00 71.24 H new ATOM 0 HG3 PRO A 58 5.524 12.743 -7.921 1.00 71.24 H new ATOM 0 HD2 PRO A 58 3.557 12.227 -10.174 1.00 45.41 H new ATOM 0 HD3 PRO A 58 4.580 11.079 -9.333 1.00 45.41 H new ATOM 901 N GLY A 59 0.866 13.957 -6.107 1.00 15.44 N ATOM 902 CA GLY A 59 -0.459 14.531 -5.918 1.00 21.11 C ATOM 903 C GLY A 59 -1.577 13.507 -6.089 1.00 25.22 C ATOM 904 O GLY A 59 -2.677 13.847 -6.540 1.00 50.30 O ATOM 0 H GLY A 59 1.427 13.922 -5.256 1.00 15.44 H new ATOM 0 HA2 GLY A 59 -0.522 14.968 -4.921 1.00 21.11 H new ATOM 0 HA3 GLY A 59 -0.604 15.342 -6.631 1.00 21.11 H new ATOM 908 N PHE A 60 -1.283 12.249 -5.736 1.00 31.43 N ATOM 909 CA PHE A 60 -2.213 11.126 -5.876 1.00 25.33 C ATOM 910 C PHE A 60 -1.901 10.035 -4.826 1.00 41.43 C ATOM 911 O PHE A 60 -2.651 9.881 -3.846 1.00 51.55 O ATOM 912 CB PHE A 60 -2.141 10.558 -7.328 1.00 54.45 C ATOM 913 CG PHE A 60 -3.014 9.327 -7.575 1.00 65.30 C ATOM 914 CD1 PHE A 60 -4.395 9.390 -7.417 1.00 53.51 C ATOM 915 CD2 PHE A 60 -2.455 8.107 -7.956 1.00 22.25 C ATOM 916 CE1 PHE A 60 -5.186 8.277 -7.629 1.00 14.25 C ATOM 917 CE2 PHE A 60 -3.248 6.997 -8.169 1.00 3.23 C ATOM 918 CZ PHE A 60 -4.612 7.081 -8.003 1.00 3.11 C ATOM 0 H PHE A 60 -0.382 11.982 -5.341 1.00 31.43 H new ATOM 0 HA PHE A 60 -3.230 11.475 -5.697 1.00 25.33 H new ATOM 0 HB2 PHE A 60 -2.436 11.342 -8.026 1.00 54.45 H new ATOM 0 HB3 PHE A 60 -1.105 10.304 -7.553 1.00 54.45 H new ATOM 0 HD1 PHE A 60 -4.855 10.322 -7.124 1.00 53.51 H new ATOM 0 HD2 PHE A 60 -1.386 8.030 -8.086 1.00 22.25 H new ATOM 0 HE1 PHE A 60 -6.256 8.344 -7.501 1.00 14.25 H new ATOM 0 HE2 PHE A 60 -2.798 6.062 -8.466 1.00 3.23 H new ATOM 0 HZ PHE A 60 -5.231 6.211 -8.166 1.00 3.11 H new ATOM 928 N MET A 61 -0.768 9.312 -5.002 1.00 74.25 N ATOM 929 CA MET A 61 -0.549 8.028 -4.289 1.00 75.14 C ATOM 930 C MET A 61 0.893 7.503 -4.451 1.00 13.32 C ATOM 931 O MET A 61 1.538 7.732 -5.484 1.00 22.32 O ATOM 932 CB MET A 61 -1.547 6.985 -4.867 1.00 51.54 C ATOM 933 CG MET A 61 -1.472 5.562 -4.319 1.00 0.02 C ATOM 934 SD MET A 61 -2.297 4.394 -5.419 1.00 32.25 S ATOM 935 CE MET A 61 -1.248 4.458 -6.876 1.00 42.53 C ATOM 0 H MET A 61 -0.004 9.588 -5.619 1.00 74.25 H new ATOM 0 HA MET A 61 -0.711 8.191 -3.223 1.00 75.14 H new ATOM 0 HB2 MET A 61 -2.558 7.357 -4.700 1.00 51.54 H new ATOM 0 HB3 MET A 61 -1.399 6.939 -5.946 1.00 51.54 H new ATOM 0 HG2 MET A 61 -0.429 5.272 -4.194 1.00 0.02 H new ATOM 0 HG3 MET A 61 -1.934 5.525 -3.332 1.00 0.02 H new ATOM 0 HE1 MET A 61 -1.496 3.630 -7.540 1.00 42.53 H new ATOM 0 HE2 MET A 61 -1.407 5.402 -7.398 1.00 42.53 H new ATOM 0 HE3 MET A 61 -0.203 4.382 -6.576 1.00 42.53 H new ATOM 945 N CYS A 62 1.366 6.770 -3.420 1.00 54.22 N ATOM 946 CA CYS A 62 2.609 5.979 -3.478 1.00 73.02 C ATOM 947 C CYS A 62 2.262 4.475 -3.503 1.00 23.43 C ATOM 948 O CYS A 62 1.768 3.948 -2.511 1.00 41.23 O ATOM 949 CB CYS A 62 3.475 6.288 -2.235 1.00 52.31 C ATOM 950 SG CYS A 62 3.754 8.041 -1.945 1.00 45.50 S ATOM 0 H CYS A 62 0.891 6.712 -2.519 1.00 54.22 H new ATOM 0 HA CYS A 62 3.163 6.239 -4.380 1.00 73.02 H new ATOM 0 HB2 CYS A 62 2.995 5.858 -1.356 1.00 52.31 H new ATOM 0 HB3 CYS A 62 4.439 5.792 -2.346 1.00 52.31 H new ATOM 0 HG CYS A 62 4.211 8.214 -0.740 1.00 45.50 H new ATOM 956 N GLN A 63 2.526 3.783 -4.626 1.00 63.34 N ATOM 957 CA GLN A 63 2.236 2.332 -4.766 1.00 12.55 C ATOM 958 C GLN A 63 3.542 1.542 -4.869 1.00 14.44 C ATOM 959 O GLN A 63 4.477 1.916 -5.606 1.00 1.21 O ATOM 960 CB GLN A 63 1.330 2.057 -6.000 1.00 42.41 C ATOM 961 CG GLN A 63 1.001 0.569 -6.265 1.00 61.13 C ATOM 962 CD GLN A 63 0.008 0.364 -7.413 1.00 14.23 C ATOM 963 OE1 GLN A 63 -0.853 1.199 -7.667 1.00 34.20 O ATOM 964 NE2 GLN A 63 0.133 -0.733 -8.125 1.00 5.42 N ATOM 0 H GLN A 63 2.942 4.202 -5.458 1.00 63.34 H new ATOM 0 HA GLN A 63 1.696 2.004 -3.878 1.00 12.55 H new ATOM 0 HB2 GLN A 63 0.394 2.601 -5.870 1.00 42.41 H new ATOM 0 HB3 GLN A 63 1.817 2.467 -6.885 1.00 42.41 H new ATOM 0 HG2 GLN A 63 1.924 0.035 -6.492 1.00 61.13 H new ATOM 0 HG3 GLN A 63 0.592 0.127 -5.356 1.00 61.13 H new ATOM 0 HE21 GLN A 63 0.858 -1.412 -7.893 1.00 5.42 H new ATOM 0 HE22 GLN A 63 -0.495 -0.906 -8.910 1.00 5.42 H new ATOM 973 N GLY A 64 3.601 0.442 -4.120 1.00 14.03 N ATOM 974 CA GLY A 64 4.746 -0.444 -4.110 1.00 52.32 C ATOM 975 C GLY A 64 4.354 -1.888 -4.198 1.00 5.10 C ATOM 976 O GLY A 64 3.171 -2.232 -4.196 1.00 32.22 O ATOM 0 H GLY A 64 2.846 0.145 -3.501 1.00 14.03 H new ATOM 0 HA2 GLY A 64 5.400 -0.197 -4.946 1.00 52.32 H new ATOM 0 HA3 GLY A 64 5.320 -0.281 -3.197 1.00 52.32 H new ATOM 980 N GLY A 65 5.367 -2.730 -4.285 1.00 41.21 N ATOM 981 CA GLY A 65 5.187 -4.160 -4.365 1.00 64.31 C ATOM 982 C GLY A 65 6.515 -4.858 -4.489 1.00 20.32 C ATOM 983 O GLY A 65 7.545 -4.205 -4.697 1.00 44.13 O ATOM 0 H GLY A 65 6.343 -2.435 -4.302 1.00 41.21 H new ATOM 0 HA2 GLY A 65 4.665 -4.516 -3.477 1.00 64.31 H new ATOM 0 HA3 GLY A 65 4.560 -4.405 -5.223 1.00 64.31 H new ATOM 987 N ASP A 66 6.503 -6.179 -4.386 1.00 54.13 N ATOM 988 CA ASP A 66 7.740 -6.963 -4.324 1.00 31.42 C ATOM 989 C ASP A 66 8.125 -7.443 -5.732 1.00 33.14 C ATOM 990 O ASP A 66 7.306 -7.383 -6.663 1.00 31.42 O ATOM 991 CB ASP A 66 7.547 -8.164 -3.368 1.00 3.43 C ATOM 992 CG ASP A 66 8.874 -8.748 -2.871 1.00 2.32 C ATOM 993 OD1 ASP A 66 9.596 -8.015 -2.167 1.00 32.31 O ATOM 994 OD2 ASP A 66 9.235 -9.888 -3.219 1.00 23.53 O ATOM 0 H ASP A 66 5.650 -6.737 -4.343 1.00 54.13 H new ATOM 0 HA ASP A 66 8.548 -6.340 -3.941 1.00 31.42 H new ATOM 0 HB2 ASP A 66 6.951 -7.848 -2.512 1.00 3.43 H new ATOM 0 HB3 ASP A 66 6.982 -8.943 -3.880 1.00 3.43 H new ATOM 999 N PHE A 67 9.371 -7.925 -5.877 1.00 64.33 N ATOM 1000 CA PHE A 67 9.854 -8.518 -7.135 1.00 33.43 C ATOM 1001 C PHE A 67 9.177 -9.889 -7.379 1.00 11.30 C ATOM 1002 O PHE A 67 9.083 -10.339 -8.522 1.00 35.45 O ATOM 1003 CB PHE A 67 11.403 -8.640 -7.098 1.00 64.44 C ATOM 1004 CG PHE A 67 12.054 -8.904 -8.460 1.00 62.24 C ATOM 1005 CD1 PHE A 67 12.249 -7.859 -9.369 1.00 43.12 C ATOM 1006 CD2 PHE A 67 12.477 -10.182 -8.832 1.00 14.23 C ATOM 1007 CE1 PHE A 67 12.845 -8.086 -10.600 1.00 20.13 C ATOM 1008 CE2 PHE A 67 13.070 -10.406 -10.061 1.00 22.34 C ATOM 1009 CZ PHE A 67 13.255 -9.358 -10.944 1.00 34.54 C ATOM 0 H PHE A 67 10.067 -7.915 -5.131 1.00 64.33 H new ATOM 0 HA PHE A 67 9.586 -7.869 -7.969 1.00 33.43 H new ATOM 0 HB2 PHE A 67 11.817 -7.721 -6.684 1.00 64.44 H new ATOM 0 HB3 PHE A 67 11.675 -9.447 -6.417 1.00 64.44 H new ATOM 0 HD1 PHE A 67 11.931 -6.861 -9.108 1.00 43.12 H new ATOM 0 HD2 PHE A 67 12.339 -11.008 -8.150 1.00 14.23 H new ATOM 0 HE1 PHE A 67 12.988 -7.267 -11.290 1.00 20.13 H new ATOM 0 HE2 PHE A 67 13.389 -11.402 -10.332 1.00 22.34 H new ATOM 0 HZ PHE A 67 13.720 -9.535 -11.902 1.00 34.54 H new ATOM 1019 N THR A 68 8.692 -10.524 -6.294 1.00 14.21 N ATOM 1020 CA THR A 68 7.954 -11.794 -6.351 1.00 14.54 C ATOM 1021 C THR A 68 6.650 -11.641 -7.169 1.00 40.34 C ATOM 1022 O THR A 68 5.729 -10.909 -6.757 1.00 42.11 O ATOM 1023 CB THR A 68 7.651 -12.306 -4.906 1.00 15.01 C ATOM 1024 OG1 THR A 68 8.888 -12.617 -4.242 1.00 15.50 O ATOM 1025 CG2 THR A 68 6.747 -13.546 -4.886 1.00 72.50 C ATOM 0 H THR A 68 8.804 -10.164 -5.346 1.00 14.21 H new ATOM 0 HA THR A 68 8.576 -12.533 -6.857 1.00 14.54 H new ATOM 0 HB THR A 68 7.118 -11.507 -4.390 1.00 15.01 H new ATOM 0 HG1 THR A 68 9.231 -11.814 -3.796 1.00 15.50 H new ATOM 0 HG21 THR A 68 6.573 -13.853 -3.855 1.00 72.50 H new ATOM 0 HG22 THR A 68 5.794 -13.309 -5.359 1.00 72.50 H new ATOM 0 HG23 THR A 68 7.231 -14.358 -5.430 1.00 72.50 H new ATOM 1033 N ARG A 69 6.612 -12.341 -8.336 1.00 44.43 N ATOM 1034 CA ARG A 69 5.504 -12.281 -9.316 1.00 62.40 C ATOM 1035 C ARG A 69 5.268 -10.854 -9.847 1.00 21.43 C ATOM 1036 O ARG A 69 4.140 -10.537 -10.234 1.00 34.35 O ATOM 1037 CB ARG A 69 4.173 -12.884 -8.745 1.00 63.41 C ATOM 1038 CG ARG A 69 4.058 -14.420 -8.802 1.00 44.23 C ATOM 1039 CD ARG A 69 2.628 -14.911 -8.516 1.00 15.20 C ATOM 1040 NE ARG A 69 2.509 -16.370 -8.686 1.00 62.11 N ATOM 1041 CZ ARG A 69 1.422 -17.019 -9.135 1.00 65.11 C ATOM 1042 NH1 ARG A 69 0.326 -16.351 -9.487 1.00 53.02 N ATOM 1043 NH2 ARG A 69 1.443 -18.341 -9.220 1.00 31.44 N ATOM 0 H ARG A 69 7.363 -12.970 -8.621 1.00 44.43 H new ATOM 0 HA ARG A 69 5.817 -12.900 -10.157 1.00 62.40 H new ATOM 0 HB2 ARG A 69 4.068 -12.568 -7.707 1.00 63.41 H new ATOM 0 HB3 ARG A 69 3.336 -12.454 -9.295 1.00 63.41 H new ATOM 0 HG2 ARG A 69 4.369 -14.769 -9.787 1.00 44.23 H new ATOM 0 HG3 ARG A 69 4.742 -14.860 -8.077 1.00 44.23 H new ATOM 0 HD2 ARG A 69 2.346 -14.639 -7.499 1.00 15.20 H new ATOM 0 HD3 ARG A 69 1.930 -14.408 -9.185 1.00 15.20 H new ATOM 0 HE ARG A 69 3.322 -16.936 -8.442 1.00 62.11 H new ATOM 0 HH11 ARG A 69 0.304 -15.334 -9.417 1.00 53.02 H new ATOM 0 HH12 ARG A 69 -0.492 -16.856 -9.826 1.00 53.02 H new ATOM 0 HH21 ARG A 69 2.279 -18.856 -8.946 1.00 31.44 H new ATOM 0 HH22 ARG A 69 0.623 -18.843 -9.560 1.00 31.44 H new ATOM 1057 N HIS A 70 6.335 -10.017 -9.910 1.00 65.14 N ATOM 1058 CA HIS A 70 6.242 -8.605 -10.393 1.00 24.13 C ATOM 1059 C HIS A 70 5.542 -8.525 -11.770 1.00 15.13 C ATOM 1060 O HIS A 70 4.801 -7.578 -12.055 1.00 5.31 O ATOM 1061 CB HIS A 70 7.643 -7.931 -10.450 1.00 75.32 C ATOM 1062 CG HIS A 70 8.577 -8.489 -11.505 1.00 54.10 C ATOM 1063 ND1 HIS A 70 8.562 -8.070 -12.821 1.00 72.10 N ATOM 1064 CD2 HIS A 70 9.559 -9.420 -11.436 1.00 13.14 C ATOM 1065 CE1 HIS A 70 9.482 -8.718 -13.500 1.00 13.04 C ATOM 1066 NE2 HIS A 70 10.099 -9.536 -12.685 1.00 22.04 N ATOM 0 H HIS A 70 7.277 -10.293 -9.632 1.00 65.14 H new ATOM 0 HA HIS A 70 5.634 -8.057 -9.673 1.00 24.13 H new ATOM 0 HB2 HIS A 70 7.510 -6.864 -10.631 1.00 75.32 H new ATOM 0 HB3 HIS A 70 8.119 -8.032 -9.474 1.00 75.32 H new ATOM 0 HD2 HIS A 70 9.859 -9.969 -10.556 1.00 13.14 H new ATOM 0 HE1 HIS A 70 9.693 -8.596 -14.552 1.00 13.04 H new ATOM 0 HE2 HIS A 70 10.863 -10.161 -12.942 1.00 22.04 H new ATOM 1075 N ASN A 71 5.770 -9.566 -12.589 1.00 11.12 N ATOM 1076 CA ASN A 71 5.075 -9.779 -13.855 1.00 35.13 C ATOM 1077 C ASN A 71 3.641 -10.295 -13.568 1.00 22.22 C ATOM 1078 O ASN A 71 3.418 -11.503 -13.402 1.00 1.23 O ATOM 1079 CB ASN A 71 5.888 -10.780 -14.727 1.00 62.35 C ATOM 1080 CG ASN A 71 5.256 -11.049 -16.096 1.00 24.24 C ATOM 1081 OD1 ASN A 71 5.545 -10.360 -17.071 1.00 3.53 O ATOM 1082 ND2 ASN A 71 4.383 -12.036 -16.173 1.00 41.22 N ATOM 0 H ASN A 71 6.456 -10.291 -12.380 1.00 11.12 H new ATOM 0 HA ASN A 71 4.992 -8.844 -14.409 1.00 35.13 H new ATOM 0 HB2 ASN A 71 6.895 -10.390 -14.871 1.00 62.35 H new ATOM 0 HB3 ASN A 71 5.985 -11.723 -14.189 1.00 62.35 H new ATOM 0 HD21 ASN A 71 3.927 -12.245 -17.061 1.00 41.22 H new ATOM 0 HD22 ASN A 71 4.165 -12.590 -15.345 1.00 41.22 H new ATOM 1089 N GLY A 72 2.696 -9.345 -13.429 1.00 4.04 N ATOM 1090 CA GLY A 72 1.263 -9.657 -13.345 1.00 20.33 C ATOM 1091 C GLY A 72 0.659 -9.650 -11.942 1.00 40.43 C ATOM 1092 O GLY A 72 -0.567 -9.782 -11.813 1.00 44.32 O ATOM 0 H GLY A 72 2.906 -8.348 -13.373 1.00 4.04 H new ATOM 0 HA2 GLY A 72 0.718 -8.939 -13.958 1.00 20.33 H new ATOM 0 HA3 GLY A 72 1.099 -10.641 -13.785 1.00 20.33 H new ATOM 1096 N THR A 73 1.483 -9.512 -10.883 1.00 2.51 N ATOM 1097 CA THR A 73 0.986 -9.489 -9.486 1.00 34.22 C ATOM 1098 C THR A 73 1.813 -8.477 -8.651 1.00 2.32 C ATOM 1099 O THR A 73 1.337 -7.377 -8.354 1.00 62.12 O ATOM 1100 CB THR A 73 1.037 -10.923 -8.845 1.00 24.03 C ATOM 1101 OG1 THR A 73 0.456 -11.888 -9.737 1.00 0.52 O ATOM 1102 CG2 THR A 73 0.300 -10.988 -7.500 1.00 44.31 C ATOM 0 H THR A 73 2.495 -9.415 -10.965 1.00 2.51 H new ATOM 0 HA THR A 73 -0.056 -9.170 -9.491 1.00 34.22 H new ATOM 0 HB THR A 73 2.089 -11.151 -8.670 1.00 24.03 H new ATOM 0 HG1 THR A 73 1.160 -12.470 -10.093 1.00 0.52 H new ATOM 0 HG21 THR A 73 0.364 -11.999 -7.098 1.00 44.31 H new ATOM 0 HG22 THR A 73 0.758 -10.290 -6.800 1.00 44.31 H new ATOM 0 HG23 THR A 73 -0.747 -10.721 -7.645 1.00 44.31 H new ATOM 1110 N GLY A 74 3.059 -8.868 -8.294 1.00 12.31 N ATOM 1111 CA GLY A 74 4.015 -7.986 -7.617 1.00 32.10 C ATOM 1112 C GLY A 74 3.661 -7.703 -6.165 1.00 12.43 C ATOM 1113 O GLY A 74 3.822 -6.581 -5.703 1.00 35.11 O ATOM 0 H GLY A 74 3.421 -9.805 -8.471 1.00 12.31 H new ATOM 0 HA2 GLY A 74 5.006 -8.438 -7.659 1.00 32.10 H new ATOM 0 HA3 GLY A 74 4.072 -7.042 -8.159 1.00 32.10 H new ATOM 1117 N GLY A 75 3.188 -8.726 -5.433 1.00 60.24 N ATOM 1118 CA GLY A 75 2.681 -8.527 -4.070 1.00 12.21 C ATOM 1119 C GLY A 75 1.482 -9.398 -3.787 1.00 5.50 C ATOM 1120 O GLY A 75 0.422 -8.889 -3.406 1.00 75.11 O ATOM 0 H GLY A 75 3.147 -9.691 -5.761 1.00 60.24 H new ATOM 0 HA2 GLY A 75 3.470 -8.750 -3.352 1.00 12.21 H new ATOM 0 HA3 GLY A 75 2.411 -7.480 -3.932 1.00 12.21 H new ATOM 1124 N LYS A 76 1.647 -10.711 -4.038 1.00 63.53 N ATOM 1125 CA LYS A 76 0.578 -11.722 -3.906 1.00 71.44 C ATOM 1126 C LYS A 76 -0.039 -11.737 -2.488 1.00 22.05 C ATOM 1127 O LYS A 76 0.562 -11.250 -1.517 1.00 60.22 O ATOM 1128 CB LYS A 76 1.132 -13.141 -4.254 1.00 13.41 C ATOM 1129 CG LYS A 76 2.015 -13.779 -3.148 1.00 62.30 C ATOM 1130 CD LYS A 76 2.594 -15.154 -3.533 1.00 24.50 C ATOM 1131 CE LYS A 76 3.532 -15.091 -4.746 1.00 44.45 C ATOM 1132 NZ LYS A 76 4.233 -16.383 -4.976 1.00 44.01 N ATOM 0 H LYS A 76 2.537 -11.105 -4.342 1.00 63.53 H new ATOM 0 HA LYS A 76 -0.210 -11.451 -4.608 1.00 71.44 H new ATOM 0 HB2 LYS A 76 0.292 -13.805 -4.458 1.00 13.41 H new ATOM 0 HB3 LYS A 76 1.715 -13.074 -5.172 1.00 13.41 H new ATOM 0 HG2 LYS A 76 2.836 -13.101 -2.915 1.00 62.30 H new ATOM 0 HG3 LYS A 76 1.423 -13.886 -2.239 1.00 62.30 H new ATOM 0 HD2 LYS A 76 3.137 -15.565 -2.682 1.00 24.50 H new ATOM 0 HD3 LYS A 76 1.775 -15.839 -3.749 1.00 24.50 H new ATOM 0 HE2 LYS A 76 2.959 -14.826 -5.634 1.00 44.45 H new ATOM 0 HE3 LYS A 76 4.268 -14.301 -4.595 1.00 44.45 H new ATOM 0 HZ1 LYS A 76 4.856 -16.297 -5.804 1.00 44.01 H new ATOM 0 HZ2 LYS A 76 4.801 -16.624 -4.139 1.00 44.01 H new ATOM 0 HZ3 LYS A 76 3.532 -17.133 -5.146 1.00 44.01 H new ATOM 1146 N SER A 77 -1.221 -12.347 -2.386 1.00 63.43 N ATOM 1147 CA SER A 77 -1.965 -12.466 -1.131 1.00 11.41 C ATOM 1148 C SER A 77 -1.595 -13.772 -0.410 1.00 21.50 C ATOM 1149 O SER A 77 -0.870 -14.621 -0.952 1.00 11.53 O ATOM 1150 CB SER A 77 -3.474 -12.416 -1.445 1.00 12.42 C ATOM 1151 OG SER A 77 -3.865 -13.454 -2.330 1.00 2.32 O ATOM 0 H SER A 77 -1.694 -12.777 -3.181 1.00 63.43 H new ATOM 0 HA SER A 77 -1.708 -11.641 -0.467 1.00 11.41 H new ATOM 0 HB2 SER A 77 -4.041 -12.497 -0.517 1.00 12.42 H new ATOM 0 HB3 SER A 77 -3.721 -11.450 -1.886 1.00 12.42 H new ATOM 0 HG SER A 77 -3.075 -13.963 -2.607 1.00 2.32 H new ATOM 1157 N ILE A 78 -2.110 -13.934 0.814 1.00 24.33 N ATOM 1158 CA ILE A 78 -1.972 -15.187 1.571 1.00 11.13 C ATOM 1159 C ILE A 78 -2.914 -16.259 0.990 1.00 3.30 C ATOM 1160 O ILE A 78 -2.737 -17.452 1.226 1.00 64.40 O ATOM 1161 CB ILE A 78 -2.250 -14.978 3.103 1.00 32.42 C ATOM 1162 CG1 ILE A 78 -3.755 -14.716 3.410 1.00 30.51 C ATOM 1163 CG2 ILE A 78 -1.390 -13.815 3.640 1.00 52.01 C ATOM 1164 CD1 ILE A 78 -4.088 -14.602 4.892 1.00 2.32 C ATOM 0 H ILE A 78 -2.630 -13.208 1.306 1.00 24.33 H new ATOM 0 HA ILE A 78 -0.940 -15.525 1.474 1.00 11.13 H new ATOM 0 HB ILE A 78 -1.978 -15.905 3.608 1.00 32.42 H new ATOM 0 HG12 ILE A 78 -4.060 -13.796 2.911 1.00 30.51 H new ATOM 0 HG13 ILE A 78 -4.346 -15.524 2.979 1.00 30.51 H new ATOM 0 HG21 ILE A 78 -1.588 -13.676 4.703 1.00 52.01 H new ATOM 0 HG22 ILE A 78 -0.335 -14.046 3.495 1.00 52.01 H new ATOM 0 HG23 ILE A 78 -1.639 -12.900 3.102 1.00 52.01 H new ATOM 0 HD11 ILE A 78 -5.156 -14.420 5.012 1.00 2.32 H new ATOM 0 HD12 ILE A 78 -3.819 -15.529 5.398 1.00 2.32 H new ATOM 0 HD13 ILE A 78 -3.528 -13.775 5.328 1.00 2.32 H new ATOM 1176 N TYR A 79 -3.902 -15.791 0.208 1.00 44.11 N ATOM 1177 CA TYR A 79 -4.932 -16.625 -0.423 1.00 34.50 C ATOM 1178 C TYR A 79 -4.452 -17.145 -1.792 1.00 30.31 C ATOM 1179 O TYR A 79 -5.069 -18.046 -2.372 1.00 73.02 O ATOM 1180 CB TYR A 79 -6.223 -15.779 -0.573 1.00 45.20 C ATOM 1181 CG TYR A 79 -6.651 -15.108 0.744 1.00 65.52 C ATOM 1182 CD1 TYR A 79 -7.165 -15.862 1.800 1.00 64.34 C ATOM 1183 CD2 TYR A 79 -6.505 -13.730 0.945 1.00 32.41 C ATOM 1184 CE1 TYR A 79 -7.510 -15.269 3.000 1.00 23.15 C ATOM 1185 CE2 TYR A 79 -6.858 -13.138 2.139 1.00 75.05 C ATOM 1186 CZ TYR A 79 -7.357 -13.912 3.162 1.00 61.30 C ATOM 1187 OH TYR A 79 -7.681 -13.328 4.362 1.00 71.23 O ATOM 0 H TYR A 79 -4.006 -14.799 -0.006 1.00 44.11 H new ATOM 0 HA TYR A 79 -5.135 -17.496 0.200 1.00 34.50 H new ATOM 0 HB2 TYR A 79 -6.064 -15.012 -1.331 1.00 45.20 H new ATOM 0 HB3 TYR A 79 -7.031 -16.417 -0.930 1.00 45.20 H new ATOM 0 HD1 TYR A 79 -7.295 -16.927 1.677 1.00 64.34 H new ATOM 0 HD2 TYR A 79 -6.108 -13.118 0.148 1.00 32.41 H new ATOM 0 HE1 TYR A 79 -7.899 -15.870 3.809 1.00 23.15 H new ATOM 0 HE2 TYR A 79 -6.744 -12.072 2.271 1.00 75.05 H new ATOM 0 HH TYR A 79 -7.603 -12.354 4.284 1.00 71.23 H new ATOM 1197 N GLY A 80 -3.350 -16.556 -2.298 1.00 44.22 N ATOM 1198 CA GLY A 80 -2.743 -16.945 -3.571 1.00 44.41 C ATOM 1199 C GLY A 80 -2.226 -15.734 -4.313 1.00 35.44 C ATOM 1200 O GLY A 80 -1.555 -14.895 -3.715 1.00 21.30 O ATOM 0 H GLY A 80 -2.860 -15.795 -1.828 1.00 44.22 H new ATOM 0 HA2 GLY A 80 -1.925 -17.643 -3.391 1.00 44.41 H new ATOM 0 HA3 GLY A 80 -3.478 -17.467 -4.185 1.00 44.41 H new ATOM 1204 N GLU A 81 -2.539 -15.645 -5.613 1.00 33.34 N ATOM 1205 CA GLU A 81 -2.201 -14.484 -6.448 1.00 54.13 C ATOM 1206 C GLU A 81 -2.972 -13.244 -5.957 1.00 2.43 C ATOM 1207 O GLU A 81 -2.385 -12.214 -5.620 1.00 74.01 O ATOM 1208 CB GLU A 81 -2.566 -14.784 -7.926 1.00 62.01 C ATOM 1209 CG GLU A 81 -2.133 -13.696 -8.936 1.00 44.23 C ATOM 1210 CD GLU A 81 -2.804 -13.834 -10.310 1.00 61.21 C ATOM 1211 OE1 GLU A 81 -2.990 -14.971 -10.789 1.00 70.13 O ATOM 1212 OE2 GLU A 81 -3.188 -12.809 -10.900 1.00 2.42 O ATOM 0 H GLU A 81 -3.036 -16.379 -6.117 1.00 33.34 H new ATOM 0 HA GLU A 81 -1.132 -14.286 -6.375 1.00 54.13 H new ATOM 0 HB2 GLU A 81 -2.107 -15.730 -8.214 1.00 62.01 H new ATOM 0 HB3 GLU A 81 -3.645 -14.918 -7.999 1.00 62.01 H new ATOM 0 HG2 GLU A 81 -2.367 -12.715 -8.523 1.00 44.23 H new ATOM 0 HG3 GLU A 81 -1.051 -13.739 -9.063 1.00 44.23 H new ATOM 1219 N LYS A 82 -4.299 -13.409 -5.880 1.00 15.41 N ATOM 1220 CA LYS A 82 -5.255 -12.331 -5.586 1.00 14.11 C ATOM 1221 C LYS A 82 -6.569 -12.948 -5.061 1.00 34.11 C ATOM 1222 O LYS A 82 -6.725 -14.181 -5.052 1.00 62.35 O ATOM 1223 CB LYS A 82 -5.484 -11.489 -6.873 1.00 34.42 C ATOM 1224 CG LYS A 82 -6.012 -12.304 -8.082 1.00 3.51 C ATOM 1225 CD LYS A 82 -5.968 -11.503 -9.401 1.00 21.35 C ATOM 1226 CE LYS A 82 -6.686 -12.216 -10.553 1.00 54.13 C ATOM 1227 NZ LYS A 82 -6.093 -13.540 -10.869 1.00 22.13 N ATOM 0 H LYS A 82 -4.748 -14.314 -6.023 1.00 15.41 H new ATOM 0 HA LYS A 82 -4.864 -11.668 -4.815 1.00 14.11 H new ATOM 0 HB2 LYS A 82 -6.192 -10.691 -6.650 1.00 34.42 H new ATOM 0 HB3 LYS A 82 -4.545 -11.012 -7.153 1.00 34.42 H new ATOM 0 HG2 LYS A 82 -5.418 -13.211 -8.192 1.00 3.51 H new ATOM 0 HG3 LYS A 82 -7.037 -12.617 -7.885 1.00 3.51 H new ATOM 0 HD2 LYS A 82 -6.425 -10.526 -9.243 1.00 21.35 H new ATOM 0 HD3 LYS A 82 -4.929 -11.327 -9.680 1.00 21.35 H new ATOM 0 HE2 LYS A 82 -7.737 -12.346 -10.295 1.00 54.13 H new ATOM 0 HE3 LYS A 82 -6.652 -11.586 -11.442 1.00 54.13 H new ATOM 0 HZ1 LYS A 82 -6.648 -13.999 -11.620 1.00 22.13 H new ATOM 0 HZ2 LYS A 82 -5.112 -13.413 -11.192 1.00 22.13 H new ATOM 0 HZ3 LYS A 82 -6.103 -14.137 -10.017 1.00 22.13 H new ATOM 1241 N PHE A 83 -7.508 -12.092 -4.630 1.00 40.33 N ATOM 1242 CA PHE A 83 -8.780 -12.518 -4.010 1.00 45.24 C ATOM 1243 C PHE A 83 -9.850 -11.428 -4.188 1.00 51.14 C ATOM 1244 O PHE A 83 -9.562 -10.323 -4.677 1.00 53.25 O ATOM 1245 CB PHE A 83 -8.581 -12.875 -2.498 1.00 64.41 C ATOM 1246 CG PHE A 83 -8.110 -11.725 -1.596 1.00 12.33 C ATOM 1247 CD1 PHE A 83 -6.816 -11.230 -1.687 1.00 14.11 C ATOM 1248 CD2 PHE A 83 -8.957 -11.152 -0.644 1.00 24.01 C ATOM 1249 CE1 PHE A 83 -6.387 -10.203 -0.869 1.00 61.35 C ATOM 1250 CE2 PHE A 83 -8.525 -10.122 0.174 1.00 12.13 C ATOM 1251 CZ PHE A 83 -7.236 -9.648 0.059 1.00 5.13 C ATOM 0 H PHE A 83 -7.409 -11.079 -4.700 1.00 40.33 H new ATOM 0 HA PHE A 83 -9.123 -13.421 -4.515 1.00 45.24 H new ATOM 0 HB2 PHE A 83 -9.525 -13.255 -2.107 1.00 64.41 H new ATOM 0 HB3 PHE A 83 -7.857 -13.687 -2.428 1.00 64.41 H new ATOM 0 HD1 PHE A 83 -6.134 -11.655 -2.409 1.00 14.11 H new ATOM 0 HD2 PHE A 83 -9.968 -11.519 -0.544 1.00 24.01 H new ATOM 0 HE1 PHE A 83 -5.376 -9.833 -0.959 1.00 61.35 H new ATOM 0 HE2 PHE A 83 -9.197 -9.691 0.901 1.00 12.13 H new ATOM 0 HZ PHE A 83 -6.895 -8.845 0.695 1.00 5.13 H new ATOM 1261 N GLU A 84 -11.091 -11.758 -3.805 1.00 35.00 N ATOM 1262 CA GLU A 84 -12.231 -10.831 -3.890 1.00 51.44 C ATOM 1263 C GLU A 84 -12.325 -9.964 -2.611 1.00 30.53 C ATOM 1264 O GLU A 84 -11.689 -10.260 -1.593 1.00 5.11 O ATOM 1265 CB GLU A 84 -13.539 -11.630 -4.115 1.00 23.31 C ATOM 1266 CG GLU A 84 -13.985 -12.471 -2.904 1.00 54.24 C ATOM 1267 CD GLU A 84 -15.276 -13.251 -3.165 1.00 33.52 C ATOM 1268 OE1 GLU A 84 -16.360 -12.629 -3.176 1.00 30.24 O ATOM 1269 OE2 GLU A 84 -15.213 -14.487 -3.370 1.00 73.45 O ATOM 0 H GLU A 84 -11.334 -12.674 -3.428 1.00 35.00 H new ATOM 0 HA GLU A 84 -12.082 -10.160 -4.736 1.00 51.44 H new ATOM 0 HB2 GLU A 84 -14.337 -10.933 -4.372 1.00 23.31 H new ATOM 0 HB3 GLU A 84 -13.405 -12.291 -4.971 1.00 23.31 H new ATOM 0 HG2 GLU A 84 -13.191 -13.170 -2.641 1.00 54.24 H new ATOM 0 HG3 GLU A 84 -14.130 -11.815 -2.046 1.00 54.24 H new ATOM 1276 N ASP A 85 -13.164 -8.927 -2.671 1.00 41.34 N ATOM 1277 CA ASP A 85 -13.307 -7.919 -1.599 1.00 22.44 C ATOM 1278 C ASP A 85 -14.194 -8.411 -0.460 1.00 3.22 C ATOM 1279 O ASP A 85 -15.091 -9.238 -0.671 1.00 61.23 O ATOM 1280 CB ASP A 85 -13.856 -6.606 -2.199 1.00 65.32 C ATOM 1281 CG ASP A 85 -12.792 -5.885 -3.031 1.00 14.51 C ATOM 1282 OD1 ASP A 85 -11.759 -5.500 -2.441 1.00 23.43 O ATOM 1283 OD2 ASP A 85 -12.957 -5.738 -4.259 1.00 10.24 O ATOM 0 H ASP A 85 -13.773 -8.755 -3.471 1.00 41.34 H new ATOM 0 HA ASP A 85 -12.322 -7.738 -1.169 1.00 22.44 H new ATOM 0 HB2 ASP A 85 -14.723 -6.824 -2.823 1.00 65.32 H new ATOM 0 HB3 ASP A 85 -14.197 -5.952 -1.397 1.00 65.32 H new ATOM 1288 N GLU A 86 -13.906 -7.905 0.760 1.00 0.44 N ATOM 1289 CA GLU A 86 -14.628 -8.298 1.980 1.00 32.24 C ATOM 1290 C GLU A 86 -15.994 -7.592 2.077 1.00 20.52 C ATOM 1291 O GLU A 86 -17.046 -8.245 2.020 1.00 22.23 O ATOM 1292 CB GLU A 86 -13.761 -7.991 3.243 1.00 3.33 C ATOM 1293 CG GLU A 86 -14.387 -8.420 4.596 1.00 2.44 C ATOM 1294 CD GLU A 86 -14.507 -9.951 4.772 1.00 73.15 C ATOM 1295 OE1 GLU A 86 -15.358 -10.586 4.119 1.00 31.41 O ATOM 1296 OE2 GLU A 86 -13.743 -10.531 5.559 1.00 64.45 O ATOM 0 H GLU A 86 -13.170 -7.217 0.921 1.00 0.44 H new ATOM 0 HA GLU A 86 -14.813 -9.371 1.931 1.00 32.24 H new ATOM 0 HB2 GLU A 86 -12.798 -8.490 3.133 1.00 3.33 H new ATOM 0 HB3 GLU A 86 -13.563 -6.920 3.276 1.00 3.33 H new ATOM 0 HG2 GLU A 86 -13.783 -8.017 5.409 1.00 2.44 H new ATOM 0 HG3 GLU A 86 -15.378 -7.975 4.684 1.00 2.44 H new ATOM 1303 N ASN A 87 -15.946 -6.250 2.163 1.00 61.23 N ATOM 1304 CA ASN A 87 -17.129 -5.381 2.353 1.00 52.41 C ATOM 1305 C ASN A 87 -16.685 -3.911 2.321 1.00 15.22 C ATOM 1306 O ASN A 87 -15.626 -3.587 2.849 1.00 14.43 O ATOM 1307 CB ASN A 87 -17.894 -5.709 3.684 1.00 32.45 C ATOM 1308 CG ASN A 87 -17.019 -5.741 4.956 1.00 63.24 C ATOM 1309 OD1 ASN A 87 -16.018 -5.047 5.071 1.00 30.14 O ATOM 1310 ND2 ASN A 87 -17.408 -6.542 5.934 1.00 44.35 N ATOM 0 H ASN A 87 -15.072 -5.728 2.102 1.00 61.23 H new ATOM 0 HA ASN A 87 -17.829 -5.569 1.539 1.00 52.41 H new ATOM 0 HB2 ASN A 87 -18.682 -4.969 3.823 1.00 32.45 H new ATOM 0 HB3 ASN A 87 -18.382 -6.677 3.574 1.00 32.45 H new ATOM 0 HD21 ASN A 87 -16.871 -6.588 6.800 1.00 44.35 H new ATOM 0 HD22 ASN A 87 -18.245 -7.114 5.822 1.00 44.35 H new ATOM 1317 N PHE A 88 -17.505 -3.012 1.745 1.00 44.03 N ATOM 1318 CA PHE A 88 -17.075 -1.621 1.425 1.00 21.25 C ATOM 1319 C PHE A 88 -17.333 -0.663 2.610 1.00 13.03 C ATOM 1320 O PHE A 88 -17.894 0.430 2.451 1.00 63.55 O ATOM 1321 CB PHE A 88 -17.782 -1.140 0.122 1.00 54.32 C ATOM 1322 CG PHE A 88 -17.423 -1.978 -1.110 1.00 34.53 C ATOM 1323 CD1 PHE A 88 -16.265 -1.710 -1.848 1.00 15.31 C ATOM 1324 CD2 PHE A 88 -18.222 -3.048 -1.519 1.00 53.12 C ATOM 1325 CE1 PHE A 88 -15.926 -2.485 -2.945 1.00 13.33 C ATOM 1326 CE2 PHE A 88 -17.881 -3.817 -2.620 1.00 34.31 C ATOM 1327 CZ PHE A 88 -16.733 -3.536 -3.330 1.00 0.45 C ATOM 0 H PHE A 88 -18.471 -3.216 1.488 1.00 44.03 H new ATOM 0 HA PHE A 88 -15.999 -1.616 1.253 1.00 21.25 H new ATOM 0 HB2 PHE A 88 -18.861 -1.170 0.271 1.00 54.32 H new ATOM 0 HB3 PHE A 88 -17.515 -0.100 -0.065 1.00 54.32 H new ATOM 0 HD1 PHE A 88 -15.627 -0.888 -1.559 1.00 15.31 H new ATOM 0 HD2 PHE A 88 -19.121 -3.280 -0.968 1.00 53.12 H new ATOM 0 HE1 PHE A 88 -15.027 -2.266 -3.501 1.00 13.33 H new ATOM 0 HE2 PHE A 88 -18.515 -4.637 -2.922 1.00 34.31 H new ATOM 0 HZ PHE A 88 -16.466 -4.138 -4.186 1.00 0.45 H new ATOM 1337 N ILE A 89 -16.870 -1.088 3.798 1.00 60.12 N ATOM 1338 CA ILE A 89 -16.897 -0.284 5.031 1.00 62.25 C ATOM 1339 C ILE A 89 -15.927 0.909 4.901 1.00 54.55 C ATOM 1340 O ILE A 89 -16.284 2.057 5.184 1.00 35.41 O ATOM 1341 CB ILE A 89 -16.496 -1.172 6.285 1.00 51.40 C ATOM 1342 CG1 ILE A 89 -17.533 -2.325 6.496 1.00 32.12 C ATOM 1343 CG2 ILE A 89 -16.332 -0.325 7.575 1.00 1.03 C ATOM 1344 CD1 ILE A 89 -17.233 -3.261 7.662 1.00 33.31 C ATOM 0 H ILE A 89 -16.461 -2.013 3.930 1.00 60.12 H new ATOM 0 HA ILE A 89 -17.910 0.090 5.180 1.00 62.25 H new ATOM 0 HB ILE A 89 -15.523 -1.615 6.073 1.00 51.40 H new ATOM 0 HG12 ILE A 89 -18.518 -1.883 6.649 1.00 32.12 H new ATOM 0 HG13 ILE A 89 -17.587 -2.915 5.581 1.00 32.12 H new ATOM 0 HG21 ILE A 89 -16.058 -0.976 8.405 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -15.551 0.420 7.424 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -17.272 0.177 7.803 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -18.008 -4.025 7.724 1.00 33.31 H new ATOM 0 HD12 ILE A 89 -16.266 -3.738 7.506 1.00 33.31 H new ATOM 0 HD13 ILE A 89 -17.210 -2.690 8.590 1.00 33.31 H new ATOM 1356 N LEU A 90 -14.704 0.609 4.453 1.00 34.25 N ATOM 1357 CA LEU A 90 -13.608 1.582 4.368 1.00 43.13 C ATOM 1358 C LEU A 90 -13.456 2.100 2.930 1.00 64.41 C ATOM 1359 O LEU A 90 -13.262 1.311 1.992 1.00 23.03 O ATOM 1360 CB LEU A 90 -12.302 0.902 4.837 1.00 51.43 C ATOM 1361 CG LEU A 90 -12.313 0.308 6.279 1.00 32.25 C ATOM 1362 CD1 LEU A 90 -11.021 -0.470 6.560 1.00 20.12 C ATOM 1363 CD2 LEU A 90 -12.539 1.406 7.340 1.00 3.22 C ATOM 0 H LEU A 90 -14.443 -0.325 4.136 1.00 34.25 H new ATOM 0 HA LEU A 90 -13.828 2.436 5.009 1.00 43.13 H new ATOM 0 HB2 LEU A 90 -12.063 0.100 4.138 1.00 51.43 H new ATOM 0 HB3 LEU A 90 -11.494 1.631 4.773 1.00 51.43 H new ATOM 0 HG LEU A 90 -13.149 -0.388 6.343 1.00 32.25 H new ATOM 0 HD11 LEU A 90 -11.053 -0.874 7.572 1.00 20.12 H new ATOM 0 HD12 LEU A 90 -10.926 -1.287 5.845 1.00 20.12 H new ATOM 0 HD13 LEU A 90 -10.165 0.198 6.463 1.00 20.12 H new ATOM 0 HD21 LEU A 90 -12.541 0.957 8.333 1.00 3.22 H new ATOM 0 HD22 LEU A 90 -11.739 2.143 7.277 1.00 3.22 H new ATOM 0 HD23 LEU A 90 -13.497 1.894 7.160 1.00 3.22 H new ATOM 1375 N LYS A 91 -13.554 3.432 2.766 1.00 32.40 N ATOM 1376 CA LYS A 91 -13.375 4.121 1.474 1.00 20.32 C ATOM 1377 C LYS A 91 -12.208 5.123 1.557 1.00 61.02 C ATOM 1378 O LYS A 91 -11.671 5.386 2.641 1.00 5.21 O ATOM 1379 CB LYS A 91 -14.679 4.835 1.041 1.00 62.22 C ATOM 1380 CG LYS A 91 -15.898 3.902 0.805 1.00 35.14 C ATOM 1381 CD LYS A 91 -17.058 4.618 0.067 1.00 4.45 C ATOM 1382 CE LYS A 91 -17.549 5.888 0.793 1.00 70.04 C ATOM 1383 NZ LYS A 91 -18.503 6.672 -0.040 1.00 11.34 N ATOM 0 H LYS A 91 -13.762 4.068 3.536 1.00 32.40 H new ATOM 0 HA LYS A 91 -13.136 3.372 0.719 1.00 20.32 H new ATOM 0 HB2 LYS A 91 -14.944 5.566 1.804 1.00 62.22 H new ATOM 0 HB3 LYS A 91 -14.483 5.389 0.123 1.00 62.22 H new ATOM 0 HG2 LYS A 91 -15.582 3.036 0.224 1.00 35.14 H new ATOM 0 HG3 LYS A 91 -16.257 3.529 1.764 1.00 35.14 H new ATOM 0 HD2 LYS A 91 -16.731 4.885 -0.938 1.00 4.45 H new ATOM 0 HD3 LYS A 91 -17.892 3.925 -0.043 1.00 4.45 H new ATOM 0 HE2 LYS A 91 -18.031 5.607 1.729 1.00 70.04 H new ATOM 0 HE3 LYS A 91 -16.693 6.513 1.050 1.00 70.04 H new ATOM 0 HZ1 LYS A 91 -18.809 7.517 0.484 1.00 11.34 H new ATOM 0 HZ2 LYS A 91 -18.036 6.962 -0.923 1.00 11.34 H new ATOM 0 HZ3 LYS A 91 -19.332 6.085 -0.264 1.00 11.34 H new ATOM 1397 N HIS A 92 -11.836 5.686 0.396 1.00 64.53 N ATOM 1398 CA HIS A 92 -10.686 6.609 0.248 1.00 44.54 C ATOM 1399 C HIS A 92 -11.130 8.071 0.523 1.00 0.01 C ATOM 1400 O HIS A 92 -10.686 9.013 -0.144 1.00 40.31 O ATOM 1401 CB HIS A 92 -10.092 6.481 -1.186 1.00 42.43 C ATOM 1402 CG HIS A 92 -9.792 5.078 -1.652 1.00 11.44 C ATOM 1403 ND1 HIS A 92 -8.513 4.609 -1.886 1.00 40.04 N ATOM 1404 CD2 HIS A 92 -10.621 4.052 -1.973 1.00 30.22 C ATOM 1405 CE1 HIS A 92 -8.575 3.361 -2.316 1.00 4.10 C ATOM 1406 NE2 HIS A 92 -9.841 3.002 -2.380 1.00 22.15 N ATOM 0 H HIS A 92 -12.328 5.514 -0.481 1.00 64.53 H new ATOM 0 HA HIS A 92 -9.918 6.342 0.974 1.00 44.54 H new ATOM 0 HB2 HIS A 92 -10.790 6.935 -1.889 1.00 42.43 H new ATOM 0 HB3 HIS A 92 -9.171 7.063 -1.230 1.00 42.43 H new ATOM 0 HD1 HIS A 92 -7.655 5.143 -1.748 1.00 40.04 H new ATOM 0 HD2 HIS A 92 -11.700 4.062 -1.918 1.00 30.22 H new ATOM 0 HE1 HIS A 92 -7.730 2.740 -2.572 1.00 4.10 H new ATOM 1415 N THR A 93 -11.966 8.246 1.561 1.00 72.44 N ATOM 1416 CA THR A 93 -12.586 9.540 1.913 1.00 4.11 C ATOM 1417 C THR A 93 -11.647 10.404 2.802 1.00 24.41 C ATOM 1418 O THR A 93 -12.001 11.523 3.198 1.00 54.34 O ATOM 1419 CB THR A 93 -13.967 9.289 2.619 1.00 15.22 C ATOM 1420 OG1 THR A 93 -14.670 10.520 2.853 1.00 70.45 O ATOM 1421 CG2 THR A 93 -13.818 8.525 3.944 1.00 11.31 C ATOM 0 H THR A 93 -12.234 7.487 2.187 1.00 72.44 H new ATOM 0 HA THR A 93 -12.755 10.103 0.995 1.00 4.11 H new ATOM 0 HB THR A 93 -14.546 8.671 1.933 1.00 15.22 H new ATOM 0 HG1 THR A 93 -14.025 11.252 2.945 1.00 70.45 H new ATOM 0 HG21 THR A 93 -14.801 8.377 4.391 1.00 11.31 H new ATOM 0 HG22 THR A 93 -13.356 7.556 3.755 1.00 11.31 H new ATOM 0 HG23 THR A 93 -13.191 9.099 4.626 1.00 11.31 H new ATOM 1429 N GLY A 94 -10.441 9.882 3.084 1.00 14.31 N ATOM 1430 CA GLY A 94 -9.438 10.575 3.902 1.00 71.51 C ATOM 1431 C GLY A 94 -8.025 10.380 3.350 1.00 32.24 C ATOM 1432 O GLY A 94 -7.811 9.485 2.525 1.00 72.32 O ATOM 0 H GLY A 94 -10.137 8.968 2.750 1.00 14.31 H new ATOM 0 HA2 GLY A 94 -9.671 11.639 3.939 1.00 71.51 H new ATOM 0 HA3 GLY A 94 -9.483 10.203 4.926 1.00 71.51 H new ATOM 1436 N PRO A 95 -7.035 11.245 3.736 1.00 24.00 N ATOM 1437 CA PRO A 95 -5.617 11.082 3.339 1.00 31.34 C ATOM 1438 C PRO A 95 -4.916 9.949 4.129 1.00 24.14 C ATOM 1439 O PRO A 95 -5.264 9.680 5.292 1.00 44.01 O ATOM 1440 CB PRO A 95 -4.984 12.479 3.652 1.00 72.12 C ATOM 1441 CG PRO A 95 -6.141 13.381 4.000 1.00 13.02 C ATOM 1442 CD PRO A 95 -7.215 12.470 4.551 1.00 45.31 C ATOM 0 HA PRO A 95 -5.510 10.792 2.294 1.00 31.34 H new ATOM 0 HB2 PRO A 95 -4.277 12.412 4.479 1.00 72.12 H new ATOM 0 HB3 PRO A 95 -4.434 12.861 2.792 1.00 72.12 H new ATOM 0 HG2 PRO A 95 -5.847 14.130 4.735 1.00 13.02 H new ATOM 0 HG3 PRO A 95 -6.496 13.919 3.121 1.00 13.02 H new ATOM 0 HD2 PRO A 95 -7.077 12.275 5.615 1.00 45.31 H new ATOM 0 HD3 PRO A 95 -8.211 12.896 4.431 1.00 45.31 H new ATOM 1450 N GLY A 96 -3.930 9.306 3.482 1.00 34.24 N ATOM 1451 CA GLY A 96 -3.127 8.246 4.107 1.00 40.54 C ATOM 1452 C GLY A 96 -3.754 6.855 4.047 1.00 73.51 C ATOM 1453 O GLY A 96 -3.375 5.968 4.813 1.00 41.42 O ATOM 0 H GLY A 96 -3.669 9.506 2.516 1.00 34.24 H new ATOM 0 HA2 GLY A 96 -2.152 8.212 3.621 1.00 40.54 H new ATOM 0 HA3 GLY A 96 -2.953 8.507 5.151 1.00 40.54 H new ATOM 1457 N ILE A 97 -4.703 6.675 3.129 1.00 52.43 N ATOM 1458 CA ILE A 97 -5.462 5.423 2.961 1.00 64.34 C ATOM 1459 C ILE A 97 -4.582 4.283 2.379 1.00 62.00 C ATOM 1460 O ILE A 97 -4.034 4.413 1.288 1.00 54.34 O ATOM 1461 CB ILE A 97 -6.731 5.715 2.052 1.00 61.53 C ATOM 1462 CG1 ILE A 97 -7.884 6.367 2.894 1.00 31.50 C ATOM 1463 CG2 ILE A 97 -7.231 4.476 1.284 1.00 43.21 C ATOM 1464 CD1 ILE A 97 -8.434 5.509 4.030 1.00 60.03 C ATOM 0 H ILE A 97 -4.975 7.403 2.468 1.00 52.43 H new ATOM 0 HA ILE A 97 -5.793 5.072 3.938 1.00 64.34 H new ATOM 0 HB ILE A 97 -6.408 6.427 1.293 1.00 61.53 H new ATOM 0 HG12 ILE A 97 -7.518 7.304 3.314 1.00 31.50 H new ATOM 0 HG13 ILE A 97 -8.704 6.618 2.221 1.00 31.50 H new ATOM 0 HG21 ILE A 97 -8.099 4.746 0.683 1.00 43.21 H new ATOM 0 HG22 ILE A 97 -6.439 4.108 0.632 1.00 43.21 H new ATOM 0 HG23 ILE A 97 -7.509 3.696 1.993 1.00 43.21 H new ATOM 0 HD11 ILE A 97 -9.225 6.053 4.547 1.00 60.03 H new ATOM 0 HD12 ILE A 97 -8.837 4.582 3.623 1.00 60.03 H new ATOM 0 HD13 ILE A 97 -7.633 5.279 4.733 1.00 60.03 H new ATOM 1476 N LEU A 98 -4.488 3.154 3.111 1.00 33.34 N ATOM 1477 CA LEU A 98 -3.692 1.977 2.691 1.00 43.21 C ATOM 1478 C LEU A 98 -4.620 0.845 2.188 1.00 64.03 C ATOM 1479 O LEU A 98 -5.518 0.378 2.914 1.00 50.23 O ATOM 1480 CB LEU A 98 -2.808 1.476 3.864 1.00 2.12 C ATOM 1481 CG LEU A 98 -1.950 0.192 3.583 1.00 0.43 C ATOM 1482 CD1 LEU A 98 -0.842 0.452 2.539 1.00 13.33 C ATOM 1483 CD2 LEU A 98 -1.372 -0.390 4.888 1.00 64.41 C ATOM 0 H LEU A 98 -4.959 3.030 4.007 1.00 33.34 H new ATOM 0 HA LEU A 98 -3.040 2.276 1.870 1.00 43.21 H new ATOM 0 HB2 LEU A 98 -2.134 2.282 4.154 1.00 2.12 H new ATOM 0 HB3 LEU A 98 -3.454 1.277 4.719 1.00 2.12 H new ATOM 0 HG LEU A 98 -2.619 -0.554 3.154 1.00 0.43 H new ATOM 0 HD11 LEU A 98 -0.274 -0.464 2.376 1.00 13.33 H new ATOM 0 HD12 LEU A 98 -1.294 0.770 1.600 1.00 13.33 H new ATOM 0 HD13 LEU A 98 -0.175 1.233 2.903 1.00 13.33 H new ATOM 0 HD21 LEU A 98 -0.783 -1.278 4.661 1.00 64.41 H new ATOM 0 HD22 LEU A 98 -0.736 0.354 5.368 1.00 64.41 H new ATOM 0 HD23 LEU A 98 -2.188 -0.658 5.560 1.00 64.41 H new ATOM 1495 N SER A 99 -4.374 0.399 0.948 1.00 32.14 N ATOM 1496 CA SER A 99 -5.141 -0.671 0.303 1.00 13.13 C ATOM 1497 C SER A 99 -4.245 -1.420 -0.713 1.00 60.35 C ATOM 1498 O SER A 99 -3.279 -0.845 -1.201 1.00 71.33 O ATOM 1499 CB SER A 99 -6.387 -0.073 -0.374 1.00 4.02 C ATOM 1500 OG SER A 99 -7.208 -1.075 -0.923 1.00 63.41 O ATOM 0 H SER A 99 -3.630 0.776 0.361 1.00 32.14 H new ATOM 0 HA SER A 99 -5.473 -1.393 1.049 1.00 13.13 H new ATOM 0 HB2 SER A 99 -6.955 0.506 0.354 1.00 4.02 H new ATOM 0 HB3 SER A 99 -6.079 0.617 -1.159 1.00 4.02 H new ATOM 0 HG SER A 99 -7.859 -1.368 -0.252 1.00 63.41 H new ATOM 1506 N MET A 100 -4.551 -2.706 -1.013 1.00 3.44 N ATOM 1507 CA MET A 100 -3.763 -3.514 -1.989 1.00 62.01 C ATOM 1508 C MET A 100 -4.288 -3.269 -3.410 1.00 54.12 C ATOM 1509 O MET A 100 -5.489 -3.172 -3.597 1.00 54.05 O ATOM 1510 CB MET A 100 -3.801 -5.035 -1.646 1.00 42.21 C ATOM 1511 CG MET A 100 -3.110 -5.403 -0.326 1.00 43.54 C ATOM 1512 SD MET A 100 -2.979 -7.179 -0.044 1.00 62.41 S ATOM 1513 CE MET A 100 -1.594 -7.632 -1.089 1.00 21.30 C ATOM 0 H MET A 100 -5.335 -3.209 -0.597 1.00 3.44 H new ATOM 0 HA MET A 100 -2.722 -3.195 -1.929 1.00 62.01 H new ATOM 0 HB2 MET A 100 -4.841 -5.359 -1.601 1.00 42.21 H new ATOM 0 HB3 MET A 100 -3.329 -5.590 -2.457 1.00 42.21 H new ATOM 0 HG2 MET A 100 -2.110 -4.968 -0.316 1.00 43.54 H new ATOM 0 HG3 MET A 100 -3.661 -4.953 0.500 1.00 43.54 H new ATOM 0 HE1 MET A 100 -1.444 -8.711 -1.047 1.00 21.30 H new ATOM 0 HE2 MET A 100 -1.801 -7.334 -2.117 1.00 21.30 H new ATOM 0 HE3 MET A 100 -0.694 -7.127 -0.739 1.00 21.30 H new ATOM 1523 N ALA A 101 -3.385 -3.194 -4.408 1.00 23.02 N ATOM 1524 CA ALA A 101 -3.743 -2.743 -5.779 1.00 41.22 C ATOM 1525 C ALA A 101 -4.560 -3.801 -6.553 1.00 23.13 C ATOM 1526 O ALA A 101 -4.584 -4.991 -6.178 1.00 2.24 O ATOM 1527 CB ALA A 101 -2.471 -2.333 -6.543 1.00 24.23 C ATOM 0 H ALA A 101 -2.401 -3.439 -4.296 1.00 23.02 H new ATOM 0 HA ALA A 101 -4.392 -1.872 -5.688 1.00 41.22 H new ATOM 0 HB1 ALA A 101 -2.740 -2.004 -7.547 1.00 24.23 H new ATOM 0 HB2 ALA A 101 -1.976 -1.519 -6.014 1.00 24.23 H new ATOM 0 HB3 ALA A 101 -1.796 -3.186 -6.610 1.00 24.23 H new ATOM 1533 N ASN A 102 -5.231 -3.348 -7.635 1.00 62.24 N ATOM 1534 CA ASN A 102 -6.155 -4.191 -8.415 1.00 5.14 C ATOM 1535 C ASN A 102 -6.418 -3.591 -9.809 1.00 22.41 C ATOM 1536 O ASN A 102 -6.057 -2.447 -10.086 1.00 42.45 O ATOM 1537 CB ASN A 102 -7.518 -4.363 -7.666 1.00 2.40 C ATOM 1538 CG ASN A 102 -8.442 -3.126 -7.716 1.00 64.42 C ATOM 1539 OD1 ASN A 102 -7.999 -1.976 -7.772 1.00 64.44 O ATOM 1540 ND2 ASN A 102 -9.742 -3.356 -7.656 1.00 43.25 N ATOM 0 H ASN A 102 -5.146 -2.395 -7.988 1.00 62.24 H new ATOM 0 HA ASN A 102 -5.680 -5.165 -8.533 1.00 5.14 H new ATOM 0 HB2 ASN A 102 -8.048 -5.213 -8.095 1.00 2.40 H new ATOM 0 HB3 ASN A 102 -7.316 -4.607 -6.623 1.00 2.40 H new ATOM 0 HD21 ASN A 102 -10.399 -2.575 -7.655 1.00 43.25 H new ATOM 0 HD22 ASN A 102 -10.089 -4.314 -7.610 1.00 43.25 H new ATOM 1547 N ALA A 103 -7.078 -4.389 -10.657 1.00 34.14 N ATOM 1548 CA ALA A 103 -7.630 -3.945 -11.953 1.00 23.42 C ATOM 1549 C ALA A 103 -9.165 -3.766 -11.858 1.00 30.31 C ATOM 1550 O ALA A 103 -9.764 -3.051 -12.670 1.00 22.12 O ATOM 1551 CB ALA A 103 -7.267 -4.969 -13.040 1.00 62.34 C ATOM 0 H ALA A 103 -7.249 -5.376 -10.464 1.00 34.14 H new ATOM 0 HA ALA A 103 -7.197 -2.980 -12.216 1.00 23.42 H new ATOM 0 HB1 ALA A 103 -7.674 -4.643 -13.997 1.00 62.34 H new ATOM 0 HB2 ALA A 103 -6.183 -5.051 -13.115 1.00 62.34 H new ATOM 0 HB3 ALA A 103 -7.687 -5.941 -12.779 1.00 62.34 H new ATOM 1557 N GLY A 104 -9.779 -4.408 -10.843 1.00 13.41 N ATOM 1558 CA GLY A 104 -11.236 -4.466 -10.678 1.00 4.12 C ATOM 1559 C GLY A 104 -11.641 -5.511 -9.627 1.00 52.13 C ATOM 1560 O GLY A 104 -10.876 -5.749 -8.685 1.00 44.22 O ATOM 0 H GLY A 104 -9.268 -4.903 -10.112 1.00 13.41 H new ATOM 0 HA2 GLY A 104 -11.609 -3.486 -10.381 1.00 4.12 H new ATOM 0 HA3 GLY A 104 -11.702 -4.709 -11.633 1.00 4.12 H new ATOM 1564 N PRO A 105 -12.856 -6.138 -9.721 1.00 32.30 N ATOM 1565 CA PRO A 105 -13.271 -7.237 -8.800 1.00 24.45 C ATOM 1566 C PRO A 105 -12.360 -8.479 -8.907 1.00 14.04 C ATOM 1567 O PRO A 105 -11.858 -8.782 -9.995 1.00 73.11 O ATOM 1568 CB PRO A 105 -14.721 -7.569 -9.252 1.00 73.14 C ATOM 1569 CG PRO A 105 -15.179 -6.345 -9.990 1.00 52.52 C ATOM 1570 CD PRO A 105 -13.941 -5.811 -10.686 1.00 3.33 C ATOM 0 HA PRO A 105 -13.202 -6.936 -7.755 1.00 24.45 H new ATOM 0 HB2 PRO A 105 -14.744 -8.450 -9.893 1.00 73.14 H new ATOM 0 HB3 PRO A 105 -15.364 -7.780 -8.397 1.00 73.14 H new ATOM 0 HG2 PRO A 105 -15.960 -6.589 -10.710 1.00 52.52 H new ATOM 0 HG3 PRO A 105 -15.595 -5.606 -9.306 1.00 52.52 H new ATOM 0 HD2 PRO A 105 -13.781 -6.290 -11.652 1.00 3.33 H new ATOM 0 HD3 PRO A 105 -14.010 -4.739 -10.869 1.00 3.33 H new ATOM 1578 N ASN A 106 -12.126 -9.145 -7.750 1.00 22.03 N ATOM 1579 CA ASN A 106 -11.365 -10.425 -7.644 1.00 50.22 C ATOM 1580 C ASN A 106 -9.858 -10.255 -7.994 1.00 73.43 C ATOM 1581 O ASN A 106 -9.117 -11.235 -8.097 1.00 52.32 O ATOM 1582 CB ASN A 106 -12.049 -11.538 -8.512 1.00 30.43 C ATOM 1583 CG ASN A 106 -11.504 -12.961 -8.304 1.00 70.42 C ATOM 1584 OD1 ASN A 106 -11.024 -13.310 -7.219 1.00 44.05 O ATOM 1585 ND2 ASN A 106 -11.573 -13.790 -9.340 1.00 62.23 N ATOM 0 H ASN A 106 -12.463 -8.808 -6.848 1.00 22.03 H new ATOM 0 HA ASN A 106 -11.393 -10.741 -6.601 1.00 50.22 H new ATOM 0 HB2 ASN A 106 -13.117 -11.540 -8.294 1.00 30.43 H new ATOM 0 HB3 ASN A 106 -11.939 -11.274 -9.564 1.00 30.43 H new ATOM 0 HD21 ASN A 106 -11.224 -14.745 -9.253 1.00 62.23 H new ATOM 0 HD22 ASN A 106 -11.975 -13.472 -10.222 1.00 62.23 H new ATOM 1592 N THR A 107 -9.393 -8.997 -8.137 1.00 33.03 N ATOM 1593 CA THR A 107 -7.979 -8.694 -8.424 1.00 53.12 C ATOM 1594 C THR A 107 -7.303 -7.946 -7.265 1.00 52.15 C ATOM 1595 O THR A 107 -6.124 -7.591 -7.374 1.00 71.42 O ATOM 1596 CB THR A 107 -7.822 -7.904 -9.765 1.00 43.14 C ATOM 1597 OG1 THR A 107 -8.615 -6.730 -9.734 1.00 54.24 O ATOM 1598 CG2 THR A 107 -8.221 -8.737 -10.992 1.00 43.24 C ATOM 0 H THR A 107 -9.984 -8.169 -8.057 1.00 33.03 H new ATOM 0 HA THR A 107 -7.469 -9.651 -8.536 1.00 53.12 H new ATOM 0 HB THR A 107 -6.765 -7.652 -9.857 1.00 43.14 H new ATOM 0 HG1 THR A 107 -9.508 -6.948 -9.395 1.00 54.24 H new ATOM 0 HG21 THR A 107 -8.092 -8.140 -11.895 1.00 43.24 H new ATOM 0 HG22 THR A 107 -7.590 -9.624 -11.051 1.00 43.24 H new ATOM 0 HG23 THR A 107 -9.264 -9.040 -10.903 1.00 43.24 H new ATOM 1606 N ASN A 108 -8.047 -7.727 -6.159 1.00 33.42 N ATOM 1607 CA ASN A 108 -7.494 -7.120 -4.934 1.00 44.04 C ATOM 1608 C ASN A 108 -6.572 -8.138 -4.246 1.00 50.22 C ATOM 1609 O ASN A 108 -6.950 -9.291 -4.075 1.00 32.23 O ATOM 1610 CB ASN A 108 -8.643 -6.669 -3.990 1.00 13.43 C ATOM 1611 CG ASN A 108 -8.173 -6.039 -2.662 1.00 41.23 C ATOM 1612 OD1 ASN A 108 -7.089 -5.463 -2.569 1.00 74.22 O ATOM 1613 ND2 ASN A 108 -9.009 -6.103 -1.640 1.00 31.15 N ATOM 0 H ASN A 108 -9.037 -7.964 -6.092 1.00 33.42 H new ATOM 0 HA ASN A 108 -6.913 -6.234 -5.188 1.00 44.04 H new ATOM 0 HB2 ASN A 108 -9.268 -5.948 -4.518 1.00 13.43 H new ATOM 0 HB3 ASN A 108 -9.271 -7.531 -3.766 1.00 13.43 H new ATOM 0 HD21 ASN A 108 -8.761 -5.670 -0.751 1.00 31.15 H new ATOM 0 HD22 ASN A 108 -9.902 -6.586 -1.741 1.00 31.15 H new ATOM 1620 N GLY A 109 -5.366 -7.705 -3.862 1.00 4.21 N ATOM 1621 CA GLY A 109 -4.365 -8.602 -3.272 1.00 22.24 C ATOM 1622 C GLY A 109 -3.155 -8.811 -4.163 1.00 32.10 C ATOM 1623 O GLY A 109 -2.447 -9.815 -4.026 1.00 44.13 O ATOM 0 H GLY A 109 -5.059 -6.736 -3.949 1.00 4.21 H new ATOM 0 HA2 GLY A 109 -4.038 -8.193 -2.316 1.00 22.24 H new ATOM 0 HA3 GLY A 109 -4.828 -9.567 -3.065 1.00 22.24 H new ATOM 1627 N SER A 110 -2.929 -7.863 -5.079 1.00 74.02 N ATOM 1628 CA SER A 110 -1.692 -7.776 -5.868 1.00 33.34 C ATOM 1629 C SER A 110 -1.109 -6.371 -5.670 1.00 33.30 C ATOM 1630 O SER A 110 -1.785 -5.396 -5.975 1.00 31.14 O ATOM 1631 CB SER A 110 -2.004 -8.064 -7.356 1.00 14.24 C ATOM 1632 OG SER A 110 -3.073 -7.259 -7.844 1.00 14.40 O ATOM 0 H SER A 110 -3.603 -7.129 -5.296 1.00 74.02 H new ATOM 0 HA SER A 110 -0.961 -8.516 -5.542 1.00 33.34 H new ATOM 0 HB2 SER A 110 -1.111 -7.883 -7.955 1.00 14.24 H new ATOM 0 HB3 SER A 110 -2.260 -9.117 -7.475 1.00 14.24 H new ATOM 0 HG SER A 110 -3.088 -6.407 -7.360 1.00 14.40 H new ATOM 1638 N GLN A 111 0.137 -6.282 -5.135 1.00 62.33 N ATOM 1639 CA GLN A 111 0.779 -5.002 -4.717 1.00 11.12 C ATOM 1640 C GLN A 111 0.005 -4.322 -3.562 1.00 4.21 C ATOM 1641 O GLN A 111 -1.035 -4.800 -3.127 1.00 62.32 O ATOM 1642 CB GLN A 111 0.939 -4.008 -5.912 1.00 74.45 C ATOM 1643 CG GLN A 111 1.896 -4.470 -7.016 1.00 73.32 C ATOM 1644 CD GLN A 111 1.869 -3.551 -8.224 1.00 45.20 C ATOM 1645 OE1 GLN A 111 2.600 -2.564 -8.281 1.00 42.12 O ATOM 1646 NE2 GLN A 111 1.006 -3.844 -9.184 1.00 62.35 N ATOM 0 H GLN A 111 0.729 -7.098 -4.980 1.00 62.33 H new ATOM 0 HA GLN A 111 1.774 -5.263 -4.358 1.00 11.12 H new ATOM 0 HB2 GLN A 111 -0.042 -3.833 -6.353 1.00 74.45 H new ATOM 0 HB3 GLN A 111 1.290 -3.052 -5.525 1.00 74.45 H new ATOM 0 HG2 GLN A 111 2.910 -4.515 -6.619 1.00 73.32 H new ATOM 0 HG3 GLN A 111 1.630 -5.481 -7.325 1.00 73.32 H new ATOM 0 HE21 GLN A 111 0.415 -4.671 -9.103 1.00 62.35 H new ATOM 0 HE22 GLN A 111 0.932 -3.242 -10.004 1.00 62.35 H new ATOM 1655 N PHE A 112 0.546 -3.197 -3.079 1.00 74.24 N ATOM 1656 CA PHE A 112 -0.083 -2.349 -2.047 1.00 50.02 C ATOM 1657 C PHE A 112 0.145 -0.882 -2.420 1.00 62.44 C ATOM 1658 O PHE A 112 1.061 -0.577 -3.188 1.00 10.42 O ATOM 1659 CB PHE A 112 0.495 -2.665 -0.633 1.00 74.21 C ATOM 1660 CG PHE A 112 2.016 -2.490 -0.503 1.00 45.50 C ATOM 1661 CD1 PHE A 112 2.890 -3.522 -0.865 1.00 64.33 C ATOM 1662 CD2 PHE A 112 2.573 -1.299 -0.021 1.00 42.23 C ATOM 1663 CE1 PHE A 112 4.261 -3.367 -0.750 1.00 70.51 C ATOM 1664 CE2 PHE A 112 3.945 -1.150 0.091 1.00 62.44 C ATOM 1665 CZ PHE A 112 4.787 -2.182 -0.273 1.00 44.41 C ATOM 0 H PHE A 112 1.447 -2.841 -3.396 1.00 74.24 H new ATOM 0 HA PHE A 112 -1.153 -2.554 -2.006 1.00 50.02 H new ATOM 0 HB2 PHE A 112 0.006 -2.019 0.096 1.00 74.21 H new ATOM 0 HB3 PHE A 112 0.238 -3.692 -0.372 1.00 74.21 H new ATOM 0 HD1 PHE A 112 2.489 -4.452 -1.239 1.00 64.33 H new ATOM 0 HD2 PHE A 112 1.924 -0.486 0.267 1.00 42.23 H new ATOM 0 HE1 PHE A 112 4.920 -4.174 -1.034 1.00 70.51 H new ATOM 0 HE2 PHE A 112 4.358 -0.224 0.464 1.00 62.44 H new ATOM 0 HZ PHE A 112 5.857 -2.063 -0.185 1.00 44.41 H new ATOM 1675 N PHE A 113 -0.677 0.022 -1.874 1.00 41.32 N ATOM 1676 CA PHE A 113 -0.551 1.465 -2.131 1.00 22.40 C ATOM 1677 C PHE A 113 -1.091 2.283 -0.961 1.00 11.43 C ATOM 1678 O PHE A 113 -1.982 1.837 -0.230 1.00 55.33 O ATOM 1679 CB PHE A 113 -1.254 1.885 -3.451 1.00 1.51 C ATOM 1680 CG PHE A 113 -2.768 1.688 -3.513 1.00 5.34 C ATOM 1681 CD1 PHE A 113 -3.646 2.685 -3.061 1.00 63.13 C ATOM 1682 CD2 PHE A 113 -3.317 0.528 -4.040 1.00 5.04 C ATOM 1683 CE1 PHE A 113 -5.008 2.518 -3.128 1.00 70.24 C ATOM 1684 CE2 PHE A 113 -4.685 0.369 -4.108 1.00 10.41 C ATOM 1685 CZ PHE A 113 -5.526 1.365 -3.657 1.00 32.21 C ATOM 0 H PHE A 113 -1.443 -0.221 -1.246 1.00 41.32 H new ATOM 0 HA PHE A 113 0.513 1.673 -2.240 1.00 22.40 H new ATOM 0 HB2 PHE A 113 -1.040 2.939 -3.631 1.00 1.51 H new ATOM 0 HB3 PHE A 113 -0.804 1.324 -4.270 1.00 1.51 H new ATOM 0 HD1 PHE A 113 -3.244 3.600 -2.653 1.00 63.13 H new ATOM 0 HD2 PHE A 113 -2.668 -0.257 -4.400 1.00 5.04 H new ATOM 0 HE1 PHE A 113 -5.668 3.292 -2.765 1.00 70.24 H new ATOM 0 HE2 PHE A 113 -5.100 -0.540 -4.517 1.00 10.41 H new ATOM 0 HZ PHE A 113 -6.596 1.236 -3.721 1.00 32.21 H new ATOM 1695 N ILE A 114 -0.556 3.502 -0.831 1.00 24.53 N ATOM 1696 CA ILE A 114 -0.974 4.478 0.167 1.00 15.51 C ATOM 1697 C ILE A 114 -1.475 5.725 -0.581 1.00 42.24 C ATOM 1698 O ILE A 114 -0.653 6.495 -1.111 1.00 21.40 O ATOM 1699 CB ILE A 114 0.224 4.904 1.103 1.00 24.20 C ATOM 1700 CG1 ILE A 114 1.092 3.679 1.539 1.00 13.41 C ATOM 1701 CG2 ILE A 114 -0.320 5.661 2.350 1.00 44.21 C ATOM 1702 CD1 ILE A 114 2.444 4.063 2.116 1.00 20.25 C ATOM 0 H ILE A 114 0.196 3.839 -1.432 1.00 24.53 H new ATOM 0 HA ILE A 114 -1.750 4.035 0.791 1.00 15.51 H new ATOM 0 HB ILE A 114 0.872 5.569 0.532 1.00 24.20 H new ATOM 0 HG12 ILE A 114 0.541 3.100 2.281 1.00 13.41 H new ATOM 0 HG13 ILE A 114 1.246 3.029 0.678 1.00 13.41 H new ATOM 0 HG21 ILE A 114 0.512 5.952 2.991 1.00 44.21 H new ATOM 0 HG22 ILE A 114 -0.859 6.552 2.028 1.00 44.21 H new ATOM 0 HG23 ILE A 114 -0.995 5.010 2.905 1.00 44.21 H new ATOM 0 HD11 ILE A 114 2.989 3.162 2.396 1.00 20.25 H new ATOM 0 HD12 ILE A 114 3.015 4.615 1.369 1.00 20.25 H new ATOM 0 HD13 ILE A 114 2.299 4.688 2.997 1.00 20.25 H new ATOM 1714 N CYS A 115 -2.804 5.890 -0.682 1.00 51.41 N ATOM 1715 CA CYS A 115 -3.412 7.134 -1.166 1.00 44.43 C ATOM 1716 C CYS A 115 -3.035 8.271 -0.203 1.00 24.11 C ATOM 1717 O CYS A 115 -3.565 8.343 0.905 1.00 25.31 O ATOM 1718 CB CYS A 115 -4.947 6.989 -1.267 1.00 63.53 C ATOM 1719 SG CYS A 115 -5.477 5.656 -2.355 1.00 50.30 S ATOM 0 H CYS A 115 -3.480 5.169 -0.432 1.00 51.41 H new ATOM 0 HA CYS A 115 -3.038 7.361 -2.165 1.00 44.43 H new ATOM 0 HB2 CYS A 115 -5.353 6.816 -0.270 1.00 63.53 H new ATOM 0 HB3 CYS A 115 -5.369 7.928 -1.625 1.00 63.53 H new ATOM 0 HG CYS A 115 -4.785 4.586 -2.099 1.00 50.30 H new ATOM 1725 N THR A 116 -2.097 9.125 -0.638 1.00 52.14 N ATOM 1726 CA THR A 116 -1.548 10.217 0.185 1.00 31.41 C ATOM 1727 C THR A 116 -2.608 11.297 0.411 1.00 32.31 C ATOM 1728 O THR A 116 -2.688 11.894 1.481 1.00 65.41 O ATOM 1729 CB THR A 116 -0.334 10.855 -0.547 1.00 63.01 C ATOM 1730 OG1 THR A 116 -0.776 11.303 -1.836 1.00 3.44 O ATOM 1731 CG2 THR A 116 0.837 9.874 -0.726 1.00 73.31 C ATOM 0 H THR A 116 -1.695 9.079 -1.574 1.00 52.14 H new ATOM 0 HA THR A 116 -1.238 9.808 1.147 1.00 31.41 H new ATOM 0 HB THR A 116 0.033 11.680 0.063 1.00 63.01 H new ATOM 0 HG1 THR A 116 -0.060 11.169 -2.492 1.00 3.44 H new ATOM 0 HG21 THR A 116 1.656 10.375 -1.243 1.00 73.31 H new ATOM 0 HG22 THR A 116 1.179 9.534 0.251 1.00 73.31 H new ATOM 0 HG23 THR A 116 0.507 9.017 -1.313 1.00 73.31 H new ATOM 1739 N ALA A 117 -3.432 11.496 -0.622 1.00 2.42 N ATOM 1740 CA ALA A 117 -4.588 12.391 -0.590 1.00 23.10 C ATOM 1741 C ALA A 117 -5.875 11.556 -0.568 1.00 33.11 C ATOM 1742 O ALA A 117 -5.839 10.335 -0.813 1.00 34.11 O ATOM 1743 CB ALA A 117 -4.558 13.323 -1.810 1.00 44.31 C ATOM 0 H ALA A 117 -3.310 11.029 -1.521 1.00 2.42 H new ATOM 0 HA ALA A 117 -4.556 13.007 0.309 1.00 23.10 H new ATOM 0 HB1 ALA A 117 -5.421 13.988 -1.781 1.00 44.31 H new ATOM 0 HB2 ALA A 117 -3.643 13.915 -1.793 1.00 44.31 H new ATOM 0 HB3 ALA A 117 -4.588 12.728 -2.723 1.00 44.31 H new ATOM 1749 N LYS A 118 -7.010 12.212 -0.271 1.00 51.31 N ATOM 1750 CA LYS A 118 -8.328 11.568 -0.323 1.00 14.05 C ATOM 1751 C LYS A 118 -8.758 11.365 -1.793 1.00 72.14 C ATOM 1752 O LYS A 118 -9.332 12.256 -2.440 1.00 3.10 O ATOM 1753 CB LYS A 118 -9.385 12.365 0.498 1.00 2.40 C ATOM 1754 CG LYS A 118 -9.558 13.854 0.108 1.00 75.21 C ATOM 1755 CD LYS A 118 -10.730 14.529 0.850 1.00 3.43 C ATOM 1756 CE LYS A 118 -12.088 13.869 0.542 1.00 1.02 C ATOM 1757 NZ LYS A 118 -13.210 14.539 1.255 1.00 41.43 N ATOM 0 H LYS A 118 -7.038 13.193 0.009 1.00 51.31 H new ATOM 0 HA LYS A 118 -8.257 10.585 0.144 1.00 14.05 H new ATOM 0 HB2 LYS A 118 -10.349 11.867 0.394 1.00 2.40 H new ATOM 0 HB3 LYS A 118 -9.112 12.314 1.552 1.00 2.40 H new ATOM 0 HG2 LYS A 118 -8.636 14.393 0.327 1.00 75.21 H new ATOM 0 HG3 LYS A 118 -9.723 13.927 -0.967 1.00 75.21 H new ATOM 0 HD2 LYS A 118 -10.546 14.489 1.924 1.00 3.43 H new ATOM 0 HD3 LYS A 118 -10.772 15.582 0.573 1.00 3.43 H new ATOM 0 HE2 LYS A 118 -12.271 13.901 -0.532 1.00 1.02 H new ATOM 0 HE3 LYS A 118 -12.053 12.818 0.828 1.00 1.02 H new ATOM 0 HZ1 LYS A 118 -14.104 14.063 1.019 1.00 41.43 H new ATOM 0 HZ2 LYS A 118 -13.050 14.487 2.281 1.00 41.43 H new ATOM 0 HZ3 LYS A 118 -13.261 15.536 0.963 1.00 41.43 H new ATOM 1771 N THR A 119 -8.411 10.194 -2.340 1.00 2.43 N ATOM 1772 CA THR A 119 -8.726 9.848 -3.726 1.00 23.22 C ATOM 1773 C THR A 119 -10.134 9.221 -3.780 1.00 62.54 C ATOM 1774 O THR A 119 -10.304 8.002 -3.848 1.00 4.42 O ATOM 1775 CB THR A 119 -7.621 8.880 -4.261 1.00 3.13 C ATOM 1776 OG1 THR A 119 -7.531 7.722 -3.403 1.00 34.43 O ATOM 1777 CG2 THR A 119 -6.241 9.570 -4.312 1.00 24.12 C ATOM 0 H THR A 119 -7.907 9.465 -1.835 1.00 2.43 H new ATOM 0 HA THR A 119 -8.736 10.731 -4.364 1.00 23.22 H new ATOM 0 HB THR A 119 -7.900 8.584 -5.272 1.00 3.13 H new ATOM 0 HG1 THR A 119 -6.607 7.395 -3.391 1.00 34.43 H new ATOM 0 HG21 THR A 119 -5.497 8.868 -4.689 1.00 24.12 H new ATOM 0 HG22 THR A 119 -6.291 10.435 -4.973 1.00 24.12 H new ATOM 0 HG23 THR A 119 -5.959 9.895 -3.310 1.00 24.12 H new ATOM 1785 N GLU A 120 -11.145 10.097 -3.823 1.00 41.43 N ATOM 1786 CA GLU A 120 -12.559 9.710 -3.619 1.00 11.10 C ATOM 1787 C GLU A 120 -13.185 9.090 -4.880 1.00 33.30 C ATOM 1788 O GLU A 120 -14.237 8.452 -4.808 1.00 12.11 O ATOM 1789 CB GLU A 120 -13.364 10.939 -3.138 1.00 41.22 C ATOM 1790 CG GLU A 120 -13.368 12.132 -4.121 1.00 44.24 C ATOM 1791 CD GLU A 120 -14.103 13.362 -3.576 1.00 22.53 C ATOM 1792 OE1 GLU A 120 -15.330 13.281 -3.369 1.00 3.12 O ATOM 1793 OE2 GLU A 120 -13.468 14.419 -3.375 1.00 32.40 O ATOM 0 H GLU A 120 -11.014 11.093 -3.999 1.00 41.43 H new ATOM 0 HA GLU A 120 -12.592 8.935 -2.853 1.00 11.10 H new ATOM 0 HB2 GLU A 120 -14.394 10.633 -2.955 1.00 41.22 H new ATOM 0 HB3 GLU A 120 -12.956 11.273 -2.184 1.00 41.22 H new ATOM 0 HG2 GLU A 120 -12.339 12.406 -4.354 1.00 44.24 H new ATOM 0 HG3 GLU A 120 -13.835 11.822 -5.056 1.00 44.24 H new ATOM 1800 N TRP A 121 -12.520 9.268 -6.035 1.00 31.44 N ATOM 1801 CA TRP A 121 -12.912 8.607 -7.301 1.00 51.03 C ATOM 1802 C TRP A 121 -12.585 7.098 -7.257 1.00 53.32 C ATOM 1803 O TRP A 121 -13.070 6.327 -8.089 1.00 11.51 O ATOM 1804 CB TRP A 121 -12.244 9.298 -8.522 1.00 12.20 C ATOM 1805 CG TRP A 121 -10.737 9.417 -8.434 1.00 64.32 C ATOM 1806 CD1 TRP A 121 -9.801 8.533 -8.899 1.00 21.01 C ATOM 1807 CD2 TRP A 121 -10.002 10.496 -7.838 1.00 4.13 C ATOM 1808 NE1 TRP A 121 -8.537 8.990 -8.617 1.00 35.34 N ATOM 1809 CE2 TRP A 121 -8.635 10.203 -7.981 1.00 2.32 C ATOM 1810 CE3 TRP A 121 -10.375 11.690 -7.206 1.00 20.04 C ATOM 1811 CZ2 TRP A 121 -7.641 11.050 -7.500 1.00 32.45 C ATOM 1812 CZ3 TRP A 121 -9.388 12.531 -6.736 1.00 21.14 C ATOM 1813 CH2 TRP A 121 -8.034 12.213 -6.894 1.00 4.13 C ATOM 0 H TRP A 121 -11.701 9.869 -6.122 1.00 31.44 H new ATOM 0 HA TRP A 121 -13.991 8.709 -7.417 1.00 51.03 H new ATOM 0 HB2 TRP A 121 -12.499 8.740 -9.423 1.00 12.20 H new ATOM 0 HB3 TRP A 121 -12.668 10.296 -8.635 1.00 12.20 H new ATOM 0 HD1 TRP A 121 -10.024 7.610 -9.413 1.00 21.01 H new ATOM 0 HE1 TRP A 121 -7.667 8.507 -8.843 1.00 35.34 H new ATOM 0 HE3 TRP A 121 -11.417 11.947 -7.089 1.00 20.04 H new ATOM 0 HZ2 TRP A 121 -6.596 10.798 -7.601 1.00 32.45 H new ATOM 0 HZ3 TRP A 121 -9.664 13.449 -6.238 1.00 21.14 H new ATOM 0 HH2 TRP A 121 -7.284 12.899 -6.530 1.00 4.13 H new ATOM 1824 N LEU A 122 -11.756 6.689 -6.274 1.00 20.23 N ATOM 1825 CA LEU A 122 -11.445 5.271 -6.021 1.00 43.41 C ATOM 1826 C LEU A 122 -12.467 4.643 -5.051 1.00 50.13 C ATOM 1827 O LEU A 122 -12.281 3.502 -4.608 1.00 70.04 O ATOM 1828 CB LEU A 122 -10.005 5.117 -5.463 1.00 71.14 C ATOM 1829 CG LEU A 122 -8.857 5.727 -6.323 1.00 14.34 C ATOM 1830 CD1 LEU A 122 -7.474 5.399 -5.713 1.00 54.12 C ATOM 1831 CD2 LEU A 122 -8.954 5.270 -7.796 1.00 51.33 C ATOM 0 H LEU A 122 -11.286 7.332 -5.637 1.00 20.23 H new ATOM 0 HA LEU A 122 -11.508 4.741 -6.971 1.00 43.41 H new ATOM 0 HB2 LEU A 122 -9.971 5.575 -4.475 1.00 71.14 H new ATOM 0 HB3 LEU A 122 -9.803 4.054 -5.329 1.00 71.14 H new ATOM 0 HG LEU A 122 -8.971 6.811 -6.314 1.00 14.34 H new ATOM 0 HD11 LEU A 122 -6.690 5.836 -6.332 1.00 54.12 H new ATOM 0 HD12 LEU A 122 -7.413 5.812 -4.706 1.00 54.12 H new ATOM 0 HD13 LEU A 122 -7.342 4.318 -5.671 1.00 54.12 H new ATOM 0 HD21 LEU A 122 -8.139 5.713 -8.369 1.00 51.33 H new ATOM 0 HD22 LEU A 122 -8.883 4.183 -7.845 1.00 51.33 H new ATOM 0 HD23 LEU A 122 -9.908 5.591 -8.214 1.00 51.33 H new ATOM 1843 N ASP A 123 -13.523 5.394 -4.699 1.00 44.34 N ATOM 1844 CA ASP A 123 -14.694 4.828 -4.005 1.00 52.24 C ATOM 1845 C ASP A 123 -15.567 4.129 -5.049 1.00 2.25 C ATOM 1846 O ASP A 123 -15.743 4.646 -6.153 1.00 40.14 O ATOM 1847 CB ASP A 123 -15.497 5.922 -3.255 1.00 22.15 C ATOM 1848 CG ASP A 123 -14.716 6.649 -2.144 1.00 1.14 C ATOM 1849 OD1 ASP A 123 -13.517 6.365 -1.922 1.00 21.42 O ATOM 1850 OD2 ASP A 123 -15.327 7.488 -1.458 1.00 21.42 O ATOM 0 H ASP A 123 -13.591 6.395 -4.883 1.00 44.34 H new ATOM 0 HA ASP A 123 -14.362 4.115 -3.250 1.00 52.24 H new ATOM 0 HB2 ASP A 123 -15.843 6.660 -3.979 1.00 22.15 H new ATOM 0 HB3 ASP A 123 -16.384 5.465 -2.817 1.00 22.15 H new ATOM 1855 N GLY A 124 -16.068 2.935 -4.714 1.00 4.40 N ATOM 1856 CA GLY A 124 -16.708 2.049 -5.700 1.00 64.02 C ATOM 1857 C GLY A 124 -15.719 1.026 -6.244 1.00 61.42 C ATOM 1858 O GLY A 124 -16.114 -0.030 -6.713 1.00 4.43 O ATOM 0 H GLY A 124 -16.044 2.557 -3.767 1.00 4.40 H new ATOM 0 HA2 GLY A 124 -17.550 1.534 -5.238 1.00 64.02 H new ATOM 0 HA3 GLY A 124 -17.109 2.643 -6.521 1.00 64.02 H new ATOM 1862 N LYS A 125 -14.413 1.368 -6.181 1.00 63.31 N ATOM 1863 CA LYS A 125 -13.298 0.437 -6.441 1.00 32.25 C ATOM 1864 C LYS A 125 -13.156 -0.502 -5.199 1.00 14.24 C ATOM 1865 O LYS A 125 -14.001 -0.477 -4.302 1.00 65.25 O ATOM 1866 CB LYS A 125 -11.990 1.271 -6.724 1.00 73.53 C ATOM 1867 CG LYS A 125 -10.825 0.520 -7.427 1.00 64.40 C ATOM 1868 CD LYS A 125 -11.132 0.162 -8.899 1.00 21.24 C ATOM 1869 CE LYS A 125 -11.220 1.408 -9.799 1.00 34.23 C ATOM 1870 NZ LYS A 125 -11.679 1.073 -11.170 1.00 13.31 N ATOM 0 H LYS A 125 -14.102 2.310 -5.945 1.00 63.31 H new ATOM 0 HA LYS A 125 -13.481 -0.183 -7.318 1.00 32.25 H new ATOM 0 HB2 LYS A 125 -12.260 2.131 -7.337 1.00 73.53 H new ATOM 0 HB3 LYS A 125 -11.621 1.659 -5.775 1.00 73.53 H new ATOM 0 HG2 LYS A 125 -9.928 1.138 -7.390 1.00 64.40 H new ATOM 0 HG3 LYS A 125 -10.605 -0.394 -6.876 1.00 64.40 H new ATOM 0 HD2 LYS A 125 -10.356 -0.503 -9.278 1.00 21.24 H new ATOM 0 HD3 LYS A 125 -12.073 -0.386 -8.948 1.00 21.24 H new ATOM 0 HE2 LYS A 125 -11.905 2.129 -9.354 1.00 34.23 H new ATOM 0 HE3 LYS A 125 -10.242 1.887 -9.851 1.00 34.23 H new ATOM 0 HZ1 LYS A 125 -11.724 1.940 -11.743 1.00 13.31 H new ATOM 0 HZ2 LYS A 125 -11.012 0.405 -11.606 1.00 13.31 H new ATOM 0 HZ3 LYS A 125 -12.623 0.639 -11.124 1.00 13.31 H new ATOM 1884 N HIS A 126 -12.071 -1.283 -5.126 1.00 2.43 N ATOM 1885 CA HIS A 126 -11.869 -2.316 -4.094 1.00 75.14 C ATOM 1886 C HIS A 126 -11.683 -1.692 -2.688 1.00 44.32 C ATOM 1887 O HIS A 126 -11.269 -0.525 -2.551 1.00 13.33 O ATOM 1888 CB HIS A 126 -10.626 -3.161 -4.458 1.00 41.14 C ATOM 1889 CG HIS A 126 -9.347 -2.402 -4.313 1.00 74.35 C ATOM 1890 ND1 HIS A 126 -8.963 -1.417 -5.188 1.00 73.10 N ATOM 1891 CD2 HIS A 126 -8.418 -2.413 -3.341 1.00 51.41 C ATOM 1892 CE1 HIS A 126 -7.863 -0.861 -4.764 1.00 14.03 C ATOM 1893 NE2 HIS A 126 -7.512 -1.440 -3.646 1.00 22.25 N ATOM 0 H HIS A 126 -11.298 -1.217 -5.788 1.00 2.43 H new ATOM 0 HA HIS A 126 -12.758 -2.946 -4.062 1.00 75.14 H new ATOM 0 HB2 HIS A 126 -10.593 -4.044 -3.820 1.00 41.14 H new ATOM 0 HB3 HIS A 126 -10.720 -3.513 -5.485 1.00 41.14 H new ATOM 0 HD2 HIS A 126 -8.394 -3.068 -2.482 1.00 51.41 H new ATOM 0 HE1 HIS A 126 -7.332 -0.058 -5.253 1.00 14.03 H new ATOM 0 HE2 HIS A 126 -6.691 -1.202 -3.090 1.00 22.25 H new ATOM 1902 N VAL A 127 -11.963 -2.519 -1.679 1.00 53.34 N ATOM 1903 CA VAL A 127 -12.008 -2.133 -0.261 1.00 2.32 C ATOM 1904 C VAL A 127 -10.613 -1.761 0.295 1.00 3.12 C ATOM 1905 O VAL A 127 -9.601 -2.398 -0.031 1.00 73.35 O ATOM 1906 CB VAL A 127 -12.619 -3.299 0.606 1.00 50.12 C ATOM 1907 CG1 VAL A 127 -12.772 -2.881 2.079 1.00 51.13 C ATOM 1908 CG2 VAL A 127 -13.969 -3.769 0.032 1.00 31.33 C ATOM 0 H VAL A 127 -12.172 -3.506 -1.827 1.00 53.34 H new ATOM 0 HA VAL A 127 -12.641 -1.248 -0.197 1.00 2.32 H new ATOM 0 HB VAL A 127 -11.922 -4.136 0.565 1.00 50.12 H new ATOM 0 HG11 VAL A 127 -13.196 -3.707 2.650 1.00 51.13 H new ATOM 0 HG12 VAL A 127 -11.795 -2.622 2.487 1.00 51.13 H new ATOM 0 HG13 VAL A 127 -13.434 -2.017 2.145 1.00 51.13 H new ATOM 0 HG21 VAL A 127 -14.367 -4.574 0.650 1.00 31.33 H new ATOM 0 HG22 VAL A 127 -14.671 -2.936 0.025 1.00 31.33 H new ATOM 0 HG23 VAL A 127 -13.825 -4.131 -0.986 1.00 31.33 H new ATOM 1918 N VAL A 128 -10.596 -0.712 1.135 1.00 42.24 N ATOM 1919 CA VAL A 128 -9.432 -0.298 1.942 1.00 2.21 C ATOM 1920 C VAL A 128 -9.349 -1.180 3.207 1.00 1.32 C ATOM 1921 O VAL A 128 -10.368 -1.691 3.661 1.00 52.41 O ATOM 1922 CB VAL A 128 -9.598 1.211 2.349 1.00 62.13 C ATOM 1923 CG1 VAL A 128 -8.436 1.721 3.229 1.00 50.22 C ATOM 1924 CG2 VAL A 128 -9.791 2.088 1.095 1.00 2.42 C ATOM 0 H VAL A 128 -11.410 -0.113 1.276 1.00 42.24 H new ATOM 0 HA VAL A 128 -8.516 -0.416 1.363 1.00 2.21 H new ATOM 0 HB VAL A 128 -10.495 1.286 2.964 1.00 62.13 H new ATOM 0 HG11 VAL A 128 -8.602 2.768 3.480 1.00 50.22 H new ATOM 0 HG12 VAL A 128 -8.387 1.132 4.145 1.00 50.22 H new ATOM 0 HG13 VAL A 128 -7.497 1.623 2.684 1.00 50.22 H new ATOM 0 HG21 VAL A 128 -9.905 3.130 1.394 1.00 2.42 H new ATOM 0 HG22 VAL A 128 -8.922 1.990 0.445 1.00 2.42 H new ATOM 0 HG23 VAL A 128 -10.683 1.765 0.559 1.00 2.42 H new ATOM 1934 N PHE A 129 -8.152 -1.354 3.793 1.00 63.52 N ATOM 1935 CA PHE A 129 -8.006 -2.151 5.036 1.00 55.43 C ATOM 1936 C PHE A 129 -7.179 -1.410 6.088 1.00 63.11 C ATOM 1937 O PHE A 129 -7.203 -1.776 7.265 1.00 61.34 O ATOM 1938 CB PHE A 129 -7.385 -3.538 4.730 1.00 54.12 C ATOM 1939 CG PHE A 129 -6.001 -3.477 4.096 1.00 31.02 C ATOM 1940 CD1 PHE A 129 -4.861 -3.287 4.875 1.00 44.22 C ATOM 1941 CD2 PHE A 129 -5.837 -3.592 2.727 1.00 21.10 C ATOM 1942 CE1 PHE A 129 -3.618 -3.209 4.304 1.00 61.40 C ATOM 1943 CE2 PHE A 129 -4.589 -3.522 2.165 1.00 33.01 C ATOM 1944 CZ PHE A 129 -3.479 -3.328 2.945 1.00 54.31 C ATOM 0 H PHE A 129 -7.280 -0.962 3.437 1.00 63.52 H new ATOM 0 HA PHE A 129 -9.004 -2.301 5.447 1.00 55.43 H new ATOM 0 HB2 PHE A 129 -7.323 -4.108 5.657 1.00 54.12 H new ATOM 0 HB3 PHE A 129 -8.053 -4.084 4.064 1.00 54.12 H new ATOM 0 HD1 PHE A 129 -4.959 -3.200 5.947 1.00 44.22 H new ATOM 0 HD2 PHE A 129 -6.701 -3.738 2.095 1.00 21.10 H new ATOM 0 HE1 PHE A 129 -2.748 -3.054 4.924 1.00 61.40 H new ATOM 0 HE2 PHE A 129 -4.479 -3.621 1.095 1.00 33.01 H new ATOM 0 HZ PHE A 129 -2.500 -3.269 2.492 1.00 54.31 H new ATOM 1954 N GLY A 130 -6.431 -0.386 5.648 1.00 73.13 N ATOM 1955 CA GLY A 130 -5.430 0.256 6.485 1.00 32.33 C ATOM 1956 C GLY A 130 -5.419 1.763 6.356 1.00 23.24 C ATOM 1957 O GLY A 130 -6.119 2.344 5.517 1.00 22.10 O ATOM 0 H GLY A 130 -6.508 0.010 4.711 1.00 73.13 H new ATOM 0 HA2 GLY A 130 -5.611 -0.011 7.526 1.00 32.33 H new ATOM 0 HA3 GLY A 130 -4.445 -0.131 6.223 1.00 32.33 H new ATOM 1961 N LYS A 131 -4.584 2.386 7.188 1.00 32.01 N ATOM 1962 CA LYS A 131 -4.428 3.839 7.263 1.00 61.13 C ATOM 1963 C LYS A 131 -3.087 4.143 7.948 1.00 53.43 C ATOM 1964 O LYS A 131 -2.765 3.514 8.958 1.00 0.13 O ATOM 1965 CB LYS A 131 -5.586 4.439 8.103 1.00 51.13 C ATOM 1966 CG LYS A 131 -5.544 5.980 8.300 1.00 51.44 C ATOM 1967 CD LYS A 131 -6.454 6.450 9.467 1.00 71.41 C ATOM 1968 CE LYS A 131 -5.981 5.881 10.825 1.00 44.11 C ATOM 1969 NZ LYS A 131 -6.819 6.338 11.969 1.00 61.35 N ATOM 0 H LYS A 131 -3.984 1.884 7.843 1.00 32.01 H new ATOM 0 HA LYS A 131 -4.449 4.275 6.264 1.00 61.13 H new ATOM 0 HB2 LYS A 131 -6.530 4.177 7.626 1.00 51.13 H new ATOM 0 HB3 LYS A 131 -5.583 3.965 9.085 1.00 51.13 H new ATOM 0 HG2 LYS A 131 -4.518 6.291 8.495 1.00 51.44 H new ATOM 0 HG3 LYS A 131 -5.857 6.471 7.378 1.00 51.44 H new ATOM 0 HD2 LYS A 131 -6.457 7.539 9.510 1.00 71.41 H new ATOM 0 HD3 LYS A 131 -7.480 6.135 9.278 1.00 71.41 H new ATOM 0 HE2 LYS A 131 -5.997 4.792 10.782 1.00 44.11 H new ATOM 0 HE3 LYS A 131 -4.947 6.178 10.997 1.00 44.11 H new ATOM 0 HZ1 LYS A 131 -6.866 5.587 12.687 1.00 61.35 H new ATOM 0 HZ2 LYS A 131 -6.399 7.192 12.388 1.00 61.35 H new ATOM 0 HZ3 LYS A 131 -7.779 6.554 11.632 1.00 61.35 H new ATOM 1983 N VAL A 132 -2.309 5.102 7.420 1.00 2.41 N ATOM 1984 CA VAL A 132 -1.083 5.558 8.091 1.00 31.22 C ATOM 1985 C VAL A 132 -1.465 6.399 9.339 1.00 62.14 C ATOM 1986 O VAL A 132 -2.330 7.286 9.271 1.00 32.41 O ATOM 1987 CB VAL A 132 -0.136 6.371 7.129 1.00 60.22 C ATOM 1988 CG1 VAL A 132 -0.790 7.663 6.620 1.00 13.43 C ATOM 1989 CG2 VAL A 132 1.219 6.672 7.799 1.00 61.23 C ATOM 0 H VAL A 132 -2.506 5.573 6.537 1.00 2.41 H new ATOM 0 HA VAL A 132 -0.519 4.678 8.401 1.00 31.22 H new ATOM 0 HB VAL A 132 0.044 5.737 6.261 1.00 60.22 H new ATOM 0 HG11 VAL A 132 -0.097 8.187 5.961 1.00 13.43 H new ATOM 0 HG12 VAL A 132 -1.699 7.419 6.070 1.00 13.43 H new ATOM 0 HG13 VAL A 132 -1.039 8.303 7.467 1.00 13.43 H new ATOM 0 HG21 VAL A 132 1.849 7.234 7.109 1.00 61.23 H new ATOM 0 HG22 VAL A 132 1.056 7.260 8.702 1.00 61.23 H new ATOM 0 HG23 VAL A 132 1.712 5.735 8.060 1.00 61.23 H new ATOM 1999 N LYS A 133 -0.848 6.079 10.477 1.00 11.34 N ATOM 2000 CA LYS A 133 -1.093 6.769 11.763 1.00 73.25 C ATOM 2001 C LYS A 133 0.183 7.481 12.236 1.00 10.00 C ATOM 2002 O LYS A 133 0.116 8.477 12.961 1.00 21.22 O ATOM 2003 CB LYS A 133 -1.606 5.750 12.811 1.00 35.34 C ATOM 2004 CG LYS A 133 -0.650 4.568 13.088 1.00 11.31 C ATOM 2005 CD LYS A 133 -1.290 3.476 13.967 1.00 71.02 C ATOM 2006 CE LYS A 133 -1.708 3.961 15.356 1.00 24.24 C ATOM 2007 NZ LYS A 133 -2.399 2.898 16.134 1.00 4.14 N ATOM 0 H LYS A 133 -0.158 5.330 10.542 1.00 11.34 H new ATOM 0 HA LYS A 133 -1.861 7.531 11.630 1.00 73.25 H new ATOM 0 HB2 LYS A 133 -1.792 6.276 13.748 1.00 35.34 H new ATOM 0 HB3 LYS A 133 -2.563 5.353 12.473 1.00 35.34 H new ATOM 0 HG2 LYS A 133 -0.338 4.129 12.140 1.00 11.31 H new ATOM 0 HG3 LYS A 133 0.250 4.941 13.577 1.00 11.31 H new ATOM 0 HD2 LYS A 133 -2.165 3.078 13.454 1.00 71.02 H new ATOM 0 HD3 LYS A 133 -0.584 2.653 14.078 1.00 71.02 H new ATOM 0 HE2 LYS A 133 -0.827 4.296 15.903 1.00 24.24 H new ATOM 0 HE3 LYS A 133 -2.367 4.823 15.256 1.00 24.24 H new ATOM 0 HZ1 LYS A 133 -2.277 3.077 17.151 1.00 4.14 H new ATOM 0 HZ2 LYS A 133 -3.413 2.901 15.902 1.00 4.14 H new ATOM 0 HZ3 LYS A 133 -1.992 1.972 15.894 1.00 4.14 H new ATOM 2021 N GLU A 134 1.343 6.946 11.809 1.00 54.15 N ATOM 2022 CA GLU A 134 2.673 7.523 12.060 1.00 43.13 C ATOM 2023 C GLU A 134 3.444 7.568 10.734 1.00 14.11 C ATOM 2024 O GLU A 134 3.496 6.560 10.031 1.00 15.51 O ATOM 2025 CB GLU A 134 3.459 6.664 13.089 1.00 10.12 C ATOM 2026 CG GLU A 134 2.841 6.590 14.504 1.00 32.34 C ATOM 2027 CD GLU A 134 2.822 7.945 15.232 1.00 14.13 C ATOM 2028 OE1 GLU A 134 3.890 8.581 15.339 1.00 32.12 O ATOM 2029 OE2 GLU A 134 1.749 8.388 15.691 1.00 51.11 O ATOM 0 H GLU A 134 1.380 6.082 11.268 1.00 54.15 H new ATOM 0 HA GLU A 134 2.559 8.527 12.468 1.00 43.13 H new ATOM 0 HB2 GLU A 134 3.549 5.651 12.697 1.00 10.12 H new ATOM 0 HB3 GLU A 134 4.470 7.064 13.173 1.00 10.12 H new ATOM 0 HG2 GLU A 134 1.821 6.212 14.428 1.00 32.34 H new ATOM 0 HG3 GLU A 134 3.403 5.872 15.101 1.00 32.34 H new ATOM 2036 N GLY A 135 4.027 8.728 10.400 1.00 50.02 N ATOM 2037 CA GLY A 135 4.872 8.866 9.207 1.00 62.05 C ATOM 2038 C GLY A 135 4.106 9.291 7.960 1.00 44.21 C ATOM 2039 O GLY A 135 4.534 8.980 6.849 1.00 41.32 O ATOM 0 H GLY A 135 3.928 9.586 10.942 1.00 50.02 H new ATOM 0 HA2 GLY A 135 5.654 9.598 9.409 1.00 62.05 H new ATOM 0 HA3 GLY A 135 5.368 7.915 9.012 1.00 62.05 H new ATOM 2043 N MET A 136 2.982 10.022 8.145 1.00 43.52 N ATOM 2044 CA MET A 136 2.187 10.602 7.032 1.00 74.32 C ATOM 2045 C MET A 136 3.058 11.553 6.183 1.00 45.42 C ATOM 2046 O MET A 136 3.046 11.487 4.949 1.00 14.22 O ATOM 2047 CB MET A 136 0.950 11.360 7.596 1.00 51.43 C ATOM 2048 CG MET A 136 0.020 12.047 6.560 1.00 74.54 C ATOM 2049 SD MET A 136 -1.018 10.910 5.597 1.00 45.32 S ATOM 2050 CE MET A 136 -0.024 10.556 4.144 1.00 4.12 C ATOM 0 H MET A 136 2.599 10.227 9.068 1.00 43.52 H new ATOM 0 HA MET A 136 1.840 9.790 6.392 1.00 74.32 H new ATOM 0 HB2 MET A 136 0.353 10.654 8.174 1.00 51.43 H new ATOM 0 HB3 MET A 136 1.305 12.121 8.291 1.00 51.43 H new ATOM 0 HG2 MET A 136 -0.626 12.751 7.084 1.00 74.54 H new ATOM 0 HG3 MET A 136 0.633 12.628 5.871 1.00 74.54 H new ATOM 0 HE1 MET A 136 -0.451 9.707 3.609 1.00 4.12 H new ATOM 0 HE2 MET A 136 -0.012 11.428 3.490 1.00 4.12 H new ATOM 0 HE3 MET A 136 0.995 10.318 4.449 1.00 4.12 H new ATOM 2060 N ASN A 137 3.855 12.393 6.879 1.00 52.24 N ATOM 2061 CA ASN A 137 4.786 13.350 6.242 1.00 4.25 C ATOM 2062 C ASN A 137 5.834 12.621 5.380 1.00 24.42 C ATOM 2063 O ASN A 137 6.200 13.103 4.312 1.00 21.34 O ATOM 2064 CB ASN A 137 5.508 14.212 7.307 1.00 40.44 C ATOM 2065 CG ASN A 137 4.561 15.108 8.115 1.00 30.35 C ATOM 2066 OD1 ASN A 137 4.046 14.706 9.159 1.00 73.54 O ATOM 2067 ND2 ASN A 137 4.322 16.325 7.650 1.00 73.11 N ATOM 0 H ASN A 137 3.871 12.427 7.898 1.00 52.24 H new ATOM 0 HA ASN A 137 4.191 13.999 5.599 1.00 4.25 H new ATOM 0 HB2 ASN A 137 6.045 13.555 7.991 1.00 40.44 H new ATOM 0 HB3 ASN A 137 6.253 14.836 6.813 1.00 40.44 H new ATOM 0 HD21 ASN A 137 3.699 16.952 8.159 1.00 73.11 H new ATOM 0 HD22 ASN A 137 4.761 16.635 6.783 1.00 73.11 H new ATOM 2074 N ILE A 138 6.289 11.446 5.861 1.00 13.43 N ATOM 2075 CA ILE A 138 7.302 10.617 5.171 1.00 22.44 C ATOM 2076 C ILE A 138 6.728 10.036 3.860 1.00 12.20 C ATOM 2077 O ILE A 138 7.415 10.010 2.834 1.00 70.31 O ATOM 2078 CB ILE A 138 7.797 9.439 6.095 1.00 42.10 C ATOM 2079 CG1 ILE A 138 8.313 9.973 7.475 1.00 41.52 C ATOM 2080 CG2 ILE A 138 8.872 8.568 5.391 1.00 75.13 C ATOM 2081 CD1 ILE A 138 9.505 10.920 7.413 1.00 35.01 C ATOM 0 H ILE A 138 5.965 11.043 6.740 1.00 13.43 H new ATOM 0 HA ILE A 138 8.150 11.260 4.938 1.00 22.44 H new ATOM 0 HB ILE A 138 6.936 8.799 6.288 1.00 42.10 H new ATOM 0 HG12 ILE A 138 7.491 10.485 7.976 1.00 41.52 H new ATOM 0 HG13 ILE A 138 8.583 9.119 8.096 1.00 41.52 H new ATOM 0 HG21 ILE A 138 9.187 7.768 6.060 1.00 75.13 H new ATOM 0 HG22 ILE A 138 8.453 8.137 4.482 1.00 75.13 H new ATOM 0 HG23 ILE A 138 9.732 9.187 5.136 1.00 75.13 H new ATOM 0 HD11 ILE A 138 9.778 11.227 8.422 1.00 35.01 H new ATOM 0 HD12 ILE A 138 10.349 10.412 6.947 1.00 35.01 H new ATOM 0 HD13 ILE A 138 9.241 11.799 6.825 1.00 35.01 H new ATOM 2093 N VAL A 139 5.458 9.585 3.921 1.00 71.13 N ATOM 2094 CA VAL A 139 4.728 9.043 2.756 1.00 24.43 C ATOM 2095 C VAL A 139 4.584 10.120 1.650 1.00 73.23 C ATOM 2096 O VAL A 139 4.818 9.859 0.463 1.00 73.34 O ATOM 2097 CB VAL A 139 3.301 8.506 3.171 1.00 24.24 C ATOM 2098 CG1 VAL A 139 2.520 7.970 1.954 1.00 30.25 C ATOM 2099 CG2 VAL A 139 3.406 7.415 4.261 1.00 53.22 C ATOM 0 H VAL A 139 4.909 9.586 4.781 1.00 71.13 H new ATOM 0 HA VAL A 139 5.309 8.208 2.365 1.00 24.43 H new ATOM 0 HB VAL A 139 2.750 9.352 3.582 1.00 24.24 H new ATOM 0 HG11 VAL A 139 1.544 7.609 2.278 1.00 30.25 H new ATOM 0 HG12 VAL A 139 2.388 8.770 1.226 1.00 30.25 H new ATOM 0 HG13 VAL A 139 3.076 7.151 1.497 1.00 30.25 H new ATOM 0 HG21 VAL A 139 2.407 7.067 4.524 1.00 53.22 H new ATOM 0 HG22 VAL A 139 3.994 6.579 3.883 1.00 53.22 H new ATOM 0 HG23 VAL A 139 3.891 7.829 5.145 1.00 53.22 H new ATOM 2109 N GLU A 140 4.231 11.338 2.076 1.00 40.32 N ATOM 2110 CA GLU A 140 4.084 12.501 1.177 1.00 50.14 C ATOM 2111 C GLU A 140 5.455 12.953 0.627 1.00 54.54 C ATOM 2112 O GLU A 140 5.564 13.376 -0.524 1.00 24.01 O ATOM 2113 CB GLU A 140 3.384 13.653 1.936 1.00 10.54 C ATOM 2114 CG GLU A 140 1.966 13.302 2.431 1.00 5.22 C ATOM 2115 CD GLU A 140 1.362 14.394 3.320 1.00 75.53 C ATOM 2116 OE1 GLU A 140 1.606 14.383 4.545 1.00 5.24 O ATOM 2117 OE2 GLU A 140 0.655 15.281 2.798 1.00 20.41 O ATOM 0 H GLU A 140 4.038 11.551 3.055 1.00 40.32 H new ATOM 0 HA GLU A 140 3.470 12.214 0.323 1.00 50.14 H new ATOM 0 HB2 GLU A 140 3.997 13.937 2.791 1.00 10.54 H new ATOM 0 HB3 GLU A 140 3.325 14.523 1.282 1.00 10.54 H new ATOM 0 HG2 GLU A 140 1.316 13.138 1.572 1.00 5.22 H new ATOM 0 HG3 GLU A 140 2.001 12.365 2.987 1.00 5.22 H new ATOM 2124 N ALA A 141 6.500 12.816 1.458 1.00 72.33 N ATOM 2125 CA ALA A 141 7.875 13.219 1.106 1.00 3.21 C ATOM 2126 C ALA A 141 8.508 12.252 0.095 1.00 21.33 C ATOM 2127 O ALA A 141 9.306 12.670 -0.757 1.00 12.52 O ATOM 2128 CB ALA A 141 8.736 13.316 2.372 1.00 53.22 C ATOM 0 H ALA A 141 6.418 12.422 2.395 1.00 72.33 H new ATOM 0 HA ALA A 141 7.826 14.200 0.633 1.00 3.21 H new ATOM 0 HB1 ALA A 141 9.749 13.614 2.101 1.00 53.22 H new ATOM 0 HB2 ALA A 141 8.308 14.057 3.047 1.00 53.22 H new ATOM 0 HB3 ALA A 141 8.764 12.346 2.868 1.00 53.22 H new ATOM 2134 N MET A 142 8.155 10.955 0.197 1.00 3.01 N ATOM 2135 CA MET A 142 8.651 9.926 -0.733 1.00 42.25 C ATOM 2136 C MET A 142 7.862 9.971 -2.054 1.00 54.05 C ATOM 2137 O MET A 142 8.399 9.610 -3.107 1.00 64.54 O ATOM 2138 CB MET A 142 8.613 8.502 -0.109 1.00 15.15 C ATOM 2139 CG MET A 142 7.225 7.864 0.039 1.00 52.43 C ATOM 2140 SD MET A 142 7.306 6.163 0.626 1.00 34.12 S ATOM 2141 CE MET A 142 5.579 5.777 0.881 1.00 72.01 C ATOM 0 H MET A 142 7.527 10.597 0.916 1.00 3.01 H new ATOM 0 HA MET A 142 9.697 10.151 -0.942 1.00 42.25 H new ATOM 0 HB2 MET A 142 9.229 7.843 -0.721 1.00 15.15 H new ATOM 0 HB3 MET A 142 9.076 8.547 0.877 1.00 15.15 H new ATOM 0 HG2 MET A 142 6.629 8.456 0.733 1.00 52.43 H new ATOM 0 HG3 MET A 142 6.713 7.889 -0.923 1.00 52.43 H new ATOM 0 HE1 MET A 142 5.403 4.727 0.650 1.00 72.01 H new ATOM 0 HE2 MET A 142 5.313 5.969 1.920 1.00 72.01 H new ATOM 0 HE3 MET A 142 4.967 6.400 0.229 1.00 72.01 H new ATOM 2151 N GLU A 143 6.590 10.444 -1.988 1.00 1.20 N ATOM 2152 CA GLU A 143 5.733 10.627 -3.183 1.00 20.34 C ATOM 2153 C GLU A 143 6.366 11.602 -4.190 1.00 23.30 C ATOM 2154 O GLU A 143 6.155 11.487 -5.404 1.00 73.00 O ATOM 2155 CB GLU A 143 4.325 11.147 -2.798 1.00 42.44 C ATOM 2156 CG GLU A 143 3.359 11.236 -4.004 1.00 62.21 C ATOM 2157 CD GLU A 143 2.049 11.959 -3.713 1.00 41.45 C ATOM 2158 OE1 GLU A 143 2.085 13.095 -3.200 1.00 72.15 O ATOM 2159 OE2 GLU A 143 0.987 11.412 -4.015 1.00 73.05 O ATOM 0 H GLU A 143 6.136 10.706 -1.113 1.00 1.20 H new ATOM 0 HA GLU A 143 5.639 9.645 -3.647 1.00 20.34 H new ATOM 0 HB2 GLU A 143 3.895 10.488 -2.044 1.00 42.44 H new ATOM 0 HB3 GLU A 143 4.420 12.133 -2.343 1.00 42.44 H new ATOM 0 HG2 GLU A 143 3.867 11.746 -4.823 1.00 62.21 H new ATOM 0 HG3 GLU A 143 3.134 10.227 -4.348 1.00 62.21 H new ATOM 2166 N ARG A 144 7.157 12.544 -3.660 1.00 10.42 N ATOM 2167 CA ARG A 144 7.827 13.584 -4.450 1.00 12.24 C ATOM 2168 C ARG A 144 8.874 13.000 -5.422 1.00 64.05 C ATOM 2169 O ARG A 144 9.221 13.642 -6.414 1.00 52.44 O ATOM 2170 CB ARG A 144 8.468 14.617 -3.496 1.00 72.44 C ATOM 2171 CG ARG A 144 7.448 15.380 -2.619 1.00 64.20 C ATOM 2172 CD ARG A 144 8.120 16.421 -1.710 1.00 44.31 C ATOM 2173 NE ARG A 144 8.935 17.385 -2.477 1.00 63.31 N ATOM 2174 CZ ARG A 144 9.820 18.254 -1.955 1.00 32.13 C ATOM 2175 NH1 ARG A 144 10.028 18.319 -0.638 1.00 51.11 N ATOM 2176 NH2 ARG A 144 10.515 19.039 -2.767 1.00 64.21 N ATOM 0 H ARG A 144 7.351 12.606 -2.661 1.00 10.42 H new ATOM 0 HA ARG A 144 7.077 14.077 -5.069 1.00 12.24 H new ATOM 0 HB2 ARG A 144 9.179 14.105 -2.847 1.00 72.44 H new ATOM 0 HB3 ARG A 144 9.036 15.337 -4.085 1.00 72.44 H new ATOM 0 HG2 ARG A 144 6.721 15.878 -3.261 1.00 64.20 H new ATOM 0 HG3 ARG A 144 6.896 14.668 -2.005 1.00 64.20 H new ATOM 0 HD2 ARG A 144 7.356 16.959 -1.149 1.00 44.31 H new ATOM 0 HD3 ARG A 144 8.751 15.912 -0.982 1.00 44.31 H new ATOM 0 HE ARG A 144 8.817 17.393 -3.490 1.00 63.31 H new ATOM 0 HH11 ARG A 144 9.512 17.704 -0.009 1.00 51.11 H new ATOM 0 HH12 ARG A 144 10.703 18.984 -0.260 1.00 51.11 H new ATOM 0 HH21 ARG A 144 10.376 18.980 -3.776 1.00 64.21 H new ATOM 0 HH22 ARG A 144 11.189 19.702 -2.383 1.00 64.21 H new ATOM 2190 N PHE A 145 9.359 11.774 -5.137 1.00 51.42 N ATOM 2191 CA PHE A 145 10.292 11.061 -6.034 1.00 14.04 C ATOM 2192 C PHE A 145 9.538 10.360 -7.188 1.00 33.51 C ATOM 2193 O PHE A 145 10.157 9.934 -8.156 1.00 3.42 O ATOM 2194 CB PHE A 145 11.144 10.039 -5.238 1.00 1.13 C ATOM 2195 CG PHE A 145 11.997 10.670 -4.132 1.00 71.12 C ATOM 2196 CD1 PHE A 145 13.118 11.439 -4.446 1.00 31.22 C ATOM 2197 CD2 PHE A 145 11.683 10.492 -2.782 1.00 15.14 C ATOM 2198 CE1 PHE A 145 13.893 12.008 -3.450 1.00 31.12 C ATOM 2199 CE2 PHE A 145 12.456 11.062 -1.788 1.00 45.22 C ATOM 2200 CZ PHE A 145 13.562 11.817 -2.122 1.00 41.25 C ATOM 0 H PHE A 145 9.119 11.256 -4.291 1.00 51.42 H new ATOM 0 HA PHE A 145 10.961 11.801 -6.474 1.00 14.04 H new ATOM 0 HB2 PHE A 145 10.481 9.296 -4.793 1.00 1.13 H new ATOM 0 HB3 PHE A 145 11.798 9.509 -5.930 1.00 1.13 H new ATOM 0 HD1 PHE A 145 13.385 11.593 -5.481 1.00 31.22 H new ATOM 0 HD2 PHE A 145 10.822 9.899 -2.511 1.00 15.14 H new ATOM 0 HE1 PHE A 145 14.757 12.601 -3.711 1.00 31.12 H new ATOM 0 HE2 PHE A 145 12.195 10.917 -0.750 1.00 45.22 H new ATOM 0 HZ PHE A 145 14.169 12.259 -1.345 1.00 41.25 H new ATOM 2210 N GLY A 146 8.202 10.264 -7.077 1.00 32.55 N ATOM 2211 CA GLY A 146 7.371 9.635 -8.109 1.00 23.45 C ATOM 2212 C GLY A 146 7.263 10.450 -9.400 1.00 55.41 C ATOM 2213 O GLY A 146 7.642 11.623 -9.441 1.00 43.05 O ATOM 0 H GLY A 146 7.676 10.617 -6.278 1.00 32.55 H new ATOM 0 HA2 GLY A 146 7.782 8.653 -8.344 1.00 23.45 H new ATOM 0 HA3 GLY A 146 6.370 9.474 -7.708 1.00 23.45 H new ATOM 2217 N SER A 147 6.757 9.805 -10.459 1.00 74.14 N ATOM 2218 CA SER A 147 6.574 10.410 -11.796 1.00 52.43 C ATOM 2219 C SER A 147 5.181 10.043 -12.348 1.00 74.30 C ATOM 2220 O SER A 147 4.575 9.074 -11.896 1.00 33.15 O ATOM 2221 CB SER A 147 7.690 9.919 -12.746 1.00 45.33 C ATOM 2222 OG SER A 147 8.971 10.091 -12.166 1.00 43.51 O ATOM 0 H SER A 147 6.456 8.831 -10.416 1.00 74.14 H new ATOM 0 HA SER A 147 6.638 11.495 -11.719 1.00 52.43 H new ATOM 0 HB2 SER A 147 7.533 8.866 -12.982 1.00 45.33 H new ATOM 0 HB3 SER A 147 7.637 10.467 -13.687 1.00 45.33 H new ATOM 0 HG SER A 147 9.144 9.362 -11.534 1.00 43.51 H new ATOM 2228 N ARG A 148 4.705 10.806 -13.347 1.00 70.54 N ATOM 2229 CA ARG A 148 3.356 10.632 -13.941 1.00 13.13 C ATOM 2230 C ARG A 148 3.226 9.314 -14.733 1.00 63.31 C ATOM 2231 O ARG A 148 2.122 8.779 -14.873 1.00 45.24 O ATOM 2232 CB ARG A 148 2.998 11.843 -14.849 1.00 11.34 C ATOM 2233 CG ARG A 148 2.852 13.183 -14.096 1.00 11.34 C ATOM 2234 CD ARG A 148 1.758 13.134 -13.011 1.00 41.12 C ATOM 2235 NE ARG A 148 1.539 14.444 -12.376 1.00 40.32 N ATOM 2236 CZ ARG A 148 0.564 15.300 -12.697 1.00 13.54 C ATOM 2237 NH1 ARG A 148 -0.307 15.021 -13.666 1.00 10.43 N ATOM 2238 NH2 ARG A 148 0.452 16.437 -12.029 1.00 4.24 N ATOM 0 H ARG A 148 5.241 11.564 -13.770 1.00 70.54 H new ATOM 0 HA ARG A 148 2.649 10.582 -13.113 1.00 13.13 H new ATOM 0 HB2 ARG A 148 3.770 11.951 -15.611 1.00 11.34 H new ATOM 0 HB3 ARG A 148 2.064 11.628 -15.369 1.00 11.34 H new ATOM 0 HG2 ARG A 148 3.805 13.443 -13.635 1.00 11.34 H new ATOM 0 HG3 ARG A 148 2.617 13.973 -14.809 1.00 11.34 H new ATOM 0 HD2 ARG A 148 0.825 12.788 -13.455 1.00 41.12 H new ATOM 0 HD3 ARG A 148 2.038 12.406 -12.249 1.00 41.12 H new ATOM 0 HE ARG A 148 2.181 14.720 -11.633 1.00 40.32 H new ATOM 0 HH11 ARG A 148 -0.236 14.141 -14.177 1.00 10.43 H new ATOM 0 HH12 ARG A 148 -1.044 15.687 -13.896 1.00 10.43 H new ATOM 0 HH21 ARG A 148 1.106 16.653 -11.277 1.00 4.24 H new ATOM 0 HH22 ARG A 148 -0.289 17.097 -12.266 1.00 4.24 H new ATOM 2252 N ASN A 149 4.362 8.806 -15.251 1.00 61.35 N ATOM 2253 CA ASN A 149 4.416 7.500 -15.957 1.00 53.45 C ATOM 2254 C ASN A 149 4.568 6.327 -14.964 1.00 23.54 C ATOM 2255 O ASN A 149 4.648 5.165 -15.380 1.00 65.41 O ATOM 2256 CB ASN A 149 5.568 7.482 -17.004 1.00 32.10 C ATOM 2257 CG ASN A 149 6.974 7.615 -16.402 1.00 2.22 C ATOM 2258 OD1 ASN A 149 7.166 8.221 -15.352 1.00 70.24 O ATOM 2259 ND2 ASN A 149 7.969 7.058 -17.072 1.00 62.33 N ATOM 0 H ASN A 149 5.263 9.281 -15.195 1.00 61.35 H new ATOM 0 HA ASN A 149 3.470 7.373 -16.483 1.00 53.45 H new ATOM 0 HB2 ASN A 149 5.514 6.551 -17.569 1.00 32.10 H new ATOM 0 HB3 ASN A 149 5.411 8.295 -17.713 1.00 32.10 H new ATOM 0 HD21 ASN A 149 8.923 7.126 -16.718 1.00 62.33 H new ATOM 0 HD22 ASN A 149 7.782 6.560 -17.942 1.00 62.33 H new ATOM 2266 N GLY A 150 4.617 6.648 -13.655 1.00 55.01 N ATOM 2267 CA GLY A 150 4.747 5.647 -12.594 1.00 3.43 C ATOM 2268 C GLY A 150 6.188 5.434 -12.151 1.00 4.22 C ATOM 2269 O GLY A 150 6.428 4.710 -11.185 1.00 33.14 O ATOM 0 H GLY A 150 4.567 7.607 -13.312 1.00 55.01 H new ATOM 0 HA2 GLY A 150 4.151 5.956 -11.736 1.00 3.43 H new ATOM 0 HA3 GLY A 150 4.336 4.700 -12.943 1.00 3.43 H new ATOM 2273 N LYS A 151 7.148 6.072 -12.854 1.00 33.40 N ATOM 2274 CA LYS A 151 8.585 5.959 -12.539 1.00 64.22 C ATOM 2275 C LYS A 151 8.891 6.522 -11.137 1.00 61.23 C ATOM 2276 O LYS A 151 8.307 7.518 -10.717 1.00 34.25 O ATOM 2277 CB LYS A 151 9.432 6.717 -13.606 1.00 63.23 C ATOM 2278 CG LYS A 151 10.928 6.895 -13.238 1.00 30.52 C ATOM 2279 CD LYS A 151 11.706 7.761 -14.249 1.00 52.13 C ATOM 2280 CE LYS A 151 13.099 8.166 -13.726 1.00 64.31 C ATOM 2281 NZ LYS A 151 13.928 6.992 -13.336 1.00 50.00 N ATOM 0 H LYS A 151 6.949 6.676 -13.651 1.00 33.40 H new ATOM 0 HA LYS A 151 8.849 4.902 -12.552 1.00 64.22 H new ATOM 0 HB2 LYS A 151 9.366 6.179 -14.552 1.00 63.23 H new ATOM 0 HB3 LYS A 151 8.992 7.701 -13.768 1.00 63.23 H new ATOM 0 HG2 LYS A 151 11.000 7.349 -12.250 1.00 30.52 H new ATOM 0 HG3 LYS A 151 11.398 5.914 -13.173 1.00 30.52 H new ATOM 0 HD2 LYS A 151 11.817 7.212 -15.184 1.00 52.13 H new ATOM 0 HD3 LYS A 151 11.130 8.659 -14.473 1.00 52.13 H new ATOM 0 HE2 LYS A 151 13.621 8.735 -14.496 1.00 64.31 H new ATOM 0 HE3 LYS A 151 12.982 8.826 -12.866 1.00 64.31 H new ATOM 0 HZ1 LYS A 151 14.887 7.311 -13.089 1.00 50.00 H new ATOM 0 HZ2 LYS A 151 13.497 6.520 -12.515 1.00 50.00 H new ATOM 0 HZ3 LYS A 151 13.980 6.324 -14.131 1.00 50.00 H new ATOM 2295 N THR A 152 9.792 5.852 -10.421 1.00 22.23 N ATOM 2296 CA THR A 152 10.410 6.382 -9.207 1.00 3.11 C ATOM 2297 C THR A 152 11.837 6.862 -9.545 1.00 4.32 C ATOM 2298 O THR A 152 12.602 6.162 -10.233 1.00 20.12 O ATOM 2299 CB THR A 152 10.420 5.304 -8.076 1.00 71.42 C ATOM 2300 OG1 THR A 152 10.970 4.073 -8.573 1.00 44.03 O ATOM 2301 CG2 THR A 152 9.006 5.042 -7.527 1.00 33.30 C ATOM 0 H THR A 152 10.117 4.917 -10.669 1.00 22.23 H new ATOM 0 HA THR A 152 9.830 7.227 -8.836 1.00 3.11 H new ATOM 0 HB THR A 152 11.038 5.688 -7.264 1.00 71.42 H new ATOM 0 HG1 THR A 152 10.974 3.404 -7.857 1.00 44.03 H new ATOM 0 HG21 THR A 152 9.054 4.287 -6.743 1.00 33.30 H new ATOM 0 HG22 THR A 152 8.598 5.966 -7.117 1.00 33.30 H new ATOM 0 HG23 THR A 152 8.363 4.688 -8.333 1.00 33.30 H new ATOM 2309 N SER A 153 12.159 8.084 -9.100 1.00 20.35 N ATOM 2310 CA SER A 153 13.483 8.702 -9.286 1.00 12.11 C ATOM 2311 C SER A 153 14.522 8.034 -8.379 1.00 1.33 C ATOM 2312 O SER A 153 15.724 8.094 -8.639 1.00 1.42 O ATOM 2313 CB SER A 153 13.405 10.216 -8.978 1.00 45.02 C ATOM 2314 OG SER A 153 12.363 10.829 -9.713 1.00 5.25 O ATOM 0 H SER A 153 11.502 8.679 -8.595 1.00 20.35 H new ATOM 0 HA SER A 153 13.790 8.563 -10.323 1.00 12.11 H new ATOM 0 HB2 SER A 153 13.239 10.366 -7.911 1.00 45.02 H new ATOM 0 HB3 SER A 153 14.355 10.690 -9.223 1.00 45.02 H new ATOM 0 HG SER A 153 11.501 10.614 -9.299 1.00 5.25 H new ATOM 2320 N LYS A 154 14.017 7.423 -7.297 1.00 53.40 N ATOM 2321 CA LYS A 154 14.804 6.737 -6.264 1.00 70.41 C ATOM 2322 C LYS A 154 14.128 5.401 -5.954 1.00 40.00 C ATOM 2323 O LYS A 154 12.889 5.333 -5.951 1.00 73.44 O ATOM 2324 CB LYS A 154 14.864 7.615 -4.985 1.00 23.01 C ATOM 2325 CG LYS A 154 15.469 9.023 -5.203 1.00 0.04 C ATOM 2326 CD LYS A 154 16.958 8.980 -5.584 1.00 72.21 C ATOM 2327 CE LYS A 154 17.542 10.349 -5.938 1.00 11.43 C ATOM 2328 NZ LYS A 154 19.015 10.262 -6.113 1.00 41.22 N ATOM 0 H LYS A 154 13.014 7.392 -7.112 1.00 53.40 H new ATOM 0 HA LYS A 154 15.822 6.565 -6.614 1.00 70.41 H new ATOM 0 HB2 LYS A 154 13.855 7.724 -4.586 1.00 23.01 H new ATOM 0 HB3 LYS A 154 15.451 7.094 -4.229 1.00 23.01 H new ATOM 0 HG2 LYS A 154 14.913 9.535 -5.988 1.00 0.04 H new ATOM 0 HG3 LYS A 154 15.349 9.610 -4.293 1.00 0.04 H new ATOM 0 HD2 LYS A 154 17.524 8.557 -4.754 1.00 72.21 H new ATOM 0 HD3 LYS A 154 17.087 8.309 -6.433 1.00 72.21 H new ATOM 0 HE2 LYS A 154 17.083 10.720 -6.855 1.00 11.43 H new ATOM 0 HE3 LYS A 154 17.306 11.065 -5.151 1.00 11.43 H new ATOM 0 HZ1 LYS A 154 19.392 11.201 -6.353 1.00 41.22 H new ATOM 0 HZ2 LYS A 154 19.451 9.929 -5.229 1.00 41.22 H new ATOM 0 HZ3 LYS A 154 19.235 9.595 -6.880 1.00 41.22 H new ATOM 2342 N LYS A 155 14.918 4.346 -5.688 1.00 21.05 N ATOM 2343 CA LYS A 155 14.366 3.035 -5.332 1.00 3.43 C ATOM 2344 C LYS A 155 13.845 3.090 -3.890 1.00 53.43 C ATOM 2345 O LYS A 155 14.570 2.804 -2.935 1.00 13.03 O ATOM 2346 CB LYS A 155 15.429 1.911 -5.499 1.00 71.32 C ATOM 2347 CG LYS A 155 14.901 0.473 -5.242 1.00 32.33 C ATOM 2348 CD LYS A 155 13.754 0.057 -6.200 1.00 71.20 C ATOM 2349 CE LYS A 155 14.159 0.096 -7.683 1.00 13.03 C ATOM 2350 NZ LYS A 155 15.296 -0.816 -7.974 1.00 3.24 N ATOM 0 H LYS A 155 15.937 4.379 -5.714 1.00 21.05 H new ATOM 0 HA LYS A 155 13.543 2.798 -6.006 1.00 3.43 H new ATOM 0 HB2 LYS A 155 15.833 1.959 -6.510 1.00 71.32 H new ATOM 0 HB3 LYS A 155 16.255 2.107 -4.816 1.00 71.32 H new ATOM 0 HG2 LYS A 155 15.725 -0.233 -5.346 1.00 32.33 H new ATOM 0 HG3 LYS A 155 14.549 0.402 -4.213 1.00 32.33 H new ATOM 0 HD2 LYS A 155 13.425 -0.951 -5.946 1.00 71.20 H new ATOM 0 HD3 LYS A 155 12.902 0.719 -6.045 1.00 71.20 H new ATOM 0 HE2 LYS A 155 13.304 -0.182 -8.300 1.00 13.03 H new ATOM 0 HE3 LYS A 155 14.432 1.115 -7.958 1.00 13.03 H new ATOM 0 HZ1 LYS A 155 15.493 -0.810 -8.995 1.00 3.24 H new ATOM 0 HZ2 LYS A 155 16.139 -0.495 -7.457 1.00 3.24 H new ATOM 0 HZ3 LYS A 155 15.052 -1.781 -7.674 1.00 3.24 H new ATOM 2364 N ILE A 156 12.574 3.464 -3.746 1.00 30.44 N ATOM 2365 CA ILE A 156 11.923 3.568 -2.444 1.00 31.31 C ATOM 2366 C ILE A 156 11.436 2.175 -2.079 1.00 30.03 C ATOM 2367 O ILE A 156 10.835 1.508 -2.908 1.00 20.01 O ATOM 2368 CB ILE A 156 10.751 4.607 -2.477 1.00 72.24 C ATOM 2369 CG1 ILE A 156 11.292 5.980 -2.983 1.00 14.35 C ATOM 2370 CG2 ILE A 156 10.085 4.749 -1.083 1.00 15.51 C ATOM 2371 CD1 ILE A 156 10.235 7.021 -3.241 1.00 21.31 C ATOM 0 H ILE A 156 11.968 3.703 -4.531 1.00 30.44 H new ATOM 0 HA ILE A 156 12.621 3.932 -1.690 1.00 31.31 H new ATOM 0 HB ILE A 156 9.983 4.251 -3.164 1.00 72.24 H new ATOM 0 HG12 ILE A 156 11.994 6.371 -2.247 1.00 14.35 H new ATOM 0 HG13 ILE A 156 11.853 5.816 -3.903 1.00 14.35 H new ATOM 0 HG21 ILE A 156 9.276 5.477 -1.139 1.00 15.51 H new ATOM 0 HG22 ILE A 156 9.685 3.784 -0.771 1.00 15.51 H new ATOM 0 HG23 ILE A 156 10.826 5.086 -0.358 1.00 15.51 H new ATOM 0 HD11 ILE A 156 10.707 7.940 -3.589 1.00 21.31 H new ATOM 0 HD12 ILE A 156 9.544 6.657 -4.001 1.00 21.31 H new ATOM 0 HD13 ILE A 156 9.688 7.220 -2.319 1.00 21.31 H new ATOM 2383 N THR A 157 11.752 1.723 -0.866 1.00 21.33 N ATOM 2384 CA THR A 157 11.594 0.317 -0.477 1.00 72.21 C ATOM 2385 C THR A 157 11.415 0.193 1.037 1.00 61.41 C ATOM 2386 O THR A 157 11.809 1.086 1.797 1.00 34.24 O ATOM 2387 CB THR A 157 12.837 -0.525 -0.963 1.00 63.54 C ATOM 2388 OG1 THR A 157 12.750 -1.878 -0.499 1.00 14.23 O ATOM 2389 CG2 THR A 157 14.185 0.103 -0.531 1.00 4.14 C ATOM 0 H THR A 157 12.124 2.317 -0.125 1.00 21.33 H new ATOM 0 HA THR A 157 10.698 -0.078 -0.956 1.00 72.21 H new ATOM 0 HB THR A 157 12.811 -0.519 -2.053 1.00 63.54 H new ATOM 0 HG1 THR A 157 12.402 -2.448 -1.216 1.00 14.23 H new ATOM 0 HG21 THR A 157 15.007 -0.516 -0.891 1.00 4.14 H new ATOM 0 HG22 THR A 157 14.272 1.104 -0.954 1.00 4.14 H new ATOM 0 HG23 THR A 157 14.226 0.164 0.557 1.00 4.14 H new ATOM 2397 N ILE A 158 10.791 -0.918 1.458 1.00 72.04 N ATOM 2398 CA ILE A 158 10.663 -1.280 2.871 1.00 33.12 C ATOM 2399 C ILE A 158 12.018 -1.805 3.379 1.00 51.24 C ATOM 2400 O ILE A 158 12.378 -2.954 3.110 1.00 34.10 O ATOM 2401 CB ILE A 158 9.532 -2.363 3.082 1.00 63.40 C ATOM 2402 CG1 ILE A 158 8.144 -1.792 2.641 1.00 74.02 C ATOM 2403 CG2 ILE A 158 9.491 -2.866 4.547 1.00 11.35 C ATOM 2404 CD1 ILE A 158 6.973 -2.760 2.754 1.00 64.53 C ATOM 0 H ILE A 158 10.361 -1.590 0.823 1.00 72.04 H new ATOM 0 HA ILE A 158 10.377 -0.395 3.440 1.00 33.12 H new ATOM 0 HB ILE A 158 9.766 -3.223 2.454 1.00 63.40 H new ATOM 0 HG12 ILE A 158 7.924 -0.911 3.244 1.00 74.02 H new ATOM 0 HG13 ILE A 158 8.219 -1.459 1.606 1.00 74.02 H new ATOM 0 HG21 ILE A 158 8.701 -3.610 4.654 1.00 11.35 H new ATOM 0 HG22 ILE A 158 10.450 -3.316 4.804 1.00 11.35 H new ATOM 0 HG23 ILE A 158 9.293 -2.027 5.214 1.00 11.35 H new ATOM 0 HD11 ILE A 158 6.059 -2.266 2.424 1.00 64.53 H new ATOM 0 HD12 ILE A 158 7.160 -3.632 2.128 1.00 64.53 H new ATOM 0 HD13 ILE A 158 6.861 -3.076 3.791 1.00 64.53 H new ATOM 2416 N ALA A 159 12.787 -0.925 4.047 1.00 34.32 N ATOM 2417 CA ALA A 159 14.083 -1.271 4.654 1.00 62.04 C ATOM 2418 C ALA A 159 13.954 -2.482 5.594 1.00 75.01 C ATOM 2419 O ALA A 159 14.648 -3.489 5.416 1.00 63.10 O ATOM 2420 CB ALA A 159 14.677 -0.057 5.388 1.00 1.25 C ATOM 0 H ALA A 159 12.524 0.051 4.181 1.00 34.32 H new ATOM 0 HA ALA A 159 14.767 -1.552 3.853 1.00 62.04 H new ATOM 0 HB1 ALA A 159 15.635 -0.332 5.830 1.00 1.25 H new ATOM 0 HB2 ALA A 159 14.825 0.759 4.681 1.00 1.25 H new ATOM 0 HB3 ALA A 159 13.993 0.263 6.174 1.00 1.25 H new ATOM 2426 N ASP A 160 13.018 -2.394 6.554 1.00 74.02 N ATOM 2427 CA ASP A 160 12.808 -3.453 7.560 1.00 20.14 C ATOM 2428 C ASP A 160 11.376 -3.398 8.131 1.00 41.41 C ATOM 2429 O ASP A 160 10.737 -2.342 8.129 1.00 24.13 O ATOM 2430 CB ASP A 160 13.878 -3.315 8.682 1.00 11.10 C ATOM 2431 CG ASP A 160 13.811 -4.391 9.780 1.00 32.32 C ATOM 2432 OD1 ASP A 160 13.712 -5.592 9.454 1.00 51.31 O ATOM 2433 OD2 ASP A 160 13.873 -4.046 10.972 1.00 21.03 O ATOM 0 H ASP A 160 12.391 -1.596 6.656 1.00 74.02 H new ATOM 0 HA ASP A 160 12.922 -4.428 7.086 1.00 20.14 H new ATOM 0 HB2 ASP A 160 14.867 -3.344 8.225 1.00 11.10 H new ATOM 0 HB3 ASP A 160 13.771 -2.335 9.147 1.00 11.10 H new ATOM 2438 N CYS A 161 10.887 -4.568 8.583 1.00 41.10 N ATOM 2439 CA CYS A 161 9.584 -4.735 9.254 1.00 25.03 C ATOM 2440 C CYS A 161 9.796 -4.883 10.777 1.00 42.23 C ATOM 2441 O CYS A 161 10.917 -4.709 11.269 1.00 22.21 O ATOM 2442 CB CYS A 161 8.857 -5.964 8.657 1.00 21.34 C ATOM 2443 SG CYS A 161 9.799 -7.505 8.747 1.00 42.15 S ATOM 0 H CYS A 161 11.400 -5.445 8.489 1.00 41.10 H new ATOM 0 HA CYS A 161 8.961 -3.856 9.090 1.00 25.03 H new ATOM 0 HB2 CYS A 161 7.910 -6.100 9.180 1.00 21.34 H new ATOM 0 HB3 CYS A 161 8.619 -5.758 7.613 1.00 21.34 H new ATOM 0 HG CYS A 161 9.103 -8.470 8.224 1.00 42.15 H new ATOM 2449 N GLY A 162 8.726 -5.220 11.520 1.00 71.23 N ATOM 2450 CA GLY A 162 8.760 -5.207 12.991 1.00 0.25 C ATOM 2451 C GLY A 162 7.579 -4.457 13.557 1.00 12.32 C ATOM 2452 O GLY A 162 7.751 -3.534 14.366 1.00 34.54 O ATOM 0 H GLY A 162 7.829 -5.504 11.125 1.00 71.23 H new ATOM 0 HA2 GLY A 162 8.758 -6.230 13.367 1.00 0.25 H new ATOM 0 HA3 GLY A 162 9.686 -4.744 13.332 1.00 0.25 H new ATOM 2456 N GLN A 163 6.382 -4.861 13.093 1.00 52.22 N ATOM 2457 CA GLN A 163 5.116 -4.153 13.327 1.00 54.20 C ATOM 2458 C GLN A 163 4.841 -3.852 14.824 1.00 41.02 C ATOM 2459 O GLN A 163 4.890 -4.747 15.676 1.00 54.14 O ATOM 2460 CB GLN A 163 3.938 -4.917 12.676 1.00 21.14 C ATOM 2461 CG GLN A 163 3.539 -6.259 13.303 1.00 23.01 C ATOM 2462 CD GLN A 163 2.334 -6.909 12.611 1.00 51.13 C ATOM 2463 OE1 GLN A 163 1.518 -7.559 13.258 1.00 12.53 O ATOM 2464 NE2 GLN A 163 2.242 -6.792 11.282 1.00 14.51 N ATOM 0 H GLN A 163 6.269 -5.706 12.534 1.00 52.22 H new ATOM 0 HA GLN A 163 5.212 -3.179 12.847 1.00 54.20 H new ATOM 0 HB2 GLN A 163 3.064 -4.265 12.689 1.00 21.14 H new ATOM 0 HB3 GLN A 163 4.188 -5.094 11.630 1.00 21.14 H new ATOM 0 HG2 GLN A 163 4.388 -6.941 13.259 1.00 23.01 H new ATOM 0 HG3 GLN A 163 3.307 -6.107 14.357 1.00 23.01 H new ATOM 0 HE21 GLN A 163 2.934 -6.246 10.769 1.00 14.51 H new ATOM 0 HE22 GLN A 163 1.480 -7.249 10.781 1.00 14.51 H new ATOM 2473 N LEU A 164 4.575 -2.566 15.119 1.00 54.44 N ATOM 2474 CA LEU A 164 4.393 -2.074 16.489 1.00 63.24 C ATOM 2475 C LEU A 164 2.939 -2.278 16.910 1.00 12.43 C ATOM 2476 O LEU A 164 2.090 -1.486 16.550 1.00 31.42 O ATOM 2477 CB LEU A 164 4.755 -0.561 16.573 1.00 30.44 C ATOM 2478 CG LEU A 164 6.211 -0.173 16.171 1.00 44.41 C ATOM 2479 CD1 LEU A 164 6.442 1.351 16.264 1.00 45.31 C ATOM 2480 CD2 LEU A 164 7.253 -0.945 16.996 1.00 2.25 C ATOM 0 H LEU A 164 4.481 -1.840 14.409 1.00 54.44 H new ATOM 0 HA LEU A 164 5.051 -2.629 17.157 1.00 63.24 H new ATOM 0 HB2 LEU A 164 4.066 -0.009 15.934 1.00 30.44 H new ATOM 0 HB3 LEU A 164 4.582 -0.224 17.595 1.00 30.44 H new ATOM 0 HG LEU A 164 6.340 -0.461 15.128 1.00 44.41 H new ATOM 0 HD11 LEU A 164 7.468 1.582 15.976 1.00 45.31 H new ATOM 0 HD12 LEU A 164 5.753 1.865 15.594 1.00 45.31 H new ATOM 0 HD13 LEU A 164 6.269 1.683 17.288 1.00 45.31 H new ATOM 0 HD21 LEU A 164 8.255 -0.647 16.687 1.00 2.25 H new ATOM 0 HD22 LEU A 164 7.118 -0.721 18.054 1.00 2.25 H new ATOM 0 HD23 LEU A 164 7.126 -2.015 16.833 1.00 2.25 H new ATOM 2540 N PRO B 218 -2.268 -3.886 -12.479 1.00 24.51 N ATOM 2541 CA PRO B 218 -2.927 -3.846 -11.149 1.00 23.40 C ATOM 2542 C PRO B 218 -2.561 -2.559 -10.373 1.00 73.05 C ATOM 2543 O PRO B 218 -1.487 -2.467 -9.765 1.00 43.14 O ATOM 2544 CB PRO B 218 -2.396 -5.123 -10.439 1.00 33.13 C ATOM 2545 CG PRO B 218 -2.062 -6.064 -11.562 1.00 4.00 C ATOM 2546 CD PRO B 218 -1.557 -5.186 -12.691 1.00 50.11 C ATOM 0 HA PRO B 218 -4.015 -3.829 -11.216 1.00 23.40 H new ATOM 0 HB2 PRO B 218 -1.519 -4.903 -9.830 1.00 33.13 H new ATOM 0 HB3 PRO B 218 -3.147 -5.549 -9.774 1.00 33.13 H new ATOM 0 HG2 PRO B 218 -1.304 -6.785 -11.257 1.00 4.00 H new ATOM 0 HG3 PRO B 218 -2.939 -6.634 -11.870 1.00 4.00 H new ATOM 0 HD2 PRO B 218 -0.475 -5.062 -12.648 1.00 50.11 H new ATOM 0 HD3 PRO B 218 -1.790 -5.615 -13.666 1.00 50.11 H new ATOM 2554 N GLY B 219 -3.434 -1.549 -10.482 1.00 63.31 N ATOM 2555 CA GLY B 219 -3.233 -0.250 -9.856 1.00 42.14 C ATOM 2556 C GLY B 219 -4.256 0.784 -10.344 1.00 14.12 C ATOM 2557 O GLY B 219 -4.696 0.712 -11.500 1.00 14.34 O ATOM 0 H GLY B 219 -4.303 -1.618 -11.012 1.00 63.31 H new ATOM 0 HA2 GLY B 219 -3.309 -0.353 -8.774 1.00 42.14 H new ATOM 0 HA3 GLY B 219 -2.226 0.106 -10.073 1.00 42.14 H new ATOM 2561 N PRO B 220 -4.654 1.770 -9.480 1.00 73.12 N ATOM 2562 CA PRO B 220 -5.716 2.769 -9.807 1.00 73.35 C ATOM 2563 C PRO B 220 -5.265 3.914 -10.762 1.00 63.42 C ATOM 2564 O PRO B 220 -4.066 4.086 -11.021 1.00 2.31 O ATOM 2565 CB PRO B 220 -6.076 3.311 -8.410 1.00 32.12 C ATOM 2566 CG PRO B 220 -4.807 3.225 -7.621 1.00 43.13 C ATOM 2567 CD PRO B 220 -4.123 1.963 -8.095 1.00 42.10 C ATOM 0 HA PRO B 220 -6.541 2.319 -10.358 1.00 73.35 H new ATOM 0 HB2 PRO B 220 -6.437 4.338 -8.466 1.00 32.12 H new ATOM 0 HB3 PRO B 220 -6.868 2.720 -7.950 1.00 32.12 H new ATOM 0 HG2 PRO B 220 -4.179 4.100 -7.791 1.00 43.13 H new ATOM 0 HG3 PRO B 220 -5.012 3.183 -6.551 1.00 43.13 H new ATOM 0 HD2 PRO B 220 -3.038 2.071 -8.094 1.00 42.10 H new ATOM 0 HD3 PRO B 220 -4.360 1.114 -7.454 1.00 42.10 H new ATOM 2575 N TYR B 221 -6.257 4.705 -11.244 1.00 64.24 N ATOM 2576 CA TYR B 221 -6.048 5.802 -12.226 1.00 50.54 C ATOM 2577 C TYR B 221 -5.744 7.138 -11.521 1.00 22.42 C ATOM 2578 O TYR B 221 -6.406 7.508 -10.539 1.00 75.22 O ATOM 2579 CB TYR B 221 -7.290 5.947 -13.141 1.00 63.12 C ATOM 2580 CG TYR B 221 -7.495 4.765 -14.108 1.00 53.32 C ATOM 2581 CD1 TYR B 221 -8.255 3.645 -13.745 1.00 31.41 C ATOM 2582 CD2 TYR B 221 -6.922 4.767 -15.385 1.00 41.35 C ATOM 2583 CE1 TYR B 221 -8.432 2.580 -14.616 1.00 0.44 C ATOM 2584 CE2 TYR B 221 -7.100 3.706 -16.257 1.00 41.33 C ATOM 2585 CZ TYR B 221 -7.854 2.615 -15.870 1.00 55.51 C ATOM 2586 OH TYR B 221 -8.030 1.556 -16.745 1.00 44.42 O ATOM 0 H TYR B 221 -7.231 4.600 -10.961 1.00 64.24 H new ATOM 0 HA TYR B 221 -5.184 5.543 -12.838 1.00 50.54 H new ATOM 0 HB2 TYR B 221 -8.178 6.052 -12.518 1.00 63.12 H new ATOM 0 HB3 TYR B 221 -7.197 6.866 -13.720 1.00 63.12 H new ATOM 0 HD1 TYR B 221 -8.712 3.610 -12.767 1.00 31.41 H new ATOM 0 HD2 TYR B 221 -6.329 5.614 -15.697 1.00 41.35 H new ATOM 0 HE1 TYR B 221 -9.020 1.726 -14.314 1.00 0.44 H new ATOM 0 HE2 TYR B 221 -6.650 3.731 -17.238 1.00 41.33 H new ATOM 0 HH TYR B 221 -7.558 1.742 -17.583 1.00 44.42 H new