USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1033 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 89 ASN : amide:sc= -1.13! C(o=-0.024!,f=-4.3!) USER MOD Set 1.2: A 94 ASN : amide:sc= 1.1 K(o=-0.024,f=-3.4!) USER MOD Set 2.1: A 85 THR OG1 : rot -82:sc= 1.1 USER MOD Set 2.2: A 123 GLN : amide:sc= -0.215 X(o=0.88,f=0.94) USER MOD Set 3.1: A 81 ASN : amide:sc= 0.034 K(o=0.83,f=-3.8) USER MOD Set 3.2: A 130 LYS NZ :NH3+ -162:sc= 0.794 (180deg=-0.00857) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 11 GLN : amide:sc= -5.51! K(o=-5.5!,f=0.69) USER MOD Single : A 15 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.4!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.568 K(o=-0.57,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -13:sc= 1.17 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.9!) USER MOD Single : A 54 THR OG1 : rot -65:sc= 0.944 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 60 THR OG1 : rot 100:sc= 1.3 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.459) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot -78:sc= -0.878 USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= 0.708 (180deg=-2.52!) USER MOD Single : A 90 GLN : amide:sc= 0.542 K(o=0.54,f=-0.25) USER MOD Single : A 91 GLN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : A 100 MET CE :methyl -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 102 THR OG1 : rot -96:sc= 0.467 USER MOD Single : A 104 SER OG : rot -13:sc= 0.756 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 116:sc= -0.0831 USER MOD Single : A 109 SER OG : rot -105:sc= 0.17 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.32) USER MOD Single : A 114 MET CE :methyl -163:sc= -0.107 (180deg=-0.481) USER MOD Single : A 115 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.14) USER MOD Single : A 116 TYR OH : rot 96:sc= 1.43 USER MOD Single : A 125 GLN : amide:sc= -2.85! C(o=-2.9!,f=-2.5!) USER MOD Single : A 129 THR OG1 : rot -130:sc= -0.0961 USER MOD Single : A 134 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.15) USER MOD Single : A 138 LYS NZ :NH3+ -145:sc= 0.98 (180deg=0.297) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.185 9.389 2.776 1.00 0.00 N ATOM 2 CA PRO A 1 3.886 8.793 1.654 1.00 0.00 C ATOM 3 C PRO A 1 5.319 9.237 1.694 1.00 0.00 C ATOM 4 O PRO A 1 5.677 10.055 2.518 1.00 0.00 O ATOM 5 CB PRO A 1 3.212 9.237 0.379 1.00 0.00 C ATOM 6 CG PRO A 1 1.856 9.638 0.852 1.00 0.00 C ATOM 7 CD PRO A 1 2.032 10.128 2.279 1.00 0.00 C ATOM 0 H2 PRO A 1 3.808 10.012 3.289 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.884 8.665 3.428 1.00 0.00 H new ATOM 0 HA PRO A 1 3.859 7.704 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.740 10.067 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.164 8.433 -0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.439 10.422 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.165 8.796 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.205 11.204 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.144 9.930 2.880 1.00 0.00 H new ATOM 17 N VAL A 2 6.117 8.701 0.834 1.00 0.00 N ATOM 18 CA VAL A 2 7.532 8.980 0.757 1.00 0.00 C ATOM 19 C VAL A 2 7.842 9.788 -0.509 1.00 0.00 C ATOM 20 O VAL A 2 7.174 9.647 -1.535 1.00 0.00 O ATOM 21 CB VAL A 2 8.364 7.643 0.772 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.864 7.868 0.589 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.110 6.871 2.060 1.00 0.00 C ATOM 0 H VAL A 2 5.801 8.030 0.134 1.00 0.00 H new ATOM 0 HA VAL A 2 7.817 9.569 1.629 1.00 0.00 H new ATOM 0 HB VAL A 2 8.022 7.059 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.381 6.909 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.044 8.358 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.238 8.498 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.693 5.950 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.405 7.481 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.050 6.629 2.136 1.00 0.00 H new ATOM 33 N THR A 3 8.818 10.654 -0.405 1.00 0.00 N ATOM 34 CA THR A 3 9.299 11.426 -1.509 1.00 0.00 C ATOM 35 C THR A 3 10.832 11.426 -1.380 1.00 0.00 C ATOM 36 O THR A 3 11.341 11.091 -0.290 1.00 0.00 O ATOM 37 CB THR A 3 8.686 12.859 -1.502 1.00 0.00 C ATOM 38 OG1 THR A 3 9.117 13.614 -2.640 1.00 0.00 O ATOM 39 CG2 THR A 3 9.020 13.604 -0.214 1.00 0.00 C ATOM 0 H THR A 3 9.307 10.842 0.470 1.00 0.00 H new ATOM 0 HA THR A 3 9.001 11.003 -2.468 1.00 0.00 H new ATOM 0 HB THR A 3 7.603 12.745 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.716 14.508 -2.611 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.577 14.599 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.621 13.054 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.102 13.692 -0.114 1.00 0.00 H new ATOM 47 N GLU A 4 11.572 11.773 -2.407 1.00 0.00 N ATOM 48 CA GLU A 4 13.003 11.557 -2.343 1.00 0.00 C ATOM 49 C GLU A 4 13.832 12.829 -2.240 1.00 0.00 C ATOM 50 O GLU A 4 13.407 13.915 -2.608 1.00 0.00 O ATOM 51 CB GLU A 4 13.511 10.643 -3.479 1.00 0.00 C ATOM 52 CG GLU A 4 13.594 11.263 -4.878 1.00 0.00 C ATOM 53 CD GLU A 4 12.273 11.718 -5.443 1.00 0.00 C ATOM 54 OE1 GLU A 4 11.874 12.867 -5.223 1.00 0.00 O ATOM 55 OE2 GLU A 4 11.615 10.934 -6.131 1.00 0.00 O ATOM 0 H GLU A 4 11.225 12.192 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 4 13.154 11.036 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.503 10.283 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.859 9.771 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.272 12.116 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.033 10.534 -5.559 1.00 0.00 H new ATOM 62 N THR A 5 14.957 12.676 -1.615 1.00 0.00 N ATOM 63 CA THR A 5 15.952 13.698 -1.504 1.00 0.00 C ATOM 64 C THR A 5 17.278 13.134 -2.066 1.00 0.00 C ATOM 65 O THR A 5 17.788 12.115 -1.587 1.00 0.00 O ATOM 66 CB THR A 5 16.096 14.166 -0.024 1.00 0.00 C ATOM 67 OG1 THR A 5 17.185 15.062 0.129 1.00 0.00 O ATOM 68 CG2 THR A 5 16.237 12.985 0.948 1.00 0.00 C ATOM 0 H THR A 5 15.218 11.806 -1.151 1.00 0.00 H new ATOM 0 HA THR A 5 15.665 14.578 -2.079 1.00 0.00 H new ATOM 0 HB THR A 5 15.175 14.691 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.250 15.340 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.334 13.361 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.354 12.350 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.123 12.405 0.689 1.00 0.00 H new ATOM 76 N VAL A 6 17.798 13.732 -3.114 1.00 0.00 N ATOM 77 CA VAL A 6 18.983 13.193 -3.773 1.00 0.00 C ATOM 78 C VAL A 6 20.123 14.198 -3.740 1.00 0.00 C ATOM 79 O VAL A 6 19.900 15.401 -3.544 1.00 0.00 O ATOM 80 CB VAL A 6 18.691 12.812 -5.258 1.00 0.00 C ATOM 81 CG1 VAL A 6 17.569 11.788 -5.356 1.00 0.00 C ATOM 82 CG2 VAL A 6 18.346 14.054 -6.091 1.00 0.00 C ATOM 0 H VAL A 6 17.428 14.586 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 6 19.268 12.294 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 6 19.600 12.366 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.390 11.544 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.853 10.885 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.660 12.201 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.147 13.758 -7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.461 14.537 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 6 19.184 14.751 -6.069 1.00 0.00 H new ATOM 92 N ASP A 7 21.318 13.707 -3.886 1.00 0.00 N ATOM 93 CA ASP A 7 22.484 14.560 -3.992 1.00 0.00 C ATOM 94 C ASP A 7 23.157 14.296 -5.333 1.00 0.00 C ATOM 95 O ASP A 7 23.012 13.199 -5.875 1.00 0.00 O ATOM 96 CB ASP A 7 23.438 14.299 -2.828 1.00 0.00 C ATOM 97 CG ASP A 7 24.710 15.091 -2.906 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.729 16.253 -2.475 1.00 0.00 O ATOM 99 OD2 ASP A 7 25.712 14.555 -3.375 1.00 0.00 O ATOM 0 H ASP A 7 21.521 12.709 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 7 22.190 15.608 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 7 22.930 14.534 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 7 23.682 13.237 -2.800 1.00 0.00 H new ATOM 104 N GLY A 8 23.908 15.281 -5.837 1.00 0.00 N ATOM 105 CA GLY A 8 24.552 15.209 -7.152 1.00 0.00 C ATOM 106 C GLY A 8 25.506 14.046 -7.327 1.00 0.00 C ATOM 107 O GLY A 8 25.843 13.686 -8.451 1.00 0.00 O ATOM 0 H GLY A 8 24.087 16.154 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 8 23.778 15.145 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.096 16.137 -7.326 1.00 0.00 H new ATOM 111 N GLN A 9 25.924 13.444 -6.236 1.00 0.00 N ATOM 112 CA GLN A 9 26.845 12.318 -6.299 1.00 0.00 C ATOM 113 C GLN A 9 26.140 11.045 -6.717 1.00 0.00 C ATOM 114 O GLN A 9 26.781 10.046 -7.027 1.00 0.00 O ATOM 115 CB GLN A 9 27.459 12.090 -4.953 1.00 0.00 C ATOM 116 CG GLN A 9 28.264 13.235 -4.429 1.00 0.00 C ATOM 117 CD GLN A 9 28.713 12.982 -3.032 1.00 0.00 C ATOM 118 OE1 GLN A 9 29.777 12.432 -2.801 1.00 0.00 O ATOM 119 NE2 GLN A 9 27.905 13.374 -2.093 1.00 0.00 N ATOM 0 H GLN A 9 25.644 13.711 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 9 27.608 12.562 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 9 26.665 11.866 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 9 28.098 11.209 -5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 9 29.131 13.396 -5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 9 27.669 14.147 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 9 27.025 13.830 -2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 9 28.151 13.226 -1.114 1.00 0.00 H new ATOM 128 N GLY A 10 24.819 11.070 -6.724 1.00 0.00 N ATOM 129 CA GLY A 10 24.079 9.883 -7.055 1.00 0.00 C ATOM 130 C GLY A 10 23.758 9.096 -5.824 1.00 0.00 C ATOM 131 O GLY A 10 23.323 7.940 -5.889 1.00 0.00 O ATOM 0 H GLY A 10 24.251 11.889 -6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.157 10.155 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.658 9.268 -7.744 1.00 0.00 H new ATOM 135 N GLN A 11 23.992 9.716 -4.696 1.00 0.00 N ATOM 136 CA GLN A 11 23.669 9.144 -3.430 1.00 0.00 C ATOM 137 C GLN A 11 22.303 9.657 -3.069 1.00 0.00 C ATOM 138 O GLN A 11 22.113 10.855 -2.744 1.00 0.00 O ATOM 139 CB GLN A 11 24.741 9.438 -2.361 1.00 0.00 C ATOM 140 CG GLN A 11 25.233 10.873 -2.343 1.00 0.00 C ATOM 141 CD GLN A 11 25.146 11.522 -0.993 1.00 0.00 C ATOM 142 OE1 GLN A 11 26.066 11.467 -0.201 1.00 0.00 O ATOM 143 NE2 GLN A 11 24.030 12.132 -0.717 1.00 0.00 N ATOM 0 H GLN A 11 24.417 10.642 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 11 23.654 8.055 -3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 11 24.334 9.194 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 11 25.592 8.777 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 11 26.269 10.897 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 11 24.650 11.457 -3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 11 23.279 12.158 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 11 23.906 12.584 0.189 1.00 0.00 H new ATOM 152 N ALA A 12 21.354 8.789 -3.211 1.00 0.00 N ATOM 153 CA ALA A 12 19.981 9.142 -3.089 1.00 0.00 C ATOM 154 C ALA A 12 19.368 8.595 -1.823 1.00 0.00 C ATOM 155 O ALA A 12 19.604 7.452 -1.433 1.00 0.00 O ATOM 156 CB ALA A 12 19.242 8.674 -4.309 1.00 0.00 C ATOM 0 H ALA A 12 21.515 7.803 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 12 19.903 10.227 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 12 18.189 8.942 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 12 19.665 9.148 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 12 19.335 7.592 -4.398 1.00 0.00 H new ATOM 162 N TRP A 13 18.567 9.415 -1.215 1.00 0.00 N ATOM 163 CA TRP A 13 17.924 9.138 0.058 1.00 0.00 C ATOM 164 C TRP A 13 16.511 9.585 -0.102 1.00 0.00 C ATOM 165 O TRP A 13 16.092 9.960 -1.208 1.00 0.00 O ATOM 166 CB TRP A 13 18.591 9.908 1.221 1.00 0.00 C ATOM 167 CG TRP A 13 20.055 9.962 1.103 1.00 0.00 C ATOM 168 CD1 TRP A 13 20.741 10.959 0.521 1.00 0.00 C ATOM 169 CD2 TRP A 13 21.014 8.992 1.523 1.00 0.00 C ATOM 170 NE1 TRP A 13 22.069 10.679 0.542 1.00 0.00 N ATOM 171 CE2 TRP A 13 22.269 9.488 1.151 1.00 0.00 C ATOM 172 CE3 TRP A 13 20.939 7.756 2.171 1.00 0.00 C ATOM 173 CZ2 TRP A 13 23.445 8.818 1.400 1.00 0.00 C ATOM 174 CZ3 TRP A 13 22.117 7.076 2.426 1.00 0.00 C ATOM 175 CH2 TRP A 13 23.359 7.610 2.037 1.00 0.00 C ATOM 0 H TRP A 13 18.327 10.331 -1.595 1.00 0.00 H new ATOM 0 HA TRP A 13 18.003 8.079 0.306 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.196 10.923 1.252 1.00 0.00 H new ATOM 0 HB3 TRP A 13 18.324 9.433 2.165 1.00 0.00 H new ATOM 0 HD1 TRP A 13 20.302 11.851 0.099 1.00 0.00 H new ATOM 0 HE1 TRP A 13 22.803 11.275 0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.986 7.342 2.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 24.399 9.230 1.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 22.082 6.122 2.931 1.00 0.00 H new ATOM 0 HH2 TRP A 13 24.262 7.056 2.245 1.00 0.00 H new ATOM 186 N ARG A 14 15.737 9.492 0.918 1.00 0.00 N ATOM 187 CA ARG A 14 14.382 9.925 0.849 1.00 0.00 C ATOM 188 C ARG A 14 13.838 10.211 2.192 1.00 0.00 C ATOM 189 O ARG A 14 14.513 10.024 3.203 1.00 0.00 O ATOM 190 CB ARG A 14 13.558 8.921 0.114 1.00 0.00 C ATOM 191 CG ARG A 14 13.713 7.558 0.631 1.00 0.00 C ATOM 192 CD ARG A 14 13.705 6.622 -0.499 1.00 0.00 C ATOM 193 NE ARG A 14 14.863 6.809 -1.388 1.00 0.00 N ATOM 194 CZ ARG A 14 15.267 5.897 -2.283 1.00 0.00 C ATOM 195 NH1 ARG A 14 14.764 4.659 -2.256 1.00 0.00 N ATOM 196 NH2 ARG A 14 16.187 6.208 -3.178 1.00 0.00 N ATOM 0 H ARG A 14 16.020 9.116 1.823 1.00 0.00 H new ATOM 0 HA ARG A 14 14.345 10.862 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.508 9.208 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.833 8.936 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.645 7.469 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.904 7.322 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.701 5.600 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.786 6.754 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 14 15.387 7.681 -1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.070 4.406 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.074 3.968 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.592 7.144 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.493 5.512 -3.858 1.00 0.00 H new ATOM 210 N HIS A 15 12.635 10.654 2.211 1.00 0.00 N ATOM 211 CA HIS A 15 12.014 11.067 3.414 1.00 0.00 C ATOM 212 C HIS A 15 10.567 10.759 3.380 1.00 0.00 C ATOM 213 O HIS A 15 9.899 10.951 2.348 1.00 0.00 O ATOM 214 CB HIS A 15 12.287 12.558 3.717 1.00 0.00 C ATOM 215 CG HIS A 15 11.965 13.566 2.635 1.00 0.00 C ATOM 216 ND1 HIS A 15 11.303 14.741 2.890 1.00 0.00 N ATOM 217 CD2 HIS A 15 12.343 13.626 1.336 1.00 0.00 C ATOM 218 CE1 HIS A 15 11.293 15.484 1.809 1.00 0.00 C ATOM 219 NE2 HIS A 15 11.920 14.830 0.854 1.00 0.00 N ATOM 0 H HIS A 15 12.047 10.741 1.382 1.00 0.00 H new ATOM 0 HA HIS A 15 12.454 10.503 4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.719 12.829 4.607 1.00 0.00 H new ATOM 0 HB3 HIS A 15 13.343 12.661 3.968 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.878 12.865 0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.847 16.463 1.718 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.066 15.170 -0.096 1.00 0.00 H new ATOM 228 N HIS A 16 10.060 10.264 4.471 1.00 0.00 N ATOM 229 CA HIS A 16 8.670 9.968 4.528 1.00 0.00 C ATOM 230 C HIS A 16 7.922 11.154 5.071 1.00 0.00 C ATOM 231 O HIS A 16 8.396 11.859 5.941 1.00 0.00 O ATOM 232 CB HIS A 16 8.335 8.667 5.292 1.00 0.00 C ATOM 233 CG HIS A 16 8.578 8.661 6.770 1.00 0.00 C ATOM 234 ND1 HIS A 16 7.573 8.812 7.696 1.00 0.00 N ATOM 235 CD2 HIS A 16 9.706 8.477 7.475 1.00 0.00 C ATOM 236 CE1 HIS A 16 8.076 8.721 8.909 1.00 0.00 C ATOM 237 NE2 HIS A 16 9.370 8.518 8.804 1.00 0.00 N ATOM 0 H HIS A 16 10.586 10.061 5.321 1.00 0.00 H new ATOM 0 HA HIS A 16 8.341 9.774 3.507 1.00 0.00 H new ATOM 0 HB2 HIS A 16 7.284 8.436 5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.915 7.857 4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 16 10.696 8.325 7.070 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.521 8.800 9.832 1.00 0.00 H new ATOM 0 HE2 HIS A 16 10.019 8.409 9.584 1.00 0.00 H new ATOM 246 N ASN A 17 6.817 11.390 4.505 1.00 0.00 N ATOM 247 CA ASN A 17 5.973 12.508 4.807 1.00 0.00 C ATOM 248 C ASN A 17 4.770 12.038 5.546 1.00 0.00 C ATOM 249 O ASN A 17 4.475 10.833 5.548 1.00 0.00 O ATOM 250 CB ASN A 17 5.563 13.162 3.499 1.00 0.00 C ATOM 251 CG ASN A 17 6.488 14.280 3.029 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.064 15.181 2.316 1.00 0.00 O ATOM 253 ND2 ASN A 17 7.746 14.248 3.433 1.00 0.00 N ATOM 0 H ASN A 17 6.436 10.788 3.775 1.00 0.00 H new ATOM 0 HA ASN A 17 6.503 13.229 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.517 12.397 2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.556 13.564 3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.391 14.986 3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.072 13.485 4.027 1.00 0.00 H new ATOM 260 N GLY A 18 4.073 12.970 6.172 1.00 0.00 N ATOM 261 CA GLY A 18 2.870 12.641 6.887 1.00 0.00 C ATOM 262 C GLY A 18 1.801 12.125 5.947 1.00 0.00 C ATOM 263 O GLY A 18 1.894 12.309 4.719 1.00 0.00 O ATOM 0 H GLY A 18 4.326 13.958 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.088 11.887 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.502 13.523 7.412 1.00 0.00 H new ATOM 267 N PHE A 19 0.815 11.492 6.505 1.00 0.00 N ATOM 268 CA PHE A 19 -0.265 10.920 5.737 1.00 0.00 C ATOM 269 C PHE A 19 -1.086 12.060 5.207 1.00 0.00 C ATOM 270 O PHE A 19 -1.661 12.811 5.997 1.00 0.00 O ATOM 271 CB PHE A 19 -1.118 10.031 6.653 1.00 0.00 C ATOM 272 CG PHE A 19 -0.289 9.058 7.457 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.402 8.023 6.841 1.00 0.00 C ATOM 274 CD2 PHE A 19 -0.176 9.204 8.829 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.187 7.158 7.582 1.00 0.00 C ATOM 276 CE2 PHE A 19 0.607 8.347 9.572 1.00 0.00 C ATOM 277 CZ PHE A 19 1.288 7.318 8.941 1.00 0.00 C ATOM 0 H PHE A 19 0.730 11.353 7.512 1.00 0.00 H new ATOM 0 HA PHE A 19 0.110 10.310 4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.692 10.661 7.332 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.836 9.477 6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.326 7.892 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.710 10.002 9.325 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.720 6.357 7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.689 8.477 10.641 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.899 6.641 9.520 1.00 0.00 H new ATOM 287 N ASP A 20 -1.141 12.214 3.898 1.00 0.00 N ATOM 288 CA ASP A 20 -1.808 13.352 3.303 1.00 0.00 C ATOM 289 C ASP A 20 -3.269 13.190 3.492 1.00 0.00 C ATOM 290 O ASP A 20 -3.895 12.306 2.877 1.00 0.00 O ATOM 291 CB ASP A 20 -1.455 13.494 1.815 1.00 0.00 C ATOM 292 CG ASP A 20 0.001 13.839 1.590 1.00 0.00 C ATOM 293 OD1 ASP A 20 0.385 15.021 1.761 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.789 12.940 1.261 1.00 0.00 O ATOM 0 H ASP A 20 -0.731 11.564 3.227 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.472 14.266 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.687 12.562 1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.080 14.268 1.370 1.00 0.00 H new ATOM 299 N PHE A 21 -3.817 14.018 4.356 1.00 0.00 N ATOM 300 CA PHE A 21 -5.189 13.895 4.751 1.00 0.00 C ATOM 301 C PHE A 21 -6.113 14.079 3.584 1.00 0.00 C ATOM 302 O PHE A 21 -7.078 13.397 3.500 1.00 0.00 O ATOM 303 CB PHE A 21 -5.554 14.840 5.891 1.00 0.00 C ATOM 304 CG PHE A 21 -6.888 14.512 6.509 1.00 0.00 C ATOM 305 CD1 PHE A 21 -7.036 13.354 7.263 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.990 15.348 6.344 1.00 0.00 C ATOM 307 CE1 PHE A 21 -8.246 13.037 7.835 1.00 0.00 C ATOM 308 CE2 PHE A 21 -9.205 15.028 6.920 1.00 0.00 C ATOM 309 CZ PHE A 21 -9.333 13.871 7.667 1.00 0.00 C ATOM 0 H PHE A 21 -3.319 14.790 4.799 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.314 12.879 5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.781 14.794 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.572 15.864 5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.191 12.695 7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.894 16.253 5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.346 12.133 8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.055 15.681 6.787 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.282 13.621 8.118 1.00 0.00 H new ATOM 319 N ALA A 22 -5.772 14.988 2.678 1.00 0.00 N ATOM 320 CA ALA A 22 -6.542 15.253 1.456 1.00 0.00 C ATOM 321 C ALA A 22 -6.882 13.963 0.716 1.00 0.00 C ATOM 322 O ALA A 22 -8.032 13.735 0.348 1.00 0.00 O ATOM 323 CB ALA A 22 -5.751 16.165 0.535 1.00 0.00 C ATOM 0 H ALA A 22 -4.941 15.573 2.768 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.474 15.735 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.328 16.358 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.548 17.108 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.809 15.685 0.269 1.00 0.00 H new ATOM 329 N VAL A 23 -5.890 13.111 0.572 1.00 0.00 N ATOM 330 CA VAL A 23 -6.033 11.845 -0.126 1.00 0.00 C ATOM 331 C VAL A 23 -7.013 10.933 0.631 1.00 0.00 C ATOM 332 O VAL A 23 -8.015 10.470 0.067 1.00 0.00 O ATOM 333 CB VAL A 23 -4.660 11.135 -0.258 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.803 9.806 -0.981 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.648 12.025 -0.983 1.00 0.00 C ATOM 0 H VAL A 23 -4.952 13.276 0.938 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.422 12.046 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.290 10.943 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.827 9.328 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.479 9.159 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.206 9.976 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.695 11.503 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.018 12.258 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.510 12.950 -0.423 1.00 0.00 H new ATOM 345 N ILE A 24 -6.726 10.729 1.908 1.00 0.00 N ATOM 346 CA ILE A 24 -7.543 9.889 2.808 1.00 0.00 C ATOM 347 C ILE A 24 -8.998 10.406 2.832 1.00 0.00 C ATOM 348 O ILE A 24 -9.962 9.641 2.769 1.00 0.00 O ATOM 349 CB ILE A 24 -6.977 9.947 4.260 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.481 9.546 4.311 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.814 9.103 5.235 1.00 0.00 C ATOM 352 CD1 ILE A 24 -5.174 8.140 3.818 1.00 0.00 C ATOM 0 H ILE A 24 -5.913 11.141 2.365 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.514 8.863 2.440 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.048 10.985 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.910 10.257 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.131 9.639 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.386 9.171 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.838 9.476 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.813 8.063 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.103 7.954 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.712 7.415 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.487 8.042 2.779 1.00 0.00 H new ATOM 364 N LYS A 25 -9.097 11.698 2.861 1.00 0.00 N ATOM 365 CA LYS A 25 -10.333 12.433 2.934 1.00 0.00 C ATOM 366 C LYS A 25 -11.177 12.179 1.704 1.00 0.00 C ATOM 367 O LYS A 25 -12.342 11.814 1.819 1.00 0.00 O ATOM 368 CB LYS A 25 -10.000 13.919 3.047 1.00 0.00 C ATOM 369 CG LYS A 25 -11.165 14.861 3.250 1.00 0.00 C ATOM 370 CD LYS A 25 -10.703 16.308 3.134 1.00 0.00 C ATOM 371 CE LYS A 25 -10.417 16.709 1.674 1.00 0.00 C ATOM 372 NZ LYS A 25 -10.023 18.134 1.554 1.00 0.00 N ATOM 0 H LYS A 25 -8.278 12.306 2.833 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.904 12.108 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.307 14.050 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.473 14.220 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.938 14.659 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.611 14.692 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.467 16.966 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.803 16.450 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.623 16.079 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.304 16.526 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.840 18.361 0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.791 18.738 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.161 18.304 2.111 1.00 0.00 H new ATOM 386 N GLU A 26 -10.590 12.333 0.534 1.00 0.00 N ATOM 387 CA GLU A 26 -11.332 12.168 -0.695 1.00 0.00 C ATOM 388 C GLU A 26 -11.640 10.709 -0.979 1.00 0.00 C ATOM 389 O GLU A 26 -12.712 10.389 -1.530 1.00 0.00 O ATOM 390 CB GLU A 26 -10.634 12.832 -1.868 1.00 0.00 C ATOM 391 CG GLU A 26 -10.534 14.340 -1.725 1.00 0.00 C ATOM 392 CD GLU A 26 -9.955 14.999 -2.946 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.682 15.128 -3.954 1.00 0.00 O ATOM 394 OE2 GLU A 26 -8.774 15.416 -2.921 1.00 0.00 O ATOM 0 H GLU A 26 -9.606 12.571 0.411 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.287 12.676 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.632 12.415 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.173 12.595 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.525 14.749 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.916 14.579 -0.860 1.00 0.00 H new ATOM 401 N LEU A 27 -10.729 9.810 -0.597 1.00 0.00 N ATOM 402 CA LEU A 27 -10.988 8.394 -0.769 1.00 0.00 C ATOM 403 C LEU A 27 -12.140 7.973 0.142 1.00 0.00 C ATOM 404 O LEU A 27 -12.959 7.145 -0.234 1.00 0.00 O ATOM 405 CB LEU A 27 -9.722 7.522 -0.538 1.00 0.00 C ATOM 406 CG LEU A 27 -9.779 6.104 -1.119 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.138 6.159 -2.567 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.456 5.390 -0.952 1.00 0.00 C ATOM 0 H LEU A 27 -9.828 10.038 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.275 8.225 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.864 8.038 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.544 7.449 0.535 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.541 5.548 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.176 5.147 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.113 6.633 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.388 6.737 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.528 4.387 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.675 5.946 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.211 5.321 0.108 1.00 0.00 H new ATOM 420 N LYS A 28 -12.225 8.615 1.318 1.00 0.00 N ATOM 421 CA LYS A 28 -13.318 8.358 2.260 1.00 0.00 C ATOM 422 C LYS A 28 -14.608 9.045 1.779 1.00 0.00 C ATOM 423 O LYS A 28 -15.718 8.549 2.003 1.00 0.00 O ATOM 424 CB LYS A 28 -12.962 8.820 3.677 1.00 0.00 C ATOM 425 CG LYS A 28 -13.955 8.351 4.738 1.00 0.00 C ATOM 426 CD LYS A 28 -13.550 8.778 6.146 1.00 0.00 C ATOM 427 CE LYS A 28 -13.527 10.294 6.286 1.00 0.00 C ATOM 428 NZ LYS A 28 -13.180 10.729 7.651 1.00 0.00 N ATOM 0 H LYS A 28 -11.552 9.312 1.635 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.481 7.281 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.969 8.451 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.912 9.909 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.942 8.752 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.036 7.265 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.247 8.356 6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.565 8.375 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.807 10.710 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.504 10.695 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.178 11.768 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.881 10.356 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.236 10.370 7.900 1.00 0.00 H new ATOM 442 N THR A 29 -14.467 10.179 1.093 1.00 0.00 N ATOM 443 CA THR A 29 -15.605 10.867 0.529 1.00 0.00 C ATOM 444 C THR A 29 -16.242 9.961 -0.531 1.00 0.00 C ATOM 445 O THR A 29 -17.476 9.695 -0.507 1.00 0.00 O ATOM 446 CB THR A 29 -15.204 12.235 -0.078 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.563 13.043 0.933 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.431 12.970 -0.605 1.00 0.00 C ATOM 0 H THR A 29 -13.570 10.633 0.920 1.00 0.00 H new ATOM 0 HA THR A 29 -16.325 11.077 1.320 1.00 0.00 H new ATOM 0 HB THR A 29 -14.517 12.059 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.680 12.671 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.128 13.928 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.911 12.369 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.133 13.139 0.212 1.00 0.00 H new ATOM 456 N ALA A 30 -15.401 9.457 -1.465 1.00 0.00 N ATOM 457 CA ALA A 30 -15.788 8.480 -2.413 1.00 0.00 C ATOM 458 C ALA A 30 -16.348 7.271 -1.729 1.00 0.00 C ATOM 459 O ALA A 30 -17.315 6.740 -2.156 1.00 0.00 O ATOM 460 CB ALA A 30 -14.595 8.063 -3.258 1.00 0.00 C ATOM 0 H ALA A 30 -14.427 9.747 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.554 8.918 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.907 7.311 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.200 8.932 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.821 7.646 -2.614 1.00 0.00 H new ATOM 466 N ALA A 31 -15.740 6.858 -0.649 1.00 0.00 N ATOM 467 CA ALA A 31 -16.169 5.695 0.128 1.00 0.00 C ATOM 468 C ALA A 31 -17.624 5.799 0.607 1.00 0.00 C ATOM 469 O ALA A 31 -18.290 4.780 0.765 1.00 0.00 O ATOM 470 CB ALA A 31 -15.271 5.505 1.316 1.00 0.00 C ATOM 0 H ALA A 31 -14.915 7.320 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 31 -16.103 4.836 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.601 4.636 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.247 5.349 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.312 6.391 1.949 1.00 0.00 H new ATOM 476 N SER A 32 -18.098 6.993 0.845 1.00 0.00 N ATOM 477 CA SER A 32 -19.446 7.159 1.291 1.00 0.00 C ATOM 478 C SER A 32 -20.421 7.135 0.100 1.00 0.00 C ATOM 479 O SER A 32 -21.423 6.427 0.132 1.00 0.00 O ATOM 480 CB SER A 32 -19.574 8.466 2.090 1.00 0.00 C ATOM 481 OG SER A 32 -20.864 8.621 2.663 1.00 0.00 O ATOM 0 H SER A 32 -17.569 7.859 0.737 1.00 0.00 H new ATOM 0 HA SER A 32 -19.708 6.328 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.823 8.482 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.365 9.312 1.435 1.00 0.00 H new ATOM 0 HG SER A 32 -20.901 9.463 3.163 1.00 0.00 H new ATOM 487 N GLN A 33 -20.109 7.904 -0.953 1.00 0.00 N ATOM 488 CA GLN A 33 -20.993 8.086 -2.116 1.00 0.00 C ATOM 489 C GLN A 33 -20.852 7.002 -3.179 1.00 0.00 C ATOM 490 O GLN A 33 -21.823 6.411 -3.644 1.00 0.00 O ATOM 491 CB GLN A 33 -20.595 9.397 -2.785 1.00 0.00 C ATOM 492 CG GLN A 33 -20.687 10.603 -1.918 1.00 0.00 C ATOM 493 CD GLN A 33 -22.103 10.990 -1.722 1.00 0.00 C ATOM 494 OE1 GLN A 33 -22.754 10.569 -0.775 1.00 0.00 O ATOM 495 NE2 GLN A 33 -22.602 11.752 -2.639 1.00 0.00 N ATOM 0 H GLN A 33 -19.232 8.420 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.017 8.059 -1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -19.571 9.306 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.229 9.548 -3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -20.221 10.402 -0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -20.137 11.428 -2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -22.015 12.076 -3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.582 12.030 -2.594 1.00 0.00 H new ATOM 504 N TYR A 34 -19.637 6.772 -3.540 1.00 0.00 N ATOM 505 CA TYR A 34 -19.253 5.992 -4.697 1.00 0.00 C ATOM 506 C TYR A 34 -18.957 4.572 -4.264 1.00 0.00 C ATOM 507 O TYR A 34 -19.443 3.614 -4.862 1.00 0.00 O ATOM 508 CB TYR A 34 -18.011 6.710 -5.323 1.00 0.00 C ATOM 509 CG TYR A 34 -18.305 8.162 -5.676 1.00 0.00 C ATOM 510 CD1 TYR A 34 -19.538 8.551 -6.220 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.380 9.158 -5.422 1.00 0.00 C ATOM 512 CE1 TYR A 34 -19.814 9.873 -6.485 1.00 0.00 C ATOM 513 CE2 TYR A 34 -17.651 10.478 -5.696 1.00 0.00 C ATOM 514 CZ TYR A 34 -18.871 10.832 -6.223 1.00 0.00 C ATOM 515 OH TYR A 34 -19.150 12.155 -6.471 1.00 0.00 O ATOM 0 H TYR A 34 -18.836 7.133 -3.021 1.00 0.00 H new ATOM 0 HA TYR A 34 -20.043 5.927 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.178 6.670 -4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.698 6.176 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -20.284 7.800 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -16.422 8.893 -4.999 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -20.771 10.154 -6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.907 11.235 -5.498 1.00 0.00 H new ATOM 0 HH TYR A 34 -18.375 12.704 -6.229 1.00 0.00 H new ATOM 525 N GLY A 35 -18.233 4.473 -3.174 1.00 0.00 N ATOM 526 CA GLY A 35 -17.903 3.237 -2.531 1.00 0.00 C ATOM 527 C GLY A 35 -17.398 2.128 -3.417 1.00 0.00 C ATOM 528 O GLY A 35 -16.617 2.333 -4.338 1.00 0.00 O ATOM 0 H GLY A 35 -17.846 5.287 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.146 3.439 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.789 2.878 -2.008 1.00 0.00 H new ATOM 532 N ALA A 36 -17.898 0.977 -3.123 1.00 0.00 N ATOM 533 CA ALA A 36 -17.523 -0.266 -3.726 1.00 0.00 C ATOM 534 C ALA A 36 -17.717 -0.293 -5.216 1.00 0.00 C ATOM 535 O ALA A 36 -18.747 0.120 -5.740 1.00 0.00 O ATOM 536 CB ALA A 36 -18.335 -1.341 -3.090 1.00 0.00 C ATOM 0 H ALA A 36 -18.623 0.867 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.455 -0.413 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.072 -2.303 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.134 -1.364 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.394 -1.144 -3.256 1.00 0.00 H new ATOM 542 N THR A 37 -16.668 -0.718 -5.888 1.00 0.00 N ATOM 543 CA THR A 37 -16.609 -1.000 -7.309 1.00 0.00 C ATOM 544 C THR A 37 -16.613 0.234 -8.211 1.00 0.00 C ATOM 545 O THR A 37 -16.394 0.107 -9.414 1.00 0.00 O ATOM 546 CB THR A 37 -17.621 -2.058 -7.819 1.00 0.00 C ATOM 547 OG1 THR A 37 -18.966 -1.571 -7.801 1.00 0.00 O ATOM 548 CG2 THR A 37 -17.563 -3.316 -7.001 1.00 0.00 C ATOM 0 H THR A 37 -15.774 -0.887 -5.427 1.00 0.00 H new ATOM 0 HA THR A 37 -15.621 -1.453 -7.396 1.00 0.00 H new ATOM 0 HB THR A 37 -17.332 -2.273 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.007 -0.742 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.286 -4.035 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.561 -3.742 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.800 -3.086 -5.962 1.00 0.00 H new ATOM 556 N ALA A 38 -16.846 1.406 -7.641 1.00 0.00 N ATOM 557 CA ALA A 38 -16.833 2.636 -8.407 1.00 0.00 C ATOM 558 C ALA A 38 -15.422 2.927 -8.917 1.00 0.00 C ATOM 559 O ALA A 38 -14.505 3.107 -8.099 1.00 0.00 O ATOM 560 CB ALA A 38 -17.347 3.796 -7.573 1.00 0.00 C ATOM 0 H ALA A 38 -17.046 1.528 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.496 2.514 -9.264 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.328 4.709 -8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.369 3.591 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.713 3.922 -6.695 1.00 0.00 H new ATOM 566 N PRO A 39 -15.228 2.982 -10.269 1.00 0.00 N ATOM 567 CA PRO A 39 -13.915 3.205 -10.916 1.00 0.00 C ATOM 568 C PRO A 39 -13.135 4.356 -10.311 1.00 0.00 C ATOM 569 O PRO A 39 -11.913 4.311 -10.245 1.00 0.00 O ATOM 570 CB PRO A 39 -14.292 3.513 -12.365 1.00 0.00 C ATOM 571 CG PRO A 39 -15.529 2.722 -12.580 1.00 0.00 C ATOM 572 CD PRO A 39 -16.286 2.814 -11.287 1.00 0.00 C ATOM 0 HA PRO A 39 -13.257 2.344 -10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.466 4.578 -12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.502 3.218 -13.056 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.114 3.123 -13.408 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.296 1.686 -12.827 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.978 3.656 -11.288 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.877 1.916 -11.105 1.00 0.00 H new ATOM 580 N TYR A 40 -13.852 5.350 -9.850 1.00 0.00 N ATOM 581 CA TYR A 40 -13.277 6.493 -9.193 1.00 0.00 C ATOM 582 C TYR A 40 -12.405 6.091 -7.969 1.00 0.00 C ATOM 583 O TYR A 40 -11.183 6.296 -7.990 1.00 0.00 O ATOM 584 CB TYR A 40 -14.385 7.472 -8.787 1.00 0.00 C ATOM 585 CG TYR A 40 -13.884 8.738 -8.126 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.202 9.698 -8.853 1.00 0.00 C ATOM 587 CD2 TYR A 40 -14.086 8.961 -6.778 1.00 0.00 C ATOM 588 CE1 TYR A 40 -12.738 10.852 -8.253 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.625 10.110 -6.168 1.00 0.00 C ATOM 590 CZ TYR A 40 -12.953 11.050 -6.906 1.00 0.00 C ATOM 591 OH TYR A 40 -12.501 12.190 -6.298 1.00 0.00 O ATOM 0 H TYR A 40 -14.869 5.387 -9.923 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.609 6.986 -9.900 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.959 7.741 -9.674 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.069 6.966 -8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.030 9.542 -9.908 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.614 8.224 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.211 11.594 -8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.793 10.268 -5.113 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.738 12.170 -5.347 1.00 0.00 H new ATOM 601 N THR A 41 -13.015 5.477 -6.913 1.00 0.00 N ATOM 602 CA THR A 41 -12.330 5.179 -5.658 1.00 0.00 C ATOM 603 C THR A 41 -11.121 4.244 -5.867 1.00 0.00 C ATOM 604 O THR A 41 -10.038 4.496 -5.332 1.00 0.00 O ATOM 605 CB THR A 41 -13.328 4.614 -4.566 1.00 0.00 C ATOM 606 OG1 THR A 41 -12.720 4.586 -3.277 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.778 3.209 -4.897 1.00 0.00 C ATOM 0 H THR A 41 -13.992 5.183 -6.926 1.00 0.00 H new ATOM 0 HA THR A 41 -11.938 6.123 -5.279 1.00 0.00 H new ATOM 0 HB THR A 41 -14.187 5.284 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.358 4.235 -2.622 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.462 2.855 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.287 3.207 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.911 2.551 -4.943 1.00 0.00 H new ATOM 615 N LEU A 42 -11.267 3.215 -6.691 1.00 0.00 N ATOM 616 CA LEU A 42 -10.167 2.307 -6.883 1.00 0.00 C ATOM 617 C LEU A 42 -9.061 2.842 -7.759 1.00 0.00 C ATOM 618 O LEU A 42 -7.926 2.398 -7.646 1.00 0.00 O ATOM 619 CB LEU A 42 -10.514 0.797 -7.092 1.00 0.00 C ATOM 620 CG LEU A 42 -11.704 0.368 -7.983 1.00 0.00 C ATOM 621 CD1 LEU A 42 -13.030 0.547 -7.277 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.693 1.047 -9.335 1.00 0.00 C ATOM 0 H LEU A 42 -12.113 3.000 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.732 2.273 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.623 0.318 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.684 0.369 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.578 -0.698 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.839 0.234 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.045 -0.060 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.163 1.596 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.550 0.710 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.749 2.127 -9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.773 0.794 -9.862 1.00 0.00 H new ATOM 634 N ALA A 43 -9.376 3.826 -8.600 1.00 0.00 N ATOM 635 CA ALA A 43 -8.348 4.512 -9.380 1.00 0.00 C ATOM 636 C ALA A 43 -7.446 5.262 -8.424 1.00 0.00 C ATOM 637 O ALA A 43 -6.223 5.325 -8.601 1.00 0.00 O ATOM 638 CB ALA A 43 -8.971 5.471 -10.395 1.00 0.00 C ATOM 0 H ALA A 43 -10.326 4.163 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.770 3.779 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.181 5.966 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.610 4.912 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.566 6.219 -9.871 1.00 0.00 H new ATOM 644 N ILE A 44 -8.060 5.782 -7.387 1.00 0.00 N ATOM 645 CA ILE A 44 -7.359 6.489 -6.349 1.00 0.00 C ATOM 646 C ILE A 44 -6.496 5.500 -5.542 1.00 0.00 C ATOM 647 O ILE A 44 -5.310 5.743 -5.378 1.00 0.00 O ATOM 648 CB ILE A 44 -8.351 7.229 -5.435 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.223 8.160 -6.277 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.605 8.041 -4.366 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.449 8.640 -5.560 1.00 0.00 C ATOM 0 H ILE A 44 -9.068 5.724 -7.242 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.705 7.235 -6.802 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.978 6.493 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.630 9.022 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.524 7.640 -7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.326 8.556 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.999 7.370 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.960 8.774 -4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.021 9.296 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.063 7.785 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.156 9.188 -4.665 1.00 0.00 H new ATOM 663 N VAL A 45 -7.095 4.353 -5.108 1.00 0.00 N ATOM 664 CA VAL A 45 -6.357 3.274 -4.362 1.00 0.00 C ATOM 665 C VAL A 45 -5.002 2.975 -5.034 1.00 0.00 C ATOM 666 O VAL A 45 -3.918 3.102 -4.416 1.00 0.00 O ATOM 667 CB VAL A 45 -7.183 1.920 -4.298 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.394 0.787 -3.643 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.496 2.085 -3.565 1.00 0.00 C ATOM 0 H VAL A 45 -8.083 4.147 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.207 3.649 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.384 1.657 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.003 -0.117 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.485 0.600 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.131 1.069 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.025 1.132 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.304 2.412 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.107 2.830 -4.076 1.00 0.00 H new ATOM 679 N GLU A 46 -5.057 2.658 -6.308 1.00 0.00 N ATOM 680 CA GLU A 46 -3.861 2.316 -7.049 1.00 0.00 C ATOM 681 C GLU A 46 -2.943 3.511 -7.329 1.00 0.00 C ATOM 682 O GLU A 46 -1.744 3.328 -7.484 1.00 0.00 O ATOM 683 CB GLU A 46 -4.185 1.568 -8.322 1.00 0.00 C ATOM 684 CG GLU A 46 -5.234 2.232 -9.171 1.00 0.00 C ATOM 685 CD GLU A 46 -5.380 1.577 -10.493 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.767 0.400 -10.544 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.070 2.210 -11.514 1.00 0.00 O ATOM 0 H GLU A 46 -5.918 2.629 -6.854 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.298 1.651 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.273 1.458 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.522 0.564 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.190 2.209 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.974 3.281 -9.314 1.00 0.00 H new ATOM 694 N SER A 47 -3.484 4.728 -7.339 1.00 0.00 N ATOM 695 CA SER A 47 -2.677 5.912 -7.599 1.00 0.00 C ATOM 696 C SER A 47 -1.884 6.269 -6.342 1.00 0.00 C ATOM 697 O SER A 47 -0.764 6.789 -6.420 1.00 0.00 O ATOM 698 CB SER A 47 -3.575 7.091 -8.037 1.00 0.00 C ATOM 699 OG SER A 47 -2.819 8.211 -8.486 1.00 0.00 O ATOM 0 H SER A 47 -4.472 4.917 -7.171 1.00 0.00 H new ATOM 0 HA SER A 47 -1.980 5.705 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.240 6.761 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.206 7.393 -7.201 1.00 0.00 H new ATOM 0 HG SER A 47 -3.428 8.931 -8.754 1.00 0.00 H new ATOM 705 N VAL A 48 -2.438 5.951 -5.184 1.00 0.00 N ATOM 706 CA VAL A 48 -1.750 6.215 -3.931 1.00 0.00 C ATOM 707 C VAL A 48 -0.642 5.190 -3.735 1.00 0.00 C ATOM 708 O VAL A 48 0.382 5.471 -3.139 1.00 0.00 O ATOM 709 CB VAL A 48 -2.707 6.194 -2.711 1.00 0.00 C ATOM 710 CG1 VAL A 48 -1.995 6.643 -1.443 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.903 7.067 -2.961 1.00 0.00 C ATOM 0 H VAL A 48 -3.354 5.514 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.331 7.219 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.040 5.166 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.692 6.617 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.159 5.974 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.623 7.659 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.562 7.039 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.575 8.092 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.441 6.705 -3.837 1.00 0.00 H new ATOM 721 N ALA A 49 -0.840 3.996 -4.271 1.00 0.00 N ATOM 722 CA ALA A 49 0.196 2.969 -4.191 1.00 0.00 C ATOM 723 C ALA A 49 1.147 3.047 -5.358 1.00 0.00 C ATOM 724 O ALA A 49 2.061 2.244 -5.475 1.00 0.00 O ATOM 725 CB ALA A 49 -0.411 1.580 -4.043 1.00 0.00 C ATOM 0 H ALA A 49 -1.690 3.714 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 49 0.782 3.162 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.386 0.839 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.010 1.540 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.045 1.366 -4.904 1.00 0.00 H new ATOM 731 N ASP A 50 0.954 4.034 -6.193 1.00 0.00 N ATOM 732 CA ASP A 50 1.802 4.218 -7.355 1.00 0.00 C ATOM 733 C ASP A 50 3.024 5.021 -6.970 1.00 0.00 C ATOM 734 O ASP A 50 4.003 5.101 -7.703 1.00 0.00 O ATOM 735 CB ASP A 50 1.022 4.877 -8.497 1.00 0.00 C ATOM 736 CG ASP A 50 1.806 4.964 -9.785 1.00 0.00 C ATOM 737 OD1 ASP A 50 1.884 3.941 -10.530 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.327 6.049 -10.094 1.00 0.00 O ATOM 0 H ASP A 50 0.214 4.730 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 50 2.135 3.245 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.106 4.313 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.724 5.880 -8.193 1.00 0.00 H new ATOM 743 N ASN A 51 2.968 5.589 -5.801 1.00 0.00 N ATOM 744 CA ASN A 51 4.078 6.336 -5.292 1.00 0.00 C ATOM 745 C ASN A 51 4.735 5.534 -4.222 1.00 0.00 C ATOM 746 O ASN A 51 4.229 4.481 -3.835 1.00 0.00 O ATOM 747 CB ASN A 51 3.690 7.738 -4.793 1.00 0.00 C ATOM 748 CG ASN A 51 2.762 7.769 -3.595 1.00 0.00 C ATOM 749 OD1 ASN A 51 3.186 7.696 -2.449 1.00 0.00 O ATOM 750 ND2 ASN A 51 1.507 7.987 -3.853 1.00 0.00 N ATOM 0 H ASN A 51 2.160 5.548 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 51 4.776 6.513 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.601 8.280 -4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.216 8.278 -5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.842 8.103 -3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.187 8.042 -4.820 1.00 0.00 H new ATOM 757 N TRP A 52 5.847 5.995 -3.749 1.00 0.00 N ATOM 758 CA TRP A 52 6.575 5.260 -2.764 1.00 0.00 C ATOM 759 C TRP A 52 6.004 5.542 -1.399 1.00 0.00 C ATOM 760 O TRP A 52 5.976 6.679 -0.953 1.00 0.00 O ATOM 761 CB TRP A 52 8.083 5.584 -2.815 1.00 0.00 C ATOM 762 CG TRP A 52 8.664 5.410 -4.188 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.402 4.394 -5.052 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.611 6.254 -4.850 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.075 4.577 -6.227 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.834 5.699 -6.129 1.00 0.00 C ATOM 767 CE3 TRP A 52 10.281 7.425 -4.502 1.00 0.00 C ATOM 768 CZ2 TRP A 52 10.687 6.279 -7.054 1.00 0.00 C ATOM 769 CZ3 TRP A 52 11.138 7.991 -5.426 1.00 0.00 C ATOM 770 CH2 TRP A 52 11.332 7.416 -6.687 1.00 0.00 C ATOM 0 H TRP A 52 6.273 6.879 -4.029 1.00 0.00 H new ATOM 0 HA TRP A 52 6.472 4.196 -2.978 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.242 6.611 -2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.614 4.938 -2.115 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.752 3.558 -4.839 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.017 3.970 -7.045 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.134 7.879 -3.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.833 5.843 -8.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.669 8.896 -5.170 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.010 7.887 -7.384 1.00 0.00 H new ATOM 781 N LEU A 53 5.505 4.533 -0.773 1.00 0.00 N ATOM 782 CA LEU A 53 4.962 4.661 0.547 1.00 0.00 C ATOM 783 C LEU A 53 5.361 3.455 1.381 1.00 0.00 C ATOM 784 O LEU A 53 6.043 2.569 0.884 1.00 0.00 O ATOM 785 CB LEU A 53 3.423 4.934 0.532 1.00 0.00 C ATOM 786 CG LEU A 53 2.431 3.808 0.145 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.023 4.354 0.206 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.697 3.242 -1.241 1.00 0.00 C ATOM 0 H LEU A 53 5.459 3.590 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 53 5.390 5.544 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.147 5.278 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.250 5.765 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 53 2.564 2.991 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.316 3.569 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.811 4.700 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.925 5.187 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.972 2.457 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.606 4.036 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.704 2.826 -1.277 1.00 0.00 H new ATOM 800 N THR A 54 5.006 3.444 2.641 1.00 0.00 N ATOM 801 CA THR A 54 5.381 2.351 3.512 1.00 0.00 C ATOM 802 C THR A 54 4.143 1.536 3.888 1.00 0.00 C ATOM 803 O THR A 54 3.010 1.990 3.659 1.00 0.00 O ATOM 804 CB THR A 54 6.029 2.901 4.812 1.00 0.00 C ATOM 805 OG1 THR A 54 5.083 3.707 5.520 1.00 0.00 O ATOM 806 CG2 THR A 54 7.269 3.739 4.512 1.00 0.00 C ATOM 0 H THR A 54 4.458 4.178 3.090 1.00 0.00 H new ATOM 0 HA THR A 54 6.095 1.719 2.985 1.00 0.00 H new ATOM 0 HB THR A 54 6.329 2.047 5.419 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.867 4.502 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.695 4.106 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.006 3.126 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.993 4.584 3.882 1.00 0.00 H new ATOM 814 N PRO A 55 4.315 0.314 4.478 1.00 0.00 N ATOM 815 CA PRO A 55 3.185 -0.451 5.008 1.00 0.00 C ATOM 816 C PRO A 55 2.448 0.340 6.114 1.00 0.00 C ATOM 817 O PRO A 55 1.260 0.107 6.388 1.00 0.00 O ATOM 818 CB PRO A 55 3.819 -1.729 5.580 1.00 0.00 C ATOM 819 CG PRO A 55 5.288 -1.461 5.645 1.00 0.00 C ATOM 820 CD PRO A 55 5.582 -0.448 4.582 1.00 0.00 C ATOM 0 HA PRO A 55 2.438 -0.665 4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.419 -1.955 6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.606 -2.589 4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.571 -1.085 6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.857 -2.375 5.478 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.417 0.196 4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.845 -0.922 3.636 1.00 0.00 H new ATOM 828 N THR A 56 3.162 1.289 6.710 1.00 0.00 N ATOM 829 CA THR A 56 2.630 2.164 7.720 1.00 0.00 C ATOM 830 C THR A 56 1.613 3.125 7.081 1.00 0.00 C ATOM 831 O THR A 56 0.504 3.325 7.617 1.00 0.00 O ATOM 832 CB THR A 56 3.790 2.925 8.402 1.00 0.00 C ATOM 833 OG1 THR A 56 4.769 1.948 8.837 1.00 0.00 O ATOM 834 CG2 THR A 56 3.307 3.729 9.613 1.00 0.00 C ATOM 0 H THR A 56 4.143 1.466 6.493 1.00 0.00 H new ATOM 0 HA THR A 56 2.110 1.588 8.486 1.00 0.00 H new ATOM 0 HB THR A 56 4.219 3.629 7.689 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.518 2.407 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.152 4.249 10.065 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.562 4.457 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.864 3.054 10.345 1.00 0.00 H new ATOM 842 N ASP A 57 1.968 3.676 5.907 1.00 0.00 N ATOM 843 CA ASP A 57 1.046 4.523 5.131 1.00 0.00 C ATOM 844 C ASP A 57 -0.149 3.705 4.788 1.00 0.00 C ATOM 845 O ASP A 57 -1.283 4.119 5.004 1.00 0.00 O ATOM 846 CB ASP A 57 1.680 5.034 3.819 1.00 0.00 C ATOM 847 CG ASP A 57 2.817 6.002 3.997 1.00 0.00 C ATOM 848 OD1 ASP A 57 3.985 5.560 4.075 1.00 0.00 O ATOM 849 OD2 ASP A 57 2.578 7.212 4.035 1.00 0.00 O ATOM 0 H ASP A 57 2.884 3.550 5.476 1.00 0.00 H new ATOM 0 HA ASP A 57 0.790 5.392 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.038 4.177 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.905 5.513 3.221 1.00 0.00 H new ATOM 854 N TRP A 58 0.129 2.507 4.312 1.00 0.00 N ATOM 855 CA TRP A 58 -0.873 1.535 3.952 1.00 0.00 C ATOM 856 C TRP A 58 -1.920 1.290 5.051 1.00 0.00 C ATOM 857 O TRP A 58 -3.103 1.538 4.832 1.00 0.00 O ATOM 858 CB TRP A 58 -0.232 0.215 3.547 1.00 0.00 C ATOM 859 CG TRP A 58 0.264 0.128 2.124 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.074 1.019 1.101 1.00 0.00 C ATOM 861 CD2 TRP A 58 0.979 -0.966 1.567 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.654 0.540 -0.051 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.212 -0.676 0.211 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.459 -2.165 2.089 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.892 -1.545 -0.626 1.00 0.00 C ATOM 866 CZ3 TRP A 58 2.127 -3.027 1.253 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.340 -2.716 -0.085 1.00 0.00 C ATOM 0 H TRP A 58 1.083 2.179 4.163 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.403 1.964 3.102 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.607 0.021 4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.958 -0.582 3.707 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.453 1.958 1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.665 1.016 -0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.309 -2.412 3.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.061 -1.306 -1.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.494 -3.965 1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.872 -3.417 -0.711 1.00 0.00 H new ATOM 878 N ASN A 59 -1.496 0.821 6.222 1.00 0.00 N ATOM 879 CA ASN A 59 -2.458 0.459 7.297 1.00 0.00 C ATOM 880 C ASN A 59 -3.311 1.659 7.684 1.00 0.00 C ATOM 881 O ASN A 59 -4.519 1.556 7.875 1.00 0.00 O ATOM 882 CB ASN A 59 -1.737 -0.075 8.537 1.00 0.00 C ATOM 883 CG ASN A 59 -2.711 -0.615 9.582 1.00 0.00 C ATOM 884 OD1 ASN A 59 -3.785 -1.124 9.247 1.00 0.00 O ATOM 885 ND2 ASN A 59 -2.350 -0.519 10.832 1.00 0.00 N ATOM 0 H ASN A 59 -0.515 0.679 6.463 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.101 -0.328 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.048 -0.866 8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.138 0.722 8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.962 -0.870 11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.455 -0.093 11.073 1.00 0.00 H new ATOM 892 N THR A 60 -2.669 2.792 7.671 1.00 0.00 N ATOM 893 CA THR A 60 -3.344 4.014 8.029 1.00 0.00 C ATOM 894 C THR A 60 -4.418 4.358 6.958 1.00 0.00 C ATOM 895 O THR A 60 -5.576 4.699 7.276 1.00 0.00 O ATOM 896 CB THR A 60 -2.318 5.155 8.170 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.256 4.716 9.062 1.00 0.00 O ATOM 898 CG2 THR A 60 -2.974 6.396 8.757 1.00 0.00 C ATOM 0 H THR A 60 -1.686 2.899 7.419 1.00 0.00 H new ATOM 0 HA THR A 60 -3.847 3.885 8.987 1.00 0.00 H new ATOM 0 HB THR A 60 -1.920 5.401 7.186 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.482 4.430 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.233 7.190 8.849 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.780 6.726 8.102 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.379 6.162 9.742 1.00 0.00 H new ATOM 906 N LEU A 61 -4.026 4.178 5.702 1.00 0.00 N ATOM 907 CA LEU A 61 -4.841 4.466 4.551 1.00 0.00 C ATOM 908 C LEU A 61 -6.113 3.619 4.583 1.00 0.00 C ATOM 909 O LEU A 61 -7.192 4.162 4.767 1.00 0.00 O ATOM 910 CB LEU A 61 -4.004 4.185 3.269 1.00 0.00 C ATOM 911 CG LEU A 61 -4.493 4.688 1.886 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.448 4.365 0.839 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.799 4.060 1.459 1.00 0.00 C ATOM 0 H LEU A 61 -3.103 3.817 5.460 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.145 5.513 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.012 4.607 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.882 3.104 3.194 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.652 5.762 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.788 4.717 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.511 4.858 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.292 3.287 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.089 4.451 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.679 2.979 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.572 4.296 2.190 1.00 0.00 H new ATOM 925 N VAL A 62 -5.951 2.290 4.490 1.00 0.00 N ATOM 926 CA VAL A 62 -7.094 1.359 4.383 1.00 0.00 C ATOM 927 C VAL A 62 -8.051 1.532 5.530 1.00 0.00 C ATOM 928 O VAL A 62 -9.265 1.684 5.347 1.00 0.00 O ATOM 929 CB VAL A 62 -6.654 -0.156 4.257 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.683 -0.580 5.362 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.870 -1.066 4.273 1.00 0.00 C ATOM 0 H VAL A 62 -5.040 1.832 4.486 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.603 1.620 3.455 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.133 -0.251 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.414 -1.628 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.784 0.035 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.159 -0.449 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.549 -2.104 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.413 -0.932 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.522 -0.816 3.436 1.00 0.00 H new ATOM 941 N ARG A 63 -7.474 1.560 6.687 1.00 0.00 N ATOM 942 CA ARG A 63 -8.204 1.667 7.935 1.00 0.00 C ATOM 943 C ARG A 63 -9.071 2.937 8.038 1.00 0.00 C ATOM 944 O ARG A 63 -10.138 2.911 8.652 1.00 0.00 O ATOM 945 CB ARG A 63 -7.252 1.444 9.150 1.00 0.00 C ATOM 946 CG ARG A 63 -7.759 1.885 10.524 1.00 0.00 C ATOM 947 CD ARG A 63 -7.481 3.356 10.767 1.00 0.00 C ATOM 948 NE ARG A 63 -8.150 3.861 11.968 1.00 0.00 N ATOM 949 CZ ARG A 63 -7.970 5.086 12.497 1.00 0.00 C ATOM 950 NH1 ARG A 63 -7.063 5.929 11.984 1.00 0.00 N ATOM 951 NH2 ARG A 63 -8.691 5.452 13.552 1.00 0.00 N ATOM 0 H ARG A 63 -6.462 1.509 6.807 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.937 0.860 7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.014 0.382 9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.319 1.970 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.830 1.698 10.596 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.279 1.289 11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.406 3.509 10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.809 3.932 9.902 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.803 3.236 12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.499 5.645 11.183 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.937 6.854 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.372 4.807 13.953 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.563 6.378 13.961 1.00 0.00 H new ATOM 965 N ALA A 64 -8.649 4.020 7.436 1.00 0.00 N ATOM 966 CA ALA A 64 -9.409 5.244 7.561 1.00 0.00 C ATOM 967 C ALA A 64 -10.331 5.485 6.345 1.00 0.00 C ATOM 968 O ALA A 64 -11.495 5.856 6.498 1.00 0.00 O ATOM 969 CB ALA A 64 -8.468 6.421 7.760 1.00 0.00 C ATOM 0 H ALA A 64 -7.805 4.084 6.867 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.053 5.145 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.048 7.339 7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.882 6.269 8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.798 6.500 6.904 1.00 0.00 H new ATOM 975 N VAL A 65 -9.781 5.291 5.180 1.00 0.00 N ATOM 976 CA VAL A 65 -10.482 5.599 3.912 1.00 0.00 C ATOM 977 C VAL A 65 -11.833 4.885 3.708 1.00 0.00 C ATOM 978 O VAL A 65 -12.795 5.510 3.312 1.00 0.00 O ATOM 979 CB VAL A 65 -9.599 5.428 2.655 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.396 6.348 2.727 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.181 3.980 2.454 1.00 0.00 C ATOM 0 H VAL A 65 -8.840 4.918 5.055 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.710 6.658 4.033 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.193 5.709 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.783 6.216 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.733 7.383 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.806 6.107 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.562 3.901 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.613 3.642 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.068 3.358 2.337 1.00 0.00 H new ATOM 991 N LEU A 66 -11.908 3.610 3.976 1.00 0.00 N ATOM 992 CA LEU A 66 -13.148 2.881 3.755 1.00 0.00 C ATOM 993 C LEU A 66 -13.764 2.473 5.057 1.00 0.00 C ATOM 994 O LEU A 66 -13.077 2.373 6.078 1.00 0.00 O ATOM 995 CB LEU A 66 -12.927 1.650 2.851 1.00 0.00 C ATOM 996 CG LEU A 66 -13.354 1.748 1.370 1.00 0.00 C ATOM 997 CD1 LEU A 66 -14.863 1.851 1.243 1.00 0.00 C ATOM 998 CD2 LEU A 66 -12.681 2.909 0.676 1.00 0.00 C ATOM 0 H LEU A 66 -11.139 3.050 4.344 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.836 3.552 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.865 1.404 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.459 0.810 3.296 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.031 0.831 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.136 1.919 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.326 0.967 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.212 2.741 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.004 2.948 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.953 3.839 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.599 2.779 0.715 1.00 0.00 H new ATOM 1010 N SER A 67 -15.059 2.292 5.046 1.00 0.00 N ATOM 1011 CA SER A 67 -15.765 1.869 6.207 1.00 0.00 C ATOM 1012 C SER A 67 -16.484 0.543 5.894 1.00 0.00 C ATOM 1013 O SER A 67 -17.278 0.467 4.951 1.00 0.00 O ATOM 1014 CB SER A 67 -16.789 2.945 6.579 1.00 0.00 C ATOM 1015 OG SER A 67 -16.204 4.253 6.562 1.00 0.00 O ATOM 0 H SER A 67 -15.647 2.437 4.225 1.00 0.00 H new ATOM 0 HA SER A 67 -15.078 1.720 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.625 2.910 5.881 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.192 2.738 7.570 1.00 0.00 H new ATOM 0 HG SER A 67 -16.883 4.918 6.802 1.00 0.00 H new ATOM 1021 N GLY A 68 -16.146 -0.492 6.618 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.829 -1.756 6.498 1.00 0.00 C ATOM 1023 C GLY A 68 -16.106 -2.740 5.610 1.00 0.00 C ATOM 1024 O GLY A 68 -15.411 -3.639 6.101 1.00 0.00 O ATOM 0 H GLY A 68 -15.392 -0.484 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.950 -2.192 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.830 -1.585 6.101 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.236 -2.556 4.316 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.697 -3.499 3.348 1.00 0.00 C ATOM 1030 C GLY A 69 -14.183 -3.545 3.251 1.00 0.00 C ATOM 1031 O GLY A 69 -13.637 -4.577 2.854 1.00 0.00 O ATOM 0 H GLY A 69 -16.714 -1.756 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.058 -4.496 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.099 -3.253 2.365 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.530 -2.466 3.654 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.077 -2.291 3.526 1.00 0.00 C ATOM 1037 C ASP A 70 -11.247 -3.532 3.916 1.00 0.00 C ATOM 1038 O ASP A 70 -10.810 -4.297 3.036 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.628 -1.076 4.392 1.00 0.00 C ATOM 1040 CG ASP A 70 -12.195 -1.080 5.828 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -13.334 -0.663 6.033 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -11.527 -1.581 6.757 1.00 0.00 O ATOM 0 H ASP A 70 -13.996 -1.669 4.088 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.884 -2.121 2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.539 -1.063 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.935 -0.156 3.894 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.120 -3.767 5.201 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.286 -4.806 5.757 1.00 0.00 C ATOM 1049 C HIS A 71 -10.669 -6.183 5.250 1.00 0.00 C ATOM 1050 O HIS A 71 -9.800 -6.970 4.889 1.00 0.00 O ATOM 1051 CB HIS A 71 -10.346 -4.752 7.291 1.00 0.00 C ATOM 1052 CG HIS A 71 -9.392 -5.666 8.013 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -9.797 -6.755 8.738 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -8.043 -5.610 8.152 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.750 -7.328 9.297 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -7.675 -6.655 8.956 1.00 0.00 N ATOM 0 H HIS A 71 -11.610 -3.223 5.911 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.263 -4.626 5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.150 -3.728 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.361 -4.994 7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.383 -4.878 7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.772 -8.203 9.929 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.721 -6.875 9.243 1.00 0.00 H new ATOM 1065 N LEU A 72 -11.948 -6.451 5.180 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.407 -7.753 4.781 1.00 0.00 C ATOM 1067 C LEU A 72 -12.003 -8.141 3.349 1.00 0.00 C ATOM 1068 O LEU A 72 -11.266 -9.108 3.177 1.00 0.00 O ATOM 1069 CB LEU A 72 -13.890 -8.033 5.189 1.00 0.00 C ATOM 1070 CG LEU A 72 -14.970 -6.981 4.863 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.456 -7.059 3.425 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.120 -7.107 5.831 1.00 0.00 C ATOM 0 H LEU A 72 -12.689 -5.783 5.395 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.850 -8.475 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.190 -8.968 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.908 -8.200 6.266 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.511 -5.999 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.215 -6.295 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.618 -6.895 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.885 -8.044 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.878 -6.361 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.554 -8.104 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.759 -6.948 6.847 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.362 -7.357 2.341 1.00 0.00 N ATOM 1085 CA LEU A 73 -11.969 -7.733 0.986 1.00 0.00 C ATOM 1086 C LEU A 73 -10.562 -7.307 0.646 1.00 0.00 C ATOM 1087 O LEU A 73 -9.726 -8.171 0.385 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.949 -7.279 -0.084 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.994 -8.325 -0.577 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -13.330 -9.580 -1.103 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -15.014 -8.666 0.483 1.00 0.00 C ATOM 0 H LEU A 73 -12.900 -6.495 2.424 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.993 -8.823 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.490 -6.414 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.375 -6.941 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.527 -7.853 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.093 -10.283 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.681 -9.325 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.737 -10.037 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.718 -9.398 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.508 -9.082 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.553 -7.764 0.773 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.282 -5.989 0.673 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.960 -5.475 0.432 1.00 0.00 C ATOM 1105 C TRP A 74 -7.907 -6.243 1.241 1.00 0.00 C ATOM 1106 O TRP A 74 -6.976 -6.788 0.736 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.857 -3.995 0.858 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.643 -2.925 0.092 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.589 -3.055 -0.896 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.424 -1.524 0.231 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.060 -1.784 -1.266 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.349 -0.838 -0.573 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.551 -0.816 0.998 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.413 0.564 -0.611 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.589 0.582 0.968 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.529 1.257 0.176 1.00 0.00 C ATOM 0 H TRP A 74 -10.979 -5.269 0.864 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.778 -5.586 -0.637 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.161 -3.936 1.903 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.804 -3.717 0.816 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.920 -3.990 -1.323 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.805 -1.597 -1.937 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.836 -1.329 1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.130 1.077 -1.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.886 1.148 1.562 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.557 2.337 0.186 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.115 -6.327 2.475 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.077 -6.805 3.343 1.00 0.00 C ATOM 1129 C LYS A 75 -6.954 -8.286 3.521 1.00 0.00 C ATOM 1130 O LYS A 75 -5.829 -8.765 3.610 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.986 -6.020 4.615 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.737 -4.558 4.340 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.322 -4.301 3.829 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.323 -4.298 5.014 1.00 0.00 C ATOM 1135 NZ LYS A 75 -2.916 -4.025 4.641 1.00 0.00 N ATOM 0 H LYS A 75 -8.989 -6.077 2.938 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.170 -6.598 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.910 -6.133 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.182 -6.418 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.458 -4.200 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.902 -3.985 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.042 -5.069 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.283 -3.345 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.643 -3.550 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.370 -5.266 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.280 -4.525 5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.744 -4.355 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.734 -3.003 4.696 1.00 0.00 H new ATOM 1149 N SER A 76 -8.052 -9.048 3.547 1.00 0.00 N ATOM 1150 CA SER A 76 -7.871 -10.489 3.692 1.00 0.00 C ATOM 1151 C SER A 76 -7.187 -11.002 2.414 1.00 0.00 C ATOM 1152 O SER A 76 -6.293 -11.881 2.457 1.00 0.00 O ATOM 1153 CB SER A 76 -9.193 -11.219 3.976 1.00 0.00 C ATOM 1154 OG SER A 76 -8.957 -12.521 4.498 1.00 0.00 O ATOM 0 H SER A 76 -9.014 -8.717 3.475 1.00 0.00 H new ATOM 0 HA SER A 76 -7.244 -10.697 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.786 -10.641 4.685 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.776 -11.292 3.058 1.00 0.00 H new ATOM 0 HG SER A 76 -9.814 -12.964 4.672 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.528 -10.359 1.304 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.887 -10.644 0.050 1.00 0.00 C ATOM 1162 C GLU A 77 -5.436 -10.207 0.070 1.00 0.00 C ATOM 1163 O GLU A 77 -4.605 -10.867 -0.520 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.606 -9.991 -1.114 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.996 -10.518 -1.383 1.00 0.00 C ATOM 1166 CD GLU A 77 -9.011 -11.903 -1.934 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -8.848 -12.058 -3.167 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -9.235 -12.852 -1.181 1.00 0.00 O ATOM 0 H GLU A 77 -8.247 -9.637 1.259 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.931 -11.724 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.670 -8.919 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.004 -10.122 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.569 -10.498 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.499 -9.851 -2.083 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.114 -9.108 0.769 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.735 -8.642 0.832 1.00 0.00 C ATOM 1177 C PHE A 78 -2.864 -9.693 1.474 1.00 0.00 C ATOM 1178 O PHE A 78 -1.792 -10.007 0.974 1.00 0.00 O ATOM 1179 CB PHE A 78 -3.620 -7.302 1.590 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.212 -6.824 1.754 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.515 -6.299 0.684 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -1.585 -6.915 2.984 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.217 -5.874 0.838 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.292 -6.490 3.148 1.00 0.00 C ATOM 1185 CZ PHE A 78 0.398 -5.972 2.079 1.00 0.00 C ATOM 0 H PHE A 78 -5.783 -8.539 1.288 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.391 -8.468 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.193 -6.543 1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.074 -7.411 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.993 -6.222 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.121 -7.326 3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.323 -5.465 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.183 -6.562 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.418 -5.641 2.204 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.364 -10.250 2.555 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.675 -11.288 3.296 1.00 0.00 C ATOM 1197 C PHE A 79 -2.358 -12.507 2.456 1.00 0.00 C ATOM 1198 O PHE A 79 -1.222 -13.029 2.479 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.465 -11.660 4.539 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.292 -10.643 5.627 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.092 -10.540 6.307 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -4.301 -9.752 5.931 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.912 -9.572 7.270 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -4.122 -8.777 6.884 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.930 -8.686 7.554 1.00 0.00 C ATOM 0 H PHE A 79 -4.269 -9.994 2.950 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.712 -10.879 3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.522 -11.748 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.141 -12.637 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.288 -11.225 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.246 -9.822 5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.975 -9.507 7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.920 -8.084 7.104 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.788 -7.921 8.303 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.308 -12.953 1.694 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.035 -14.080 0.859 1.00 0.00 C ATOM 1217 C GLU A 80 -2.272 -13.723 -0.411 1.00 0.00 C ATOM 1218 O GLU A 80 -1.517 -14.520 -0.887 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.239 -14.974 0.648 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.479 -14.259 0.228 1.00 0.00 C ATOM 1221 CD GLU A 80 -6.618 -15.203 0.073 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -6.767 -15.799 -1.014 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -7.378 -15.393 1.048 1.00 0.00 O ATOM 0 H GLU A 80 -4.251 -12.569 1.632 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.336 -14.703 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.993 -15.720 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.442 -15.512 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.731 -13.499 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.302 -13.741 -0.715 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.444 -12.513 -0.931 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.664 -12.053 -2.107 1.00 0.00 C ATOM 1232 C ASN A 81 -0.194 -11.998 -1.791 1.00 0.00 C ATOM 1233 O ASN A 81 0.620 -12.561 -2.521 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.102 -10.666 -2.624 1.00 0.00 C ATOM 1235 CG ASN A 81 -3.424 -10.675 -3.369 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -3.826 -11.686 -3.960 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -4.088 -9.543 -3.418 1.00 0.00 N ATOM 0 H ASN A 81 -3.108 -11.827 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.861 -12.786 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.177 -9.982 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.328 -10.274 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.955 -9.483 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.736 -8.724 -2.923 1.00 0.00 H new ATOM 1244 N CYS A 82 0.133 -11.343 -0.686 1.00 0.00 N ATOM 1245 CA CYS A 82 1.512 -11.180 -0.278 1.00 0.00 C ATOM 1246 C CYS A 82 2.185 -12.503 -0.018 1.00 0.00 C ATOM 1247 O CYS A 82 3.200 -12.806 -0.622 1.00 0.00 O ATOM 1248 CB CYS A 82 1.647 -10.228 0.915 1.00 0.00 C ATOM 1249 SG CYS A 82 0.663 -10.656 2.356 1.00 0.00 S ATOM 0 H CYS A 82 -0.546 -10.915 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 82 2.035 -10.718 -1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.695 -10.189 1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.369 -9.225 0.591 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.571 -10.297 2.161 1.00 0.00 H new ATOM 1255 N ARG A 83 1.606 -13.328 0.831 1.00 0.00 N ATOM 1256 CA ARG A 83 2.224 -14.604 1.101 1.00 0.00 C ATOM 1257 C ARG A 83 2.189 -15.615 -0.048 1.00 0.00 C ATOM 1258 O ARG A 83 3.012 -16.540 -0.101 1.00 0.00 O ATOM 1259 CB ARG A 83 1.974 -15.172 2.482 1.00 0.00 C ATOM 1260 CG ARG A 83 2.995 -14.672 3.517 1.00 0.00 C ATOM 1261 CD ARG A 83 2.912 -13.159 3.759 1.00 0.00 C ATOM 1262 NE ARG A 83 3.990 -12.640 4.661 1.00 0.00 N ATOM 1263 CZ ARG A 83 3.927 -12.612 6.002 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.956 -13.247 6.644 1.00 0.00 N ATOM 1265 NH2 ARG A 83 4.858 -11.962 6.702 1.00 0.00 N ATOM 0 H ARG A 83 0.736 -13.144 1.331 1.00 0.00 H new ATOM 0 HA ARG A 83 3.282 -14.344 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.969 -14.901 2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.011 -16.260 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.834 -15.195 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.000 -14.926 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.970 -12.642 2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.940 -12.921 4.192 1.00 0.00 H new ATOM 0 HE ARG A 83 4.838 -12.280 4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.249 -13.762 6.119 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.916 -13.220 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.619 -11.485 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.809 -11.942 7.721 1.00 0.00 H new ATOM 1279 N ASP A 84 1.245 -15.443 -0.956 1.00 0.00 N ATOM 1280 CA ASP A 84 1.177 -16.267 -2.168 1.00 0.00 C ATOM 1281 C ASP A 84 2.380 -15.961 -3.031 1.00 0.00 C ATOM 1282 O ASP A 84 3.167 -16.844 -3.385 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.071 -15.933 -2.981 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.412 -16.953 -4.039 1.00 0.00 C ATOM 1285 OD1 ASP A 84 0.403 -17.833 -4.316 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -1.551 -16.905 -4.579 1.00 0.00 O ATOM 0 H ASP A 84 0.509 -14.740 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 84 1.151 -17.316 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.918 -15.834 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.069 -14.963 -3.459 1.00 0.00 H new ATOM 1291 N THR A 85 2.567 -14.707 -3.332 1.00 0.00 N ATOM 1292 CA THR A 85 3.666 -14.353 -4.167 1.00 0.00 C ATOM 1293 C THR A 85 4.984 -14.526 -3.412 1.00 0.00 C ATOM 1294 O THR A 85 6.026 -14.781 -4.020 1.00 0.00 O ATOM 1295 CB THR A 85 3.503 -12.967 -4.836 1.00 0.00 C ATOM 1296 OG1 THR A 85 4.528 -12.790 -5.813 1.00 0.00 O ATOM 1297 CG2 THR A 85 3.570 -11.833 -3.842 1.00 0.00 C ATOM 0 H THR A 85 1.984 -13.932 -3.017 1.00 0.00 H new ATOM 0 HA THR A 85 3.685 -15.046 -5.008 1.00 0.00 H new ATOM 0 HB THR A 85 2.516 -12.944 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.352 -12.494 -5.373 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.450 -10.884 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.773 -11.946 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.535 -11.849 -3.336 1.00 0.00 H new ATOM 1305 N ALA A 86 4.913 -14.465 -2.063 1.00 0.00 N ATOM 1306 CA ALA A 86 6.034 -14.778 -1.201 1.00 0.00 C ATOM 1307 C ALA A 86 6.588 -16.109 -1.555 1.00 0.00 C ATOM 1308 O ALA A 86 7.770 -16.210 -1.834 1.00 0.00 O ATOM 1309 CB ALA A 86 5.625 -14.767 0.251 1.00 0.00 C ATOM 0 H ALA A 86 4.069 -14.195 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 86 6.797 -14.014 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.487 -15.005 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.249 -13.779 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.843 -15.509 0.414 1.00 0.00 H new ATOM 1315 N LYS A 87 5.723 -17.122 -1.637 1.00 0.00 N ATOM 1316 CA LYS A 87 6.191 -18.458 -1.960 1.00 0.00 C ATOM 1317 C LYS A 87 6.709 -18.523 -3.401 1.00 0.00 C ATOM 1318 O LYS A 87 7.598 -19.316 -3.719 1.00 0.00 O ATOM 1319 CB LYS A 87 5.161 -19.574 -1.662 1.00 0.00 C ATOM 1320 CG LYS A 87 3.848 -19.519 -2.430 1.00 0.00 C ATOM 1321 CD LYS A 87 3.015 -20.764 -2.181 1.00 0.00 C ATOM 1322 CE LYS A 87 1.703 -20.763 -2.971 1.00 0.00 C ATOM 1323 NZ LYS A 87 0.777 -19.709 -2.532 1.00 0.00 N ATOM 0 H LYS A 87 4.717 -17.040 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 87 7.024 -18.659 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.633 -20.535 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.933 -19.550 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.285 -18.635 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.051 -19.421 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.596 -21.646 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.794 -20.842 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.922 -20.630 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.219 -21.734 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.202 -20.049 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.972 -19.467 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.905 -18.865 -3.126 1.00 0.00 H new ATOM 1337 N ARG A 88 6.177 -17.658 -4.270 1.00 0.00 N ATOM 1338 CA ARG A 88 6.697 -17.570 -5.642 1.00 0.00 C ATOM 1339 C ARG A 88 8.127 -17.028 -5.681 1.00 0.00 C ATOM 1340 O ARG A 88 8.981 -17.572 -6.376 1.00 0.00 O ATOM 1341 CB ARG A 88 5.809 -16.748 -6.592 1.00 0.00 C ATOM 1342 CG ARG A 88 4.674 -17.511 -7.229 1.00 0.00 C ATOM 1343 CD ARG A 88 3.611 -17.937 -6.246 1.00 0.00 C ATOM 1344 NE ARG A 88 2.648 -18.799 -6.895 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.463 -18.418 -7.376 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.022 -17.176 -7.183 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.720 -19.279 -8.051 1.00 0.00 N ATOM 0 H ARG A 88 5.407 -17.023 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 88 6.692 -18.599 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.394 -15.906 -6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.435 -16.333 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.217 -16.891 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.074 -18.395 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.070 -18.459 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.109 -17.059 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 88 2.896 -19.783 -6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.591 -16.508 -6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.115 -16.893 -7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.053 -20.231 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.186 -18.991 -8.420 1.00 0.00 H new ATOM 1361 N ASN A 89 8.394 -15.992 -4.926 1.00 0.00 N ATOM 1362 CA ASN A 89 9.735 -15.427 -4.902 1.00 0.00 C ATOM 1363 C ASN A 89 10.699 -16.193 -3.991 1.00 0.00 C ATOM 1364 O ASN A 89 11.916 -16.134 -4.192 1.00 0.00 O ATOM 1365 CB ASN A 89 9.770 -13.879 -4.688 1.00 0.00 C ATOM 1366 CG ASN A 89 9.625 -13.092 -6.020 1.00 0.00 C ATOM 1367 OD1 ASN A 89 10.025 -13.581 -7.065 1.00 0.00 O ATOM 1368 ND2 ASN A 89 9.091 -11.878 -5.989 1.00 0.00 N ATOM 0 H ASN A 89 7.717 -15.523 -4.325 1.00 0.00 H new ATOM 0 HA ASN A 89 10.116 -15.571 -5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.967 -13.591 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.708 -13.603 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.009 -11.335 -6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.763 -11.488 -5.106 1.00 0.00 H new ATOM 1375 N GLN A 90 10.179 -16.930 -2.987 1.00 0.00 N ATOM 1376 CA GLN A 90 11.045 -17.769 -2.128 1.00 0.00 C ATOM 1377 C GLN A 90 11.639 -18.913 -2.933 1.00 0.00 C ATOM 1378 O GLN A 90 12.826 -19.199 -2.821 1.00 0.00 O ATOM 1379 CB GLN A 90 10.322 -18.373 -0.897 1.00 0.00 C ATOM 1380 CG GLN A 90 9.675 -17.395 0.085 1.00 0.00 C ATOM 1381 CD GLN A 90 10.485 -16.138 0.321 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.357 -16.085 1.185 1.00 0.00 O ATOM 1383 NE2 GLN A 90 10.150 -15.100 -0.408 1.00 0.00 N ATOM 0 H GLN A 90 9.187 -16.963 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 90 11.818 -17.095 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.548 -19.050 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.042 -18.978 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.690 -17.116 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.521 -17.901 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.420 -15.188 -1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.620 -14.205 -0.268 1.00 0.00 H new ATOM 1392 N GLN A 91 10.821 -19.542 -3.778 1.00 0.00 N ATOM 1393 CA GLN A 91 11.297 -20.667 -4.608 1.00 0.00 C ATOM 1394 C GLN A 91 12.294 -20.196 -5.684 1.00 0.00 C ATOM 1395 O GLN A 91 13.012 -21.001 -6.282 1.00 0.00 O ATOM 1396 CB GLN A 91 10.133 -21.448 -5.227 1.00 0.00 C ATOM 1397 CG GLN A 91 9.252 -20.631 -6.143 1.00 0.00 C ATOM 1398 CD GLN A 91 8.049 -21.388 -6.632 1.00 0.00 C ATOM 1399 OE1 GLN A 91 8.083 -22.041 -7.668 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.976 -21.306 -5.897 1.00 0.00 N ATOM 0 H GLN A 91 9.839 -19.302 -3.910 1.00 0.00 H new ATOM 0 HA GLN A 91 11.829 -21.350 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.535 -22.292 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.520 -21.860 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.921 -19.736 -5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.838 -20.299 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.986 -20.752 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.126 -21.796 -6.178 1.00 0.00 H new ATOM 1409 N ALA A 92 12.319 -18.895 -5.911 1.00 0.00 N ATOM 1410 CA ALA A 92 13.263 -18.277 -6.831 1.00 0.00 C ATOM 1411 C ALA A 92 14.469 -17.732 -6.056 1.00 0.00 C ATOM 1412 O ALA A 92 15.441 -17.247 -6.641 1.00 0.00 O ATOM 1413 CB ALA A 92 12.575 -17.163 -7.593 1.00 0.00 C ATOM 0 H ALA A 92 11.685 -18.234 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 92 13.617 -19.024 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.283 -16.702 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.736 -17.572 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.210 -16.413 -6.891 1.00 0.00 H new ATOM 1419 N GLY A 93 14.379 -17.821 -4.727 1.00 0.00 N ATOM 1420 CA GLY A 93 15.410 -17.331 -3.825 1.00 0.00 C ATOM 1421 C GLY A 93 15.626 -15.838 -3.945 1.00 0.00 C ATOM 1422 O GLY A 93 16.743 -15.342 -3.804 1.00 0.00 O ATOM 0 H GLY A 93 13.581 -18.239 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.135 -17.573 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.346 -17.848 -4.034 1.00 0.00 H new ATOM 1426 N ASN A 94 14.556 -15.130 -4.191 1.00 0.00 N ATOM 1427 CA ASN A 94 14.630 -13.694 -4.384 1.00 0.00 C ATOM 1428 C ASN A 94 14.672 -12.916 -3.085 1.00 0.00 C ATOM 1429 O ASN A 94 15.075 -11.764 -3.076 1.00 0.00 O ATOM 1430 CB ASN A 94 13.522 -13.182 -5.315 1.00 0.00 C ATOM 1431 CG ASN A 94 13.777 -13.498 -6.781 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.919 -13.569 -7.224 1.00 0.00 O ATOM 1433 ND2 ASN A 94 12.732 -13.680 -7.547 1.00 0.00 N ATOM 0 H ASN A 94 13.616 -15.520 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 94 15.585 -13.511 -4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.572 -13.623 -5.015 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.425 -12.103 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.856 -13.887 -8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.793 -13.615 -7.153 1.00 0.00 H new ATOM 1440 N GLY A 95 14.269 -13.551 -1.988 1.00 0.00 N ATOM 1441 CA GLY A 95 14.279 -12.891 -0.671 1.00 0.00 C ATOM 1442 C GLY A 95 13.340 -11.702 -0.592 1.00 0.00 C ATOM 1443 O GLY A 95 13.507 -10.813 0.240 1.00 0.00 O ATOM 0 H GLY A 95 13.933 -14.514 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.002 -13.616 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.293 -12.561 -0.445 1.00 0.00 H new ATOM 1447 N TRP A 96 12.373 -11.689 -1.453 1.00 0.00 N ATOM 1448 CA TRP A 96 11.385 -10.651 -1.511 1.00 0.00 C ATOM 1449 C TRP A 96 10.076 -11.260 -1.201 1.00 0.00 C ATOM 1450 O TRP A 96 10.022 -12.455 -0.923 1.00 0.00 O ATOM 1451 CB TRP A 96 11.292 -10.011 -2.900 1.00 0.00 C ATOM 1452 CG TRP A 96 12.524 -9.310 -3.348 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.289 -8.483 -2.606 1.00 0.00 C ATOM 1454 CD2 TRP A 96 13.100 -9.323 -4.656 1.00 0.00 C ATOM 1455 NE1 TRP A 96 14.327 -8.019 -3.339 1.00 0.00 N ATOM 1456 CE2 TRP A 96 14.236 -8.511 -4.607 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.778 -9.950 -5.854 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 15.054 -8.307 -5.707 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.588 -9.747 -6.946 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.712 -8.935 -6.868 1.00 0.00 C ATOM 0 H TRP A 96 12.242 -12.417 -2.155 1.00 0.00 H new ATOM 0 HA TRP A 96 11.665 -9.873 -0.801 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.048 -10.786 -3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.465 -9.300 -2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 96 13.100 -8.228 -1.574 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.061 -7.399 -2.997 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.907 -10.585 -5.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.928 -7.675 -5.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.346 -10.228 -7.882 1.00 0.00 H new ATOM 0 HH2 TRP A 96 15.328 -8.798 -7.745 1.00 0.00 H new ATOM 1471 N ASP A 97 9.059 -10.443 -1.146 1.00 0.00 N ATOM 1472 CA ASP A 97 7.653 -10.888 -1.062 1.00 0.00 C ATOM 1473 C ASP A 97 7.212 -11.463 0.296 1.00 0.00 C ATOM 1474 O ASP A 97 6.098 -11.253 0.714 1.00 0.00 O ATOM 1475 CB ASP A 97 7.302 -11.867 -2.202 1.00 0.00 C ATOM 1476 CG ASP A 97 7.342 -11.254 -3.594 1.00 0.00 C ATOM 1477 OD1 ASP A 97 8.233 -10.449 -3.871 1.00 0.00 O ATOM 1478 OD2 ASP A 97 6.544 -11.653 -4.452 1.00 0.00 O ATOM 0 H ASP A 97 9.163 -9.428 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 97 7.082 -9.966 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.995 -12.707 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.305 -12.269 -2.024 1.00 0.00 H new ATOM 1483 N PHE A 98 8.065 -12.203 0.974 1.00 0.00 N ATOM 1484 CA PHE A 98 7.663 -12.785 2.262 1.00 0.00 C ATOM 1485 C PHE A 98 7.726 -11.785 3.415 1.00 0.00 C ATOM 1486 O PHE A 98 6.701 -11.374 3.949 1.00 0.00 O ATOM 1487 CB PHE A 98 8.458 -14.069 2.592 1.00 0.00 C ATOM 1488 CG PHE A 98 8.103 -14.655 3.938 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.784 -14.941 4.249 1.00 0.00 C ATOM 1490 CD2 PHE A 98 9.079 -14.890 4.898 1.00 0.00 C ATOM 1491 CE1 PHE A 98 6.435 -15.452 5.476 1.00 0.00 C ATOM 1492 CE2 PHE A 98 8.740 -15.401 6.137 1.00 0.00 C ATOM 1493 CZ PHE A 98 7.415 -15.684 6.427 1.00 0.00 C ATOM 0 H PHE A 98 9.017 -12.418 0.676 1.00 0.00 H new ATOM 0 HA PHE A 98 6.615 -13.063 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.272 -14.813 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.524 -13.845 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.015 -14.759 3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.113 -14.671 4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.401 -15.672 5.698 1.00 0.00 H new ATOM 0 HE2 PHE A 98 9.506 -15.579 6.877 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.147 -16.085 7.393 1.00 0.00 H new ATOM 1503 N ASP A 99 8.930 -11.425 3.781 1.00 0.00 N ATOM 1504 CA ASP A 99 9.248 -10.509 4.892 1.00 0.00 C ATOM 1505 C ASP A 99 8.962 -9.075 4.462 1.00 0.00 C ATOM 1506 O ASP A 99 8.303 -8.303 5.173 1.00 0.00 O ATOM 1507 CB ASP A 99 10.770 -10.691 5.114 1.00 0.00 C ATOM 1508 CG ASP A 99 11.359 -10.076 6.369 1.00 0.00 C ATOM 1509 OD1 ASP A 99 10.983 -8.970 6.762 1.00 0.00 O ATOM 1510 OD2 ASP A 99 12.279 -10.694 6.950 1.00 0.00 O ATOM 0 H ASP A 99 9.764 -11.767 3.304 1.00 0.00 H new ATOM 0 HA ASP A 99 8.665 -10.712 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.986 -11.759 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.291 -10.271 4.254 1.00 0.00 H new ATOM 1515 N MET A 100 9.438 -8.749 3.266 1.00 0.00 N ATOM 1516 CA MET A 100 9.360 -7.387 2.716 1.00 0.00 C ATOM 1517 C MET A 100 7.946 -7.000 2.353 1.00 0.00 C ATOM 1518 O MET A 100 7.457 -5.934 2.734 1.00 0.00 O ATOM 1519 CB MET A 100 10.298 -7.237 1.506 1.00 0.00 C ATOM 1520 CG MET A 100 11.754 -7.415 1.857 1.00 0.00 C ATOM 1521 SD MET A 100 12.869 -7.246 0.467 1.00 0.00 S ATOM 1522 CE MET A 100 14.443 -7.481 1.293 1.00 0.00 C ATOM 0 H MET A 100 9.891 -9.418 2.643 1.00 0.00 H new ATOM 0 HA MET A 100 9.687 -6.702 3.498 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.022 -7.969 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.155 -6.251 1.064 1.00 0.00 H new ATOM 0 HG2 MET A 100 12.025 -6.682 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.891 -8.401 2.301 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.253 -7.353 0.575 1.00 0.00 H new ATOM 0 HE2 MET A 100 14.547 -6.748 2.093 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.487 -8.485 1.714 1.00 0.00 H new ATOM 1532 N LEU A 101 7.287 -7.860 1.649 1.00 0.00 N ATOM 1533 CA LEU A 101 5.936 -7.610 1.243 1.00 0.00 C ATOM 1534 C LEU A 101 5.015 -8.084 2.344 1.00 0.00 C ATOM 1535 O LEU A 101 4.644 -9.240 2.393 1.00 0.00 O ATOM 1536 CB LEU A 101 5.668 -8.355 -0.041 1.00 0.00 C ATOM 1537 CG LEU A 101 4.242 -8.439 -0.540 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.685 -7.106 -0.957 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.173 -9.438 -1.651 1.00 0.00 C ATOM 0 H LEU A 101 7.665 -8.755 1.338 1.00 0.00 H new ATOM 0 HA LEU A 101 5.767 -6.547 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.267 -7.892 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.037 -9.373 0.083 1.00 0.00 H new ATOM 0 HG LEU A 101 3.612 -8.767 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.660 -7.233 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.698 -6.424 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.293 -6.693 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.148 -9.505 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.829 -9.125 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.492 -10.413 -1.283 1.00 0.00 H new ATOM 1551 N THR A 102 4.836 -7.196 3.287 1.00 0.00 N ATOM 1552 CA THR A 102 3.974 -7.277 4.466 1.00 0.00 C ATOM 1553 C THR A 102 4.536 -6.319 5.474 1.00 0.00 C ATOM 1554 O THR A 102 3.857 -5.401 5.960 1.00 0.00 O ATOM 1555 CB THR A 102 3.940 -8.665 5.184 1.00 0.00 C ATOM 1556 OG1 THR A 102 5.211 -9.332 5.114 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.823 -9.559 4.702 1.00 0.00 C ATOM 0 H THR A 102 5.333 -6.306 3.257 1.00 0.00 H new ATOM 0 HA THR A 102 2.963 -7.069 4.117 1.00 0.00 H new ATOM 0 HB THR A 102 3.729 -8.452 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.212 -9.956 4.359 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.857 -10.506 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.864 -9.073 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.941 -9.745 3.634 1.00 0.00 H new ATOM 1565 N GLY A 103 5.807 -6.536 5.745 1.00 0.00 N ATOM 1566 CA GLY A 103 6.503 -5.803 6.741 1.00 0.00 C ATOM 1567 C GLY A 103 6.473 -6.625 7.979 1.00 0.00 C ATOM 1568 O GLY A 103 5.879 -6.230 8.984 1.00 0.00 O ATOM 0 H GLY A 103 6.376 -7.235 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 103 7.530 -5.608 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.032 -4.835 6.908 1.00 0.00 H new ATOM 1572 N SER A 104 7.106 -7.787 7.917 1.00 0.00 N ATOM 1573 CA SER A 104 7.078 -8.766 8.982 1.00 0.00 C ATOM 1574 C SER A 104 8.199 -9.759 8.809 1.00 0.00 C ATOM 1575 O SER A 104 8.145 -10.631 7.933 1.00 0.00 O ATOM 1576 CB SER A 104 5.719 -9.508 9.077 1.00 0.00 C ATOM 1577 OG SER A 104 4.639 -8.605 9.282 1.00 0.00 O ATOM 0 H SER A 104 7.661 -8.076 7.111 1.00 0.00 H new ATOM 0 HA SER A 104 7.212 -8.221 9.917 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.550 -10.076 8.162 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.753 -10.226 9.896 1.00 0.00 H new ATOM 0 HG SER A 104 4.991 -7.726 9.533 1.00 0.00 H new ATOM 1583 N GLY A 105 9.214 -9.615 9.614 1.00 0.00 N ATOM 1584 CA GLY A 105 10.297 -10.523 9.540 1.00 0.00 C ATOM 1585 C GLY A 105 11.558 -9.959 10.127 1.00 0.00 C ATOM 1586 O GLY A 105 11.511 -9.211 11.100 1.00 0.00 O ATOM 0 H GLY A 105 9.304 -8.882 10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.034 -11.441 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.473 -10.791 8.498 1.00 0.00 H new ATOM 1590 N ASN A 106 12.659 -10.265 9.509 1.00 0.00 N ATOM 1591 CA ASN A 106 13.979 -9.926 10.016 1.00 0.00 C ATOM 1592 C ASN A 106 14.746 -8.928 9.147 1.00 0.00 C ATOM 1593 O ASN A 106 15.390 -8.015 9.667 1.00 0.00 O ATOM 1594 CB ASN A 106 14.850 -11.186 10.184 1.00 0.00 C ATOM 1595 CG ASN A 106 14.482 -12.082 11.362 1.00 0.00 C ATOM 1596 OD1 ASN A 106 13.325 -12.152 11.805 1.00 0.00 O ATOM 1597 ND2 ASN A 106 15.454 -12.795 11.876 1.00 0.00 N ATOM 0 H ASN A 106 12.678 -10.767 8.621 1.00 0.00 H new ATOM 0 HA ASN A 106 13.790 -9.451 10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.789 -11.774 9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.889 -10.877 10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.267 -13.424 12.657 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.397 -12.721 11.495 1.00 0.00 H new ATOM 1604 N TYR A 107 14.677 -9.086 7.841 1.00 0.00 N ATOM 1605 CA TYR A 107 15.585 -8.353 6.954 1.00 0.00 C ATOM 1606 C TYR A 107 14.943 -7.252 6.136 1.00 0.00 C ATOM 1607 O TYR A 107 15.562 -6.739 5.193 1.00 0.00 O ATOM 1608 CB TYR A 107 16.363 -9.327 6.067 1.00 0.00 C ATOM 1609 CG TYR A 107 15.507 -10.366 5.359 1.00 0.00 C ATOM 1610 CD1 TYR A 107 14.825 -10.079 4.181 1.00 0.00 C ATOM 1611 CD2 TYR A 107 15.397 -11.645 5.884 1.00 0.00 C ATOM 1612 CE1 TYR A 107 14.052 -11.043 3.558 1.00 0.00 C ATOM 1613 CE2 TYR A 107 14.634 -12.605 5.271 1.00 0.00 C ATOM 1614 CZ TYR A 107 13.964 -12.308 4.113 1.00 0.00 C ATOM 1615 OH TYR A 107 13.192 -13.279 3.515 1.00 0.00 O ATOM 0 H TYR A 107 14.017 -9.702 7.367 1.00 0.00 H new ATOM 0 HA TYR A 107 16.273 -7.826 7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 107 16.911 -8.756 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 107 17.103 -9.842 6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.900 -9.093 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 107 15.923 -11.890 6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.522 -10.810 2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 107 14.561 -13.593 5.700 1.00 0.00 H new ATOM 0 HH TYR A 107 13.245 -14.107 4.037 1.00 0.00 H new ATOM 1625 N SER A 108 13.755 -6.867 6.470 1.00 0.00 N ATOM 1626 CA SER A 108 13.146 -5.792 5.737 1.00 0.00 C ATOM 1627 C SER A 108 13.210 -4.498 6.511 1.00 0.00 C ATOM 1628 O SER A 108 13.795 -3.507 6.037 1.00 0.00 O ATOM 1629 CB SER A 108 11.716 -6.119 5.393 1.00 0.00 C ATOM 1630 OG SER A 108 11.654 -7.392 4.823 1.00 0.00 O ATOM 0 H SER A 108 13.194 -7.264 7.224 1.00 0.00 H new ATOM 0 HA SER A 108 13.708 -5.666 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.097 -6.080 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.319 -5.378 4.699 1.00 0.00 H new ATOM 0 HG SER A 108 11.140 -7.987 5.407 1.00 0.00 H new ATOM 1636 N SER A 109 12.619 -4.511 7.715 1.00 0.00 N ATOM 1637 CA SER A 109 12.476 -3.327 8.528 1.00 0.00 C ATOM 1638 C SER A 109 11.693 -2.269 7.703 1.00 0.00 C ATOM 1639 O SER A 109 10.998 -2.606 6.722 1.00 0.00 O ATOM 1640 CB SER A 109 13.878 -2.819 8.963 1.00 0.00 C ATOM 1641 OG SER A 109 13.826 -1.669 9.802 1.00 0.00 O ATOM 0 H SER A 109 12.231 -5.353 8.140 1.00 0.00 H new ATOM 0 HA SER A 109 11.918 -3.537 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.400 -3.619 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.464 -2.585 8.074 1.00 0.00 H new ATOM 0 HG SER A 109 14.087 -0.877 9.288 1.00 0.00 H new ATOM 1647 N THR A 110 11.732 -1.038 8.105 1.00 0.00 N ATOM 1648 CA THR A 110 11.150 0.008 7.314 1.00 0.00 C ATOM 1649 C THR A 110 12.151 0.376 6.166 1.00 0.00 C ATOM 1650 O THR A 110 11.765 0.858 5.078 1.00 0.00 O ATOM 1651 CB THR A 110 10.824 1.240 8.204 1.00 0.00 C ATOM 1652 OG1 THR A 110 10.068 0.796 9.357 1.00 0.00 O ATOM 1653 CG2 THR A 110 9.986 2.259 7.440 1.00 0.00 C ATOM 0 H THR A 110 12.161 -0.729 8.977 1.00 0.00 H new ATOM 0 HA THR A 110 10.211 -0.328 6.874 1.00 0.00 H new ATOM 0 HB THR A 110 11.761 1.708 8.506 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.858 1.565 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.772 3.111 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.536 2.598 6.562 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.050 1.798 7.125 1.00 0.00 H new ATOM 1661 N ASP A 111 13.416 0.016 6.402 1.00 0.00 N ATOM 1662 CA ASP A 111 14.557 0.379 5.546 1.00 0.00 C ATOM 1663 C ASP A 111 14.517 -0.261 4.168 1.00 0.00 C ATOM 1664 O ASP A 111 14.495 0.437 3.169 1.00 0.00 O ATOM 1665 CB ASP A 111 15.879 0.016 6.222 1.00 0.00 C ATOM 1666 CG ASP A 111 17.096 0.505 5.456 1.00 0.00 C ATOM 1667 OD1 ASP A 111 17.506 -0.125 4.460 1.00 0.00 O ATOM 1668 OD2 ASP A 111 17.670 1.540 5.859 1.00 0.00 O ATOM 0 H ASP A 111 13.684 -0.547 7.209 1.00 0.00 H new ATOM 0 HA ASP A 111 14.482 1.457 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.895 0.440 7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.938 -1.067 6.332 1.00 0.00 H new ATOM 1673 N ALA A 112 14.445 -1.586 4.093 1.00 0.00 N ATOM 1674 CA ALA A 112 14.559 -2.283 2.800 1.00 0.00 C ATOM 1675 C ALA A 112 13.365 -2.012 1.898 1.00 0.00 C ATOM 1676 O ALA A 112 13.416 -2.249 0.691 1.00 0.00 O ATOM 1677 CB ALA A 112 14.717 -3.778 3.010 1.00 0.00 C ATOM 0 H ALA A 112 14.310 -2.199 4.897 1.00 0.00 H new ATOM 0 HA ALA A 112 15.448 -1.892 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.800 -4.275 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.617 -3.970 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.848 -4.164 3.543 1.00 0.00 H new ATOM 1683 N GLN A 113 12.316 -1.534 2.493 1.00 0.00 N ATOM 1684 CA GLN A 113 11.093 -1.241 1.807 1.00 0.00 C ATOM 1685 C GLN A 113 11.201 0.160 1.213 1.00 0.00 C ATOM 1686 O GLN A 113 10.871 0.378 0.071 1.00 0.00 O ATOM 1687 CB GLN A 113 9.984 -1.307 2.842 1.00 0.00 C ATOM 1688 CG GLN A 113 8.544 -1.437 2.335 1.00 0.00 C ATOM 1689 CD GLN A 113 7.952 -0.193 1.671 1.00 0.00 C ATOM 1690 OE1 GLN A 113 7.125 -0.307 0.812 1.00 0.00 O ATOM 1691 NE2 GLN A 113 8.361 0.996 2.083 1.00 0.00 N ATOM 0 H GLN A 113 12.284 -1.332 3.492 1.00 0.00 H new ATOM 0 HA GLN A 113 10.890 -1.944 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.187 -2.154 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.044 -0.408 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.504 -2.259 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.908 -1.714 3.176 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.067 1.067 2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.971 1.842 1.667 1.00 0.00 H new ATOM 1700 N MET A 114 11.683 1.120 2.010 1.00 0.00 N ATOM 1701 CA MET A 114 11.824 2.501 1.529 1.00 0.00 C ATOM 1702 C MET A 114 12.987 2.589 0.543 1.00 0.00 C ATOM 1703 O MET A 114 13.059 3.480 -0.300 1.00 0.00 O ATOM 1704 CB MET A 114 12.012 3.475 2.706 1.00 0.00 C ATOM 1705 CG MET A 114 11.971 4.940 2.296 1.00 0.00 C ATOM 1706 SD MET A 114 12.198 6.091 3.667 1.00 0.00 S ATOM 1707 CE MET A 114 10.824 5.659 4.730 1.00 0.00 C ATOM 0 H MET A 114 11.978 0.972 2.975 1.00 0.00 H new ATOM 0 HA MET A 114 10.910 2.791 1.011 1.00 0.00 H new ATOM 0 HB2 MET A 114 11.234 3.292 3.447 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.967 3.268 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 114 12.746 5.120 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 114 11.014 5.146 1.816 1.00 0.00 H new ATOM 0 HE1 MET A 114 10.653 6.461 5.448 1.00 0.00 H new ATOM 0 HE2 MET A 114 9.928 5.515 4.126 1.00 0.00 H new ATOM 0 HE3 MET A 114 11.053 4.737 5.264 1.00 0.00 H new ATOM 1717 N GLN A 115 13.871 1.634 0.647 1.00 0.00 N ATOM 1718 CA GLN A 115 14.978 1.470 -0.235 1.00 0.00 C ATOM 1719 C GLN A 115 14.753 0.183 -0.981 1.00 0.00 C ATOM 1720 O GLN A 115 15.629 -0.689 -1.101 1.00 0.00 O ATOM 1721 CB GLN A 115 16.348 1.549 0.486 1.00 0.00 C ATOM 1722 CG GLN A 115 16.785 2.992 0.829 1.00 0.00 C ATOM 1723 CD GLN A 115 15.939 3.703 1.888 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.772 4.925 1.844 1.00 0.00 O ATOM 1725 NE2 GLN A 115 15.448 2.970 2.859 1.00 0.00 N ATOM 0 H GLN A 115 13.832 0.925 1.379 1.00 0.00 H new ATOM 0 HA GLN A 115 15.029 2.298 -0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.300 0.965 1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.108 1.088 -0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.819 2.968 1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 115 16.766 3.586 -0.085 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.604 1.962 2.866 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.910 3.408 3.607 1.00 0.00 H new ATOM 1734 N TYR A 116 13.491 0.068 -1.392 1.00 0.00 N ATOM 1735 CA TYR A 116 12.902 -0.975 -2.180 1.00 0.00 C ATOM 1736 C TYR A 116 13.781 -1.429 -3.341 1.00 0.00 C ATOM 1737 O TYR A 116 14.713 -0.736 -3.780 1.00 0.00 O ATOM 1738 CB TYR A 116 11.594 -0.393 -2.807 1.00 0.00 C ATOM 1739 CG TYR A 116 11.823 0.974 -3.481 1.00 0.00 C ATOM 1740 CD1 TYR A 116 12.409 1.077 -4.745 1.00 0.00 C ATOM 1741 CD2 TYR A 116 11.530 2.148 -2.809 1.00 0.00 C ATOM 1742 CE1 TYR A 116 12.677 2.308 -5.313 1.00 0.00 C ATOM 1743 CE2 TYR A 116 11.809 3.382 -3.362 1.00 0.00 C ATOM 1744 CZ TYR A 116 12.384 3.459 -4.611 1.00 0.00 C ATOM 1745 OH TYR A 116 12.703 4.695 -5.134 1.00 0.00 O ATOM 0 H TYR A 116 12.802 0.780 -1.150 1.00 0.00 H new ATOM 0 HA TYR A 116 12.742 -1.832 -1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 116 11.203 -1.096 -3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.837 -0.290 -2.030 1.00 0.00 H new ATOM 0 HD1 TYR A 116 12.657 0.177 -5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 116 11.074 2.098 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 116 13.113 2.369 -6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 116 11.577 4.285 -2.816 1.00 0.00 H new ATOM 0 HH TYR A 116 11.918 5.073 -5.582 1.00 0.00 H new ATOM 1755 N ASP A 117 13.476 -2.559 -3.822 1.00 0.00 N ATOM 1756 CA ASP A 117 13.996 -3.013 -5.079 1.00 0.00 C ATOM 1757 C ASP A 117 12.900 -2.692 -6.099 1.00 0.00 C ATOM 1758 O ASP A 117 11.730 -2.777 -5.741 1.00 0.00 O ATOM 1759 CB ASP A 117 14.265 -4.517 -5.026 1.00 0.00 C ATOM 1760 CG ASP A 117 14.608 -5.091 -6.373 1.00 0.00 C ATOM 1761 OD1 ASP A 117 15.800 -5.108 -6.755 1.00 0.00 O ATOM 1762 OD2 ASP A 117 13.691 -5.517 -7.074 1.00 0.00 O ATOM 0 H ASP A 117 12.850 -3.221 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 117 14.941 -2.534 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.084 -4.712 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.386 -5.026 -4.632 1.00 0.00 H new ATOM 1767 N PRO A 118 13.215 -2.262 -7.339 1.00 0.00 N ATOM 1768 CA PRO A 118 12.181 -1.951 -8.350 1.00 0.00 C ATOM 1769 C PRO A 118 11.208 -3.121 -8.651 1.00 0.00 C ATOM 1770 O PRO A 118 10.067 -2.889 -9.073 1.00 0.00 O ATOM 1771 CB PRO A 118 12.972 -1.552 -9.598 1.00 0.00 C ATOM 1772 CG PRO A 118 14.366 -2.004 -9.345 1.00 0.00 C ATOM 1773 CD PRO A 118 14.564 -1.978 -7.855 1.00 0.00 C ATOM 0 HA PRO A 118 11.522 -1.163 -7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.562 -2.025 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.932 -0.475 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.525 -3.008 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 118 15.082 -1.349 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.287 -2.727 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.932 -1.011 -7.513 1.00 0.00 H new ATOM 1781 N GLY A 119 11.609 -4.345 -8.337 1.00 0.00 N ATOM 1782 CA GLY A 119 10.767 -5.485 -8.579 1.00 0.00 C ATOM 1783 C GLY A 119 9.865 -5.649 -7.390 1.00 0.00 C ATOM 1784 O GLY A 119 8.653 -5.788 -7.526 1.00 0.00 O ATOM 0 H GLY A 119 12.512 -4.563 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.181 -5.341 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.370 -6.381 -8.728 1.00 0.00 H new ATOM 1788 N LEU A 120 10.481 -5.646 -6.201 1.00 0.00 N ATOM 1789 CA LEU A 120 9.754 -5.602 -4.918 1.00 0.00 C ATOM 1790 C LEU A 120 8.707 -4.492 -4.949 1.00 0.00 C ATOM 1791 O LEU A 120 7.566 -4.729 -4.631 1.00 0.00 O ATOM 1792 CB LEU A 120 10.735 -5.323 -3.768 1.00 0.00 C ATOM 1793 CG LEU A 120 10.116 -5.150 -2.373 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.483 -6.453 -1.904 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.163 -4.644 -1.377 1.00 0.00 C ATOM 0 H LEU A 120 11.495 -5.674 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 120 9.267 -6.565 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.453 -6.142 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.296 -4.420 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 120 9.327 -4.400 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.050 -6.311 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.701 -6.750 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.244 -7.232 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.705 -4.528 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.981 -5.361 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.550 -3.682 -1.713 1.00 0.00 H new ATOM 1807 N PHE A 121 9.116 -3.272 -5.334 1.00 0.00 N ATOM 1808 CA PHE A 121 8.184 -2.140 -5.447 1.00 0.00 C ATOM 1809 C PHE A 121 7.006 -2.458 -6.372 1.00 0.00 C ATOM 1810 O PHE A 121 5.853 -2.167 -6.045 1.00 0.00 O ATOM 1811 CB PHE A 121 8.890 -0.850 -5.910 1.00 0.00 C ATOM 1812 CG PHE A 121 7.927 0.289 -6.166 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.179 0.826 -5.129 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.754 0.806 -7.449 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.280 1.847 -5.361 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.858 1.834 -7.678 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.119 2.351 -6.636 1.00 0.00 C ATOM 0 H PHE A 121 10.082 -3.046 -5.571 1.00 0.00 H new ATOM 0 HA PHE A 121 7.793 -1.969 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.612 -0.545 -5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.452 -1.056 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.302 0.440 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 121 8.325 0.400 -8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.702 2.252 -4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.737 2.232 -8.675 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.415 3.150 -6.817 1.00 0.00 H new ATOM 1827 N ALA A 122 7.296 -3.068 -7.498 1.00 0.00 N ATOM 1828 CA ALA A 122 6.274 -3.438 -8.434 1.00 0.00 C ATOM 1829 C ALA A 122 5.324 -4.481 -7.831 1.00 0.00 C ATOM 1830 O ALA A 122 4.098 -4.409 -8.038 1.00 0.00 O ATOM 1831 CB ALA A 122 6.896 -3.943 -9.722 1.00 0.00 C ATOM 0 H ALA A 122 8.242 -3.318 -7.785 1.00 0.00 H new ATOM 0 HA ALA A 122 5.683 -2.552 -8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.108 -4.220 -10.422 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.512 -3.158 -10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.515 -4.814 -9.510 1.00 0.00 H new ATOM 1837 N GLN A 123 5.876 -5.427 -7.060 1.00 0.00 N ATOM 1838 CA GLN A 123 5.090 -6.473 -6.455 1.00 0.00 C ATOM 1839 C GLN A 123 4.220 -5.915 -5.330 1.00 0.00 C ATOM 1840 O GLN A 123 3.023 -6.191 -5.270 1.00 0.00 O ATOM 1841 CB GLN A 123 5.998 -7.565 -5.890 1.00 0.00 C ATOM 1842 CG GLN A 123 5.233 -8.780 -5.436 1.00 0.00 C ATOM 1843 CD GLN A 123 4.682 -9.542 -6.613 1.00 0.00 C ATOM 1844 OE1 GLN A 123 3.559 -9.302 -7.079 1.00 0.00 O ATOM 1845 NE2 GLN A 123 5.447 -10.454 -7.096 1.00 0.00 N ATOM 0 H GLN A 123 6.873 -5.476 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 123 4.448 -6.897 -7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.722 -7.859 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.564 -7.162 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.886 -9.428 -4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.417 -8.476 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.365 -10.621 -6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.137 -11.011 -7.892 1.00 0.00 H new ATOM 1854 N ILE A 124 4.833 -5.121 -4.449 1.00 0.00 N ATOM 1855 CA ILE A 124 4.129 -4.538 -3.314 1.00 0.00 C ATOM 1856 C ILE A 124 2.957 -3.674 -3.763 1.00 0.00 C ATOM 1857 O ILE A 124 1.880 -3.765 -3.188 1.00 0.00 O ATOM 1858 CB ILE A 124 5.060 -3.778 -2.298 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.751 -2.608 -2.953 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.104 -4.725 -1.722 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.524 -1.723 -2.011 1.00 0.00 C ATOM 0 H ILE A 124 5.820 -4.869 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 124 3.731 -5.385 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 124 4.428 -3.401 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.432 -2.987 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.003 -2.003 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.739 -4.183 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.606 -5.543 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.715 -5.127 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.986 -0.910 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.848 -1.309 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.299 -2.308 -1.516 1.00 0.00 H new ATOM 1873 N GLN A 125 3.152 -2.897 -4.826 1.00 0.00 N ATOM 1874 CA GLN A 125 2.076 -2.101 -5.374 1.00 0.00 C ATOM 1875 C GLN A 125 0.960 -3.005 -5.903 1.00 0.00 C ATOM 1876 O GLN A 125 -0.223 -2.800 -5.579 1.00 0.00 O ATOM 1877 CB GLN A 125 2.565 -1.239 -6.518 1.00 0.00 C ATOM 1878 CG GLN A 125 1.468 -0.351 -7.068 1.00 0.00 C ATOM 1879 CD GLN A 125 1.847 0.358 -8.330 1.00 0.00 C ATOM 1880 OE1 GLN A 125 2.650 -0.126 -9.127 1.00 0.00 O ATOM 1881 NE2 GLN A 125 1.260 1.483 -8.532 1.00 0.00 N ATOM 0 H GLN A 125 4.042 -2.807 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 125 1.701 -1.466 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.395 -0.621 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.949 -1.877 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.581 -0.957 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.197 0.388 -6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 125 0.601 1.845 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.453 2.014 -9.382 1.00 0.00 H new ATOM 1890 N ALA A 126 1.358 -4.001 -6.704 1.00 0.00 N ATOM 1891 CA ALA A 126 0.433 -4.916 -7.349 1.00 0.00 C ATOM 1892 C ALA A 126 -0.427 -5.626 -6.336 1.00 0.00 C ATOM 1893 O ALA A 126 -1.650 -5.551 -6.402 1.00 0.00 O ATOM 1894 CB ALA A 126 1.185 -5.934 -8.200 1.00 0.00 C ATOM 0 H ALA A 126 2.337 -4.188 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.216 -4.326 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.473 -6.609 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.758 -5.414 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.863 -6.507 -7.567 1.00 0.00 H new ATOM 1900 N ALA A 127 0.220 -6.253 -5.362 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.469 -7.028 -4.356 1.00 0.00 C ATOM 1902 C ALA A 127 -1.404 -6.161 -3.538 1.00 0.00 C ATOM 1903 O ALA A 127 -2.536 -6.583 -3.215 1.00 0.00 O ATOM 1904 CB ALA A 127 0.517 -7.755 -3.454 1.00 0.00 C ATOM 0 H ALA A 127 1.234 -6.235 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.071 -7.775 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.029 -8.330 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.130 -8.428 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.158 -7.028 -2.955 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.958 -4.936 -3.236 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.743 -4.030 -2.457 1.00 0.00 C ATOM 1912 C ALA A 128 -3.025 -3.694 -3.158 1.00 0.00 C ATOM 1913 O ALA A 128 -4.021 -4.076 -2.705 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.979 -2.768 -2.140 1.00 0.00 C ATOM 0 H ALA A 128 -0.053 -4.568 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.978 -4.530 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.606 -2.102 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.081 -3.019 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.698 -2.270 -3.068 1.00 0.00 H new ATOM 1920 N THR A 129 -2.981 -3.077 -4.295 1.00 0.00 N ATOM 1921 CA THR A 129 -4.259 -2.667 -4.926 1.00 0.00 C ATOM 1922 C THR A 129 -5.176 -3.873 -5.319 1.00 0.00 C ATOM 1923 O THR A 129 -6.452 -3.778 -5.245 1.00 0.00 O ATOM 1924 CB THR A 129 -4.063 -1.653 -6.097 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.318 -1.362 -6.741 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.056 -2.143 -7.123 1.00 0.00 C ATOM 0 H THR A 129 -2.133 -2.840 -4.810 1.00 0.00 H new ATOM 0 HA THR A 129 -4.801 -2.130 -4.148 1.00 0.00 H new ATOM 0 HB THR A 129 -3.667 -0.739 -5.655 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.220 -1.465 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.955 -1.403 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.090 -2.293 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.399 -3.086 -7.548 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.529 -5.037 -5.570 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.187 -6.283 -6.011 1.00 0.00 C ATOM 1936 C LYS A 130 -6.077 -6.755 -4.906 1.00 0.00 C ATOM 1937 O LYS A 130 -7.082 -7.420 -5.104 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.104 -7.329 -6.286 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.582 -8.659 -6.817 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.391 -9.574 -7.079 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.794 -10.911 -7.684 1.00 0.00 C ATOM 1942 NZ LYS A 130 -4.654 -11.717 -6.782 1.00 0.00 N ATOM 0 H LYS A 130 -3.519 -5.134 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.775 -6.120 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.396 -6.909 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.556 -7.506 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.258 -9.125 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.147 -8.511 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.694 -9.072 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.861 -9.749 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -4.323 -10.736 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -2.896 -11.480 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.648 -12.710 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -4.290 -11.656 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -5.627 -11.351 -6.811 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.644 -6.449 -3.754 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.339 -6.644 -2.556 1.00 0.00 C ATOM 1958 C ALA A 131 -7.275 -5.457 -2.346 1.00 0.00 C ATOM 1959 O ALA A 131 -8.497 -5.610 -2.412 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.270 -6.722 -1.513 1.00 0.00 C ATOM 0 H ALA A 131 -4.727 -6.025 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.959 -7.540 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.726 -6.875 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.603 -7.555 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.700 -5.793 -1.506 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.680 -4.268 -2.266 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.312 -3.011 -1.859 1.00 0.00 C ATOM 1968 C TRP A 132 -8.329 -2.437 -2.854 1.00 0.00 C ATOM 1969 O TRP A 132 -8.566 -1.246 -2.889 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.308 -1.912 -1.517 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.388 -2.231 -0.407 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.899 -3.428 -0.128 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.853 -1.355 0.569 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.010 -3.381 0.825 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.964 -2.120 1.317 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -4.998 0.000 0.880 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.219 -1.591 2.329 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.271 0.500 1.890 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.392 -0.287 2.592 1.00 0.00 C ATOM 0 H TRP A 132 -5.693 -4.148 -2.495 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.855 -3.311 -0.963 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.718 -1.690 -2.406 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.857 -1.005 -1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.200 -4.336 -0.630 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.443 -4.165 1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.677 0.627 0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.522 -2.194 2.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.379 1.541 2.156 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.817 0.162 3.388 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.891 -3.235 -3.655 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.992 -2.763 -4.483 1.00 0.00 C ATOM 1992 C ARG A 133 -11.358 -3.425 -4.228 1.00 0.00 C ATOM 1993 O ARG A 133 -12.415 -2.779 -4.285 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.601 -2.756 -5.970 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.756 -2.560 -6.958 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.532 -3.833 -7.232 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.949 -3.559 -7.560 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.497 -3.701 -8.789 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -12.734 -3.838 -9.859 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -14.802 -3.695 -8.935 1.00 0.00 N ATOM 0 H ARG A 133 -8.637 -4.215 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.161 -1.735 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -8.870 -1.963 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.105 -3.699 -6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.437 -1.805 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.360 -2.175 -7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.066 -4.371 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.481 -4.484 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.556 -3.240 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -11.718 -3.838 -9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.161 -3.944 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.406 -3.583 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.212 -3.802 -9.863 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.271 -4.641 -3.932 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.294 -5.672 -4.103 1.00 0.00 C ATOM 2016 C LYS A 134 -13.638 -5.577 -3.320 1.00 0.00 C ATOM 2017 O LYS A 134 -14.196 -6.593 -2.958 1.00 0.00 O ATOM 2018 CB LYS A 134 -11.585 -6.886 -3.741 1.00 0.00 C ATOM 2019 CG LYS A 134 -12.019 -8.109 -4.434 1.00 0.00 C ATOM 2020 CD LYS A 134 -11.064 -9.173 -4.063 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.649 -8.733 -4.393 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.785 -9.853 -4.755 1.00 0.00 N ATOM 0 H LYS A 134 -10.418 -5.021 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.675 -5.590 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -10.523 -6.737 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -11.692 -7.041 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -13.033 -8.380 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.029 -7.958 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -11.147 -9.394 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -11.303 -10.092 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.677 -8.019 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.224 -8.213 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -7.798 -9.528 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -8.867 -10.601 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.073 -10.229 -5.681 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.194 -4.431 -3.161 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.442 -4.328 -2.435 1.00 0.00 C ATOM 2038 C LEU A 135 -16.562 -4.379 -3.421 1.00 0.00 C ATOM 2039 O LEU A 135 -16.627 -3.516 -4.257 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.487 -3.020 -1.652 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.862 -3.003 -0.253 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.604 -3.812 -0.196 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.541 -1.584 0.093 1.00 0.00 C ATOM 0 H LEU A 135 -13.822 -3.549 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.532 -5.151 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -14.992 -2.255 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.531 -2.723 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.571 -3.438 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.192 -3.774 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.824 -4.846 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.878 -3.405 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.094 -1.544 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -13.839 -1.181 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.456 -0.991 0.083 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.413 -5.425 -3.387 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.549 -5.556 -4.302 1.00 0.00 C ATOM 2057 C PRO A 136 -19.684 -4.590 -3.956 1.00 0.00 C ATOM 2058 O PRO A 136 -20.271 -3.943 -4.843 1.00 0.00 O ATOM 2059 CB PRO A 136 -19.030 -7.013 -4.097 1.00 0.00 C ATOM 2060 CG PRO A 136 -17.962 -7.674 -3.301 1.00 0.00 C ATOM 2061 CD PRO A 136 -17.319 -6.587 -2.496 1.00 0.00 C ATOM 0 HA PRO A 136 -18.260 -5.326 -5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -19.985 -7.041 -3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -19.176 -7.516 -5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -18.378 -8.446 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -17.235 -8.161 -3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -17.841 -6.418 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -16.284 -6.825 -2.249 1.00 0.00 H new ATOM 2069 N VAL A 137 -19.995 -4.471 -2.677 1.00 0.00 N ATOM 2070 CA VAL A 137 -21.117 -3.645 -2.248 1.00 0.00 C ATOM 2071 C VAL A 137 -20.718 -2.653 -1.154 1.00 0.00 C ATOM 2072 O VAL A 137 -19.767 -2.878 -0.407 1.00 0.00 O ATOM 2073 CB VAL A 137 -22.336 -4.497 -1.756 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -22.911 -5.348 -2.882 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -21.963 -5.380 -0.581 1.00 0.00 C ATOM 0 H VAL A 137 -19.491 -4.932 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 137 -21.421 -3.088 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 137 -23.100 -3.792 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -23.755 -5.926 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -23.247 -4.701 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -22.143 -6.026 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -22.834 -5.956 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.165 -6.061 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -21.622 -4.759 0.247 1.00 0.00 H new ATOM 2085 N LYS A 138 -21.428 -1.553 -1.086 1.00 0.00 N ATOM 2086 CA LYS A 138 -21.221 -0.529 -0.044 1.00 0.00 C ATOM 2087 C LYS A 138 -22.491 -0.571 0.799 1.00 0.00 C ATOM 2088 O LYS A 138 -22.909 0.392 1.422 1.00 0.00 O ATOM 2089 CB LYS A 138 -21.132 0.847 -0.714 1.00 0.00 C ATOM 2090 CG LYS A 138 -20.101 1.852 -0.139 1.00 0.00 C ATOM 2091 CD LYS A 138 -20.235 2.166 1.361 1.00 0.00 C ATOM 2092 CE LYS A 138 -19.621 1.103 2.270 1.00 0.00 C ATOM 2093 NZ LYS A 138 -19.676 1.483 3.691 1.00 0.00 N ATOM 0 H LYS A 138 -22.172 -1.325 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 138 -20.317 -0.703 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -20.903 0.695 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -22.118 1.310 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -19.100 1.460 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -20.184 2.786 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -19.759 3.125 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.291 2.275 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -20.147 0.159 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -18.583 0.936 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -18.826 1.133 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -19.719 2.519 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -20.522 1.066 4.129 1.00 0.00 H new ATOM 2107 N GLY A 139 -23.052 -1.736 0.817 1.00 0.00 N ATOM 2108 CA GLY A 139 -24.371 -1.971 1.301 1.00 0.00 C ATOM 2109 C GLY A 139 -25.100 -2.527 0.119 1.00 0.00 C ATOM 2110 O GLY A 139 -25.802 -3.530 0.190 1.00 0.00 O ATOM 0 H GLY A 139 -22.587 -2.580 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -24.370 -2.673 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -24.834 -1.051 1.658 1.00 0.00 H new ATOM 2114 N ASP A 140 -24.880 -1.844 -0.965 1.00 0.00 N ATOM 2115 CA ASP A 140 -25.224 -2.242 -2.302 1.00 0.00 C ATOM 2116 C ASP A 140 -24.421 -1.351 -3.210 1.00 0.00 C ATOM 2117 O ASP A 140 -24.926 -0.293 -3.617 1.00 0.00 O ATOM 2118 CB ASP A 140 -26.721 -2.125 -2.628 1.00 0.00 C ATOM 2119 CG ASP A 140 -26.996 -2.616 -4.038 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -26.864 -3.828 -4.282 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -27.313 -1.801 -4.942 1.00 0.00 O ATOM 2122 OXT ASP A 140 -23.230 -1.615 -3.388 1.00 0.00 O ATOM 0 H ASP A 140 -24.425 -0.932 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 140 -24.999 -3.301 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -27.302 -2.708 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -27.041 -1.088 -2.528 1.00 0.00 H new TER 2127 ASP A 140