USER MOD reduce.3.24.130724 H: found=0, std=0, add=1328, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1330 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 39 ASN : amide:sc= -1.5 K(o=-2.3,f=-3.7!) USER MOD Set 1.2: A 165 ASN : amide:sc= -0.843 X(o=-2.3,f=-2.7) USER MOD Set 2.1: A 54 THR OG1 : rot 158:sc= 0.548 USER MOD Set 2.2: A 138 TYR OH : rot -174:sc= 0.497 USER MOD Set 3.1: A 130 LYS NZ :NH3+ -142:sc= 0.4 (180deg=-0.167) USER MOD Set 3.2: A 132 TYR OH : rot 165:sc= 0.417 USER MOD Set 4.1: A 105 SER OG : rot 11:sc= 0.946 USER MOD Set 4.2: A 126 THR OG1 : rot -140:sc= 0.856 USER MOD Set 5.1: A 125 LYS NZ :NH3+ -174:sc= 1.23 (180deg=-0.0201) USER MOD Set 5.2: A 127 SER OG : rot -13:sc= 1.24 USER MOD Set 6.1: A 86 SER OG : rot -66:sc= -0.0145 USER MOD Set 6.2: A 91 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -6.5! C(o=-7.9!,f=-6.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0982 USER MOD Single : A 28 GLN : amide:sc= 0.0135 K(o=0.013,f=-4.5!) USER MOD Single : A 42 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.029) USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= -0.0967 (180deg=-0.857) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 51:sc= 0.309 USER MOD Single : A 50 THR OG1 : rot 22:sc= 1.05 USER MOD Single : A 51 MET CE :methyl -167:sc= -2.43 (180deg=-2.95) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 53 SER OG : rot -81:sc= 0.281 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0965 USER MOD Single : A 59 GLN :FLIP amide:sc=-0.00394 F(o=-1.3!,f=-0.0039) USER MOD Single : A 62 ASN : amide:sc= -0.693 K(o=-0.69,f=-4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 65 ASN : amide:sc=-0.00849 K(o=-0.0085,f=-0.96) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 80:sc= 0.563 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -27:sc= 0.0899 USER MOD Single : A 93 THR OG1 : rot 80:sc= -1.45! USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.9) USER MOD Single : A 104 GLN : amide:sc= -1.34! C(o=-1.3!,f=-2.3!) USER MOD Single : A 106 TYR OH : rot 36:sc= -0.376 USER MOD Single : A 109 GLN : amide:sc= -6.91! C(o=-6.9!,f=-12!) USER MOD Single : A 113 THR OG1 : rot 169:sc= 0.999 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.21) USER MOD Single : A 120 MET CE :methyl -147:sc= -0.598 (180deg=-3.74) USER MOD Single : A 124 GLN :FLIP amide:sc= -0.363 F(o=-2.8!,f=-0.36) USER MOD Single : A 129 ASN :FLIP amide:sc= -0.0721 F(o=-1.1,f=-0.072) USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 134 LYS NZ :NH3+ -117:sc= 0.358 (180deg=-0.876) USER MOD Single : A 136 THR OG1 : rot 145:sc= 0.322 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.441 USER MOD Single : A 142 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0186) USER MOD Single : A 145 SER OG : rot 180:sc= 0.103 USER MOD Single : A 149 LYS NZ :NH3+ -154:sc= 1.15 (180deg=1.09) USER MOD Single : A 154 SER OG : rot 75:sc= 1.19 USER MOD Single : A 157 LYS NZ :NH3+ -150:sc= -2.19! (180deg=-4.16!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 160:sc= -3.43! (180deg=-3.87!) USER MOD Single : A 164 ASN :FLIP amide:sc= -0.0129 F(o=-0.83,f=-0.013) USER MOD Single : A 169 SER OG : rot -79:sc= 1.09 USER MOD Single : A 172 THR OG1 : rot 160:sc= 0 USER MOD Single : A 174 GLN :FLIP amide:sc= -1.99! C(o=-4.9!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 -17.095 7.579 -0.948 1.00 0.58 N ATOM 89 CA LEU A 7 -15.890 7.245 -0.209 1.00 0.51 C ATOM 90 C LEU A 7 -16.264 6.827 1.206 1.00 0.45 C ATOM 91 O LEU A 7 -17.140 7.424 1.837 1.00 0.49 O ATOM 92 CB LEU A 7 -14.903 8.437 -0.187 1.00 0.52 C ATOM 93 CG LEU A 7 -15.497 9.782 0.255 1.00 0.80 C ATOM 94 CD1 LEU A 7 -15.436 9.927 1.766 1.00 1.73 C ATOM 95 CD2 LEU A 7 -14.776 10.934 -0.426 1.00 1.08 C ATOM 0 HA LEU A 7 -15.389 6.415 -0.707 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -14.076 8.189 0.479 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.483 8.556 -1.186 1.00 0.52 H new ATOM 0 HG LEU A 7 -16.544 9.808 -0.046 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -15.862 10.887 2.057 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -16.004 9.122 2.232 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -14.398 9.876 2.095 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -15.211 11.879 -0.100 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -13.719 10.910 -0.160 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -14.880 10.840 -1.507 1.00 1.08 H new ATOM 107 N ILE A 8 -15.633 5.771 1.670 1.00 0.43 N ATOM 108 CA ILE A 8 -15.715 5.373 3.056 1.00 0.40 C ATOM 109 C ILE A 8 -14.952 6.394 3.868 1.00 0.40 C ATOM 110 O ILE A 8 -14.192 7.167 3.301 1.00 0.62 O ATOM 111 CB ILE A 8 -15.144 3.928 3.225 1.00 0.41 C ATOM 112 CG1 ILE A 8 -16.279 2.909 3.161 1.00 0.48 C ATOM 113 CG2 ILE A 8 -14.304 3.724 4.496 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.794 1.481 3.068 1.00 0.47 C ATOM 0 H ILE A 8 -15.048 5.164 1.095 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.747 5.343 3.406 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.454 3.775 2.395 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -16.905 3.016 4.047 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.908 3.129 2.298 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -13.947 2.695 4.535 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -13.452 4.403 4.482 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -14.917 3.929 5.374 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.650 0.808 3.026 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -15.192 1.359 2.168 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.189 1.244 3.943 1.00 0.47 H new ATOM 126 N PRO A 9 -15.253 6.475 5.163 1.00 0.31 N ATOM 127 CA PRO A 9 -14.482 7.202 6.168 1.00 0.28 C ATOM 128 C PRO A 9 -12.996 7.394 5.816 1.00 0.32 C ATOM 129 O PRO A 9 -12.138 6.681 6.335 1.00 0.38 O ATOM 130 CB PRO A 9 -14.624 6.225 7.325 1.00 0.31 C ATOM 131 CG PRO A 9 -16.027 5.718 7.221 1.00 0.35 C ATOM 132 CD PRO A 9 -16.427 5.847 5.776 1.00 0.35 C ATOM 0 HA PRO A 9 -14.828 8.224 6.325 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.902 5.412 7.248 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.450 6.716 8.282 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -16.089 4.680 7.549 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.695 6.295 7.861 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.645 4.877 5.330 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.320 6.460 5.658 1.00 0.35 H new ATOM 140 N ALA A 10 -12.711 8.362 4.940 1.00 0.36 N ATOM 141 CA ALA A 10 -11.366 8.619 4.440 1.00 0.44 C ATOM 142 C ALA A 10 -10.581 9.500 5.413 1.00 0.42 C ATOM 143 O ALA A 10 -10.820 10.706 5.501 1.00 0.53 O ATOM 144 CB ALA A 10 -11.433 9.288 3.061 1.00 0.62 C ATOM 0 H ALA A 10 -13.416 8.992 4.558 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.848 7.664 4.348 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.422 9.475 2.698 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -11.954 8.632 2.363 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -11.971 10.233 3.141 1.00 0.62 H new ATOM 150 N PRO A 11 -9.641 8.906 6.160 1.00 0.35 N ATOM 151 CA PRO A 11 -8.800 9.615 7.113 1.00 0.35 C ATOM 152 C PRO A 11 -7.561 10.192 6.441 1.00 0.39 C ATOM 153 O PRO A 11 -6.977 9.568 5.554 1.00 0.45 O ATOM 154 CB PRO A 11 -8.404 8.519 8.123 1.00 0.35 C ATOM 155 CG PRO A 11 -8.972 7.240 7.588 1.00 0.41 C ATOM 156 CD PRO A 11 -9.316 7.488 6.151 1.00 0.38 C ATOM 0 HA PRO A 11 -9.310 10.463 7.570 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.321 8.453 8.223 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.802 8.739 9.113 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -8.250 6.428 7.678 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.857 6.944 8.152 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.481 7.265 5.487 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.157 6.878 5.821 1.00 0.38 H new ATOM 164 N PRO A 12 -7.161 11.407 6.838 1.00 0.42 N ATOM 165 CA PRO A 12 -5.970 12.062 6.299 1.00 0.46 C ATOM 166 C PRO A 12 -4.683 11.337 6.665 1.00 0.44 C ATOM 167 O PRO A 12 -4.669 10.504 7.575 1.00 0.41 O ATOM 168 CB PRO A 12 -5.986 13.455 6.935 1.00 0.50 C ATOM 169 CG PRO A 12 -6.844 13.315 8.147 1.00 0.55 C ATOM 170 CD PRO A 12 -7.853 12.249 7.827 1.00 0.48 C ATOM 0 HA PRO A 12 -5.992 12.078 5.209 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -4.980 13.780 7.199 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -6.391 14.198 6.248 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -6.247 13.038 9.016 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -7.336 14.258 8.386 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -8.131 11.680 8.714 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.771 12.674 7.420 1.00 0.48 H new ATOM 178 N LEU A 13 -3.614 11.668 5.955 1.00 0.50 N ATOM 179 CA LEU A 13 -2.276 11.147 6.233 1.00 0.51 C ATOM 180 C LEU A 13 -1.994 11.249 7.720 1.00 0.49 C ATOM 181 O LEU A 13 -1.507 10.325 8.352 1.00 0.48 O ATOM 182 CB LEU A 13 -1.261 12.002 5.458 1.00 0.61 C ATOM 183 CG LEU A 13 0.192 11.490 5.372 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.842 11.421 6.743 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.255 10.134 4.681 1.00 0.74 C ATOM 0 H LEU A 13 -3.647 12.310 5.163 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.203 10.103 5.928 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.634 12.125 4.441 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.241 12.993 5.912 1.00 0.61 H new ATOM 0 HG LEU A 13 0.753 12.207 4.773 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.864 11.056 6.643 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.853 12.415 7.191 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.275 10.742 7.381 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.291 9.797 4.634 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.337 9.411 5.243 1.00 0.74 H new ATOM 0 HD23 LEU A 13 -0.144 10.222 3.670 1.00 0.74 H new ATOM 197 N ILE A 14 -2.360 12.379 8.264 1.00 0.52 N ATOM 198 CA ILE A 14 -2.025 12.745 9.623 1.00 0.56 C ATOM 199 C ILE A 14 -2.629 11.779 10.654 1.00 0.54 C ATOM 200 O ILE A 14 -2.298 11.834 11.840 1.00 0.61 O ATOM 201 CB ILE A 14 -2.516 14.180 9.862 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.029 14.196 10.109 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.171 15.024 8.636 1.00 0.65 C ATOM 204 CD1 ILE A 14 -4.669 15.553 9.914 1.00 1.05 C ATOM 0 H ILE A 14 -2.908 13.085 7.772 1.00 0.52 H new ATOM 0 HA ILE A 14 -0.944 12.684 9.752 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.027 14.592 10.745 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.504 13.481 9.437 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.225 13.856 11.126 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.514 16.047 8.790 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.092 15.022 8.485 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.661 14.606 7.757 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -5.739 15.482 10.107 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.223 16.268 10.605 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.507 15.888 8.890 1.00 1.05 H new ATOM 216 N SER A 15 -3.497 10.885 10.187 1.00 0.46 N ATOM 217 CA SER A 15 -4.135 9.904 11.050 1.00 0.46 C ATOM 218 C SER A 15 -3.287 8.634 11.145 1.00 0.46 C ATOM 219 O SER A 15 -3.487 7.817 12.044 1.00 0.51 O ATOM 220 CB SER A 15 -5.530 9.560 10.512 1.00 0.42 C ATOM 221 OG SER A 15 -6.313 8.896 11.490 1.00 0.92 O ATOM 0 H SER A 15 -3.774 10.823 9.207 1.00 0.46 H new ATOM 0 HA SER A 15 -4.230 10.333 12.047 1.00 0.46 H new ATOM 0 HB2 SER A 15 -6.036 10.473 10.198 1.00 0.42 H new ATOM 0 HB3 SER A 15 -5.435 8.928 9.629 1.00 0.42 H new ATOM 0 HG SER A 15 -7.196 8.691 11.118 1.00 0.92 H new ATOM 227 N VAL A 16 -2.341 8.475 10.222 1.00 0.43 N ATOM 228 CA VAL A 16 -1.512 7.276 10.182 1.00 0.43 C ATOM 229 C VAL A 16 -0.149 7.530 10.831 1.00 0.45 C ATOM 230 O VAL A 16 0.483 8.564 10.603 1.00 0.50 O ATOM 231 CB VAL A 16 -1.335 6.739 8.731 1.00 0.45 C ATOM 232 CG1 VAL A 16 -0.575 7.712 7.837 1.00 0.54 C ATOM 233 CG2 VAL A 16 -0.640 5.385 8.747 1.00 0.45 C ATOM 0 H VAL A 16 -2.131 9.159 9.495 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.032 6.508 10.755 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.334 6.628 8.309 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.480 7.289 6.837 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.118 8.655 7.781 1.00 0.54 H new ATOM 0 HG13 VAL A 16 0.417 7.889 8.252 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.524 5.024 7.725 1.00 0.45 H new ATOM 0 HG22 VAL A 16 0.342 5.485 9.210 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.239 4.675 9.317 1.00 0.45 H new ATOM 243 N PRO A 17 0.289 6.602 11.701 1.00 0.46 N ATOM 244 CA PRO A 17 1.588 6.684 12.380 1.00 0.50 C ATOM 245 C PRO A 17 2.774 6.595 11.422 1.00 0.43 C ATOM 246 O PRO A 17 2.642 6.151 10.281 1.00 0.48 O ATOM 247 CB PRO A 17 1.586 5.476 13.327 1.00 0.59 C ATOM 248 CG PRO A 17 0.161 5.057 13.429 1.00 0.53 C ATOM 249 CD PRO A 17 -0.462 5.407 12.113 1.00 0.50 C ATOM 0 HA PRO A 17 1.705 7.644 12.884 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.206 4.669 12.936 1.00 0.59 H new ATOM 0 HB3 PRO A 17 1.988 5.742 14.304 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.081 3.988 13.628 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.340 5.572 14.248 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -0.361 4.597 11.390 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.527 5.614 12.213 1.00 0.50 H new ATOM 257 N LEU A 18 3.929 7.022 11.908 1.00 0.42 N ATOM 258 CA LEU A 18 5.157 7.014 11.128 1.00 0.38 C ATOM 259 C LEU A 18 6.157 6.049 11.769 1.00 0.33 C ATOM 260 O LEU A 18 6.285 6.008 12.994 1.00 0.35 O ATOM 261 CB LEU A 18 5.735 8.435 11.083 1.00 0.46 C ATOM 262 CG LEU A 18 6.900 8.658 10.116 1.00 0.63 C ATOM 263 CD1 LEU A 18 6.437 8.567 8.667 1.00 1.15 C ATOM 264 CD2 LEU A 18 7.551 10.007 10.372 1.00 1.07 C ATOM 0 H LEU A 18 4.042 7.384 12.855 1.00 0.42 H new ATOM 0 HA LEU A 18 4.952 6.683 10.110 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.933 9.123 10.818 1.00 0.46 H new ATOM 0 HB3 LEU A 18 6.066 8.703 12.086 1.00 0.46 H new ATOM 0 HG LEU A 18 7.634 7.871 10.290 1.00 0.63 H new ATOM 0 HD11 LEU A 18 7.286 8.730 8.003 1.00 1.15 H new ATOM 0 HD12 LEU A 18 6.015 7.579 8.481 1.00 1.15 H new ATOM 0 HD13 LEU A 18 5.679 9.327 8.479 1.00 1.15 H new ATOM 0 HD21 LEU A 18 8.378 10.150 9.676 1.00 1.07 H new ATOM 0 HD22 LEU A 18 6.816 10.799 10.230 1.00 1.07 H new ATOM 0 HD23 LEU A 18 7.927 10.041 11.394 1.00 1.07 H new ATOM 276 N GLN A 19 6.844 5.265 10.939 1.00 0.36 N ATOM 277 CA GLN A 19 7.810 4.276 11.424 1.00 0.47 C ATOM 278 C GLN A 19 8.931 4.945 12.222 1.00 0.62 C ATOM 279 O GLN A 19 9.379 6.040 11.885 1.00 0.68 O ATOM 280 CB GLN A 19 8.426 3.465 10.265 1.00 0.49 C ATOM 281 CG GLN A 19 9.415 4.235 9.400 1.00 1.04 C ATOM 282 CD GLN A 19 8.786 5.398 8.664 1.00 2.08 C ATOM 283 OE1 GLN A 19 8.174 5.109 7.535 1.00 2.68 O flip ATOM 284 NE2 GLN A 19 8.829 6.537 9.117 1.00 2.93 N flip ATOM 0 H GLN A 19 6.750 5.295 9.924 1.00 0.36 H new ATOM 0 HA GLN A 19 7.261 3.595 12.075 1.00 0.47 H new ATOM 0 HB2 GLN A 19 8.930 2.592 10.679 1.00 0.49 H new ATOM 0 HB3 GLN A 19 7.620 3.096 9.630 1.00 0.49 H new ATOM 0 HG2 GLN A 19 10.224 4.606 10.028 1.00 1.04 H new ATOM 0 HG3 GLN A 19 9.861 3.554 8.675 1.00 1.04 H new ATOM 0 HE21 GLN A 19 9.314 6.718 9.996 1.00 2.93 H new ATOM 0 HE22 GLN A 19 8.380 7.303 8.615 1.00 2.93 H new ATOM 293 N PRO A 20 9.385 4.300 13.302 1.00 0.92 N ATOM 294 CA PRO A 20 10.488 4.809 14.111 1.00 1.20 C ATOM 295 C PRO A 20 11.853 4.443 13.526 1.00 1.19 C ATOM 296 O PRO A 20 12.129 3.272 13.253 1.00 1.36 O ATOM 297 CB PRO A 20 10.277 4.113 15.450 1.00 1.58 C ATOM 298 CG PRO A 20 9.627 2.813 15.108 1.00 1.65 C ATOM 299 CD PRO A 20 8.843 3.037 13.837 1.00 1.15 C ATOM 0 HA PRO A 20 10.490 5.897 14.171 1.00 1.20 H new ATOM 0 HB2 PRO A 20 11.223 3.957 15.968 1.00 1.58 H new ATOM 0 HB3 PRO A 20 9.646 4.709 16.110 1.00 1.58 H new ATOM 0 HG2 PRO A 20 10.375 2.032 14.968 1.00 1.65 H new ATOM 0 HG3 PRO A 20 8.971 2.485 15.914 1.00 1.65 H new ATOM 0 HD2 PRO A 20 8.979 2.215 13.134 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.774 3.114 14.036 1.00 1.15 H new ATOM 307 N GLY A 21 12.695 5.449 13.330 1.00 1.32 N ATOM 308 CA GLY A 21 14.030 5.218 12.808 1.00 1.38 C ATOM 309 C GLY A 21 14.016 4.882 11.334 1.00 1.06 C ATOM 310 O GLY A 21 14.329 3.757 10.937 1.00 1.29 O ATOM 0 H GLY A 21 12.477 6.426 13.524 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.641 6.106 12.971 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.498 4.403 13.360 1.00 1.38 H new ATOM 314 N PHE A 22 13.654 5.854 10.517 1.00 0.69 N ATOM 315 CA PHE A 22 13.531 5.629 9.090 1.00 0.51 C ATOM 316 C PHE A 22 14.759 6.129 8.343 1.00 0.51 C ATOM 317 O PHE A 22 15.299 7.195 8.646 1.00 0.68 O ATOM 318 CB PHE A 22 12.279 6.313 8.543 1.00 0.71 C ATOM 319 CG PHE A 22 12.009 5.985 7.103 1.00 1.19 C ATOM 320 CD1 PHE A 22 11.298 4.848 6.760 1.00 0.91 C ATOM 321 CD2 PHE A 22 12.472 6.811 6.092 1.00 2.08 C ATOM 322 CE1 PHE A 22 11.053 4.541 5.446 1.00 1.43 C ATOM 323 CE2 PHE A 22 12.229 6.506 4.768 1.00 2.66 C ATOM 324 CZ PHE A 22 11.520 5.370 4.446 1.00 2.32 C ATOM 0 H PHE A 22 13.440 6.805 10.817 1.00 0.69 H new ATOM 0 HA PHE A 22 13.447 4.554 8.934 1.00 0.51 H new ATOM 0 HB2 PHE A 22 11.419 6.017 9.144 1.00 0.71 H new ATOM 0 HB3 PHE A 22 12.386 7.392 8.649 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.931 4.194 7.537 1.00 0.91 H new ATOM 0 HD2 PHE A 22 13.028 7.702 6.342 1.00 2.08 H new ATOM 0 HE1 PHE A 22 10.495 3.651 5.194 1.00 1.43 H new ATOM 0 HE2 PHE A 22 12.594 7.156 3.987 1.00 2.66 H new ATOM 0 HZ PHE A 22 11.329 5.128 3.411 1.00 2.32 H new ATOM 334 N TRP A 23 15.188 5.340 7.371 1.00 0.48 N ATOM 335 CA TRP A 23 16.292 5.696 6.491 1.00 0.57 C ATOM 336 C TRP A 23 15.899 5.390 5.050 1.00 0.50 C ATOM 337 O TRP A 23 14.977 4.604 4.828 1.00 0.51 O ATOM 338 CB TRP A 23 17.563 4.920 6.855 1.00 0.78 C ATOM 339 CG TRP A 23 18.034 5.140 8.261 1.00 1.35 C ATOM 340 CD1 TRP A 23 17.860 4.303 9.324 1.00 2.36 C ATOM 341 CD2 TRP A 23 18.761 6.270 8.752 1.00 2.01 C ATOM 342 NE1 TRP A 23 18.440 4.840 10.447 1.00 3.05 N ATOM 343 CE2 TRP A 23 18.997 6.050 10.124 1.00 2.82 C ATOM 344 CE3 TRP A 23 19.236 7.449 8.169 1.00 2.70 C ATOM 345 CZ2 TRP A 23 19.689 6.963 10.915 1.00 3.70 C ATOM 346 CZ3 TRP A 23 19.921 8.353 8.956 1.00 3.72 C ATOM 347 CH2 TRP A 23 20.141 8.105 10.318 1.00 4.03 C ATOM 0 H TRP A 23 14.778 4.428 7.168 1.00 0.48 H new ATOM 0 HA TRP A 23 16.501 6.760 6.606 1.00 0.57 H new ATOM 0 HB2 TRP A 23 17.381 3.856 6.707 1.00 0.78 H new ATOM 0 HB3 TRP A 23 18.359 5.206 6.168 1.00 0.78 H new ATOM 0 HD1 TRP A 23 17.342 3.356 9.288 1.00 2.36 H new ATOM 0 HE1 TRP A 23 18.454 4.409 11.371 1.00 3.05 H new ATOM 0 HE3 TRP A 23 19.070 7.649 7.121 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 19.862 6.775 11.964 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 20.293 9.266 8.515 1.00 3.72 H new ATOM 0 HH2 TRP A 23 20.679 8.832 10.908 1.00 4.03 H new ATOM 358 N THR A 24 16.563 6.015 4.087 1.00 0.50 N ATOM 359 CA THR A 24 16.298 5.749 2.677 1.00 0.47 C ATOM 360 C THR A 24 16.370 4.254 2.374 1.00 0.46 C ATOM 361 O THR A 24 15.396 3.651 1.917 1.00 0.48 O ATOM 362 CB THR A 24 17.305 6.496 1.784 1.00 0.50 C ATOM 363 OG1 THR A 24 18.492 6.797 2.531 1.00 0.58 O ATOM 364 CG2 THR A 24 16.703 7.775 1.233 1.00 0.53 C ATOM 0 H THR A 24 17.290 6.710 4.255 1.00 0.50 H new ATOM 0 HA THR A 24 15.290 6.104 2.463 1.00 0.47 H new ATOM 0 HB THR A 24 17.559 5.850 0.944 1.00 0.50 H new ATOM 0 HG1 THR A 24 19.129 7.271 1.956 1.00 0.58 H new ATOM 0 HG21 THR A 24 17.437 8.282 0.606 1.00 0.53 H new ATOM 0 HG22 THR A 24 15.821 7.536 0.639 1.00 0.53 H new ATOM 0 HG23 THR A 24 16.418 8.428 2.058 1.00 0.53 H new ATOM 372 N GLU A 25 17.512 3.651 2.685 1.00 0.53 N ATOM 373 CA GLU A 25 17.746 2.244 2.389 1.00 0.60 C ATOM 374 C GLU A 25 16.969 1.351 3.353 1.00 0.60 C ATOM 375 O GLU A 25 16.770 0.164 3.101 1.00 0.63 O ATOM 376 CB GLU A 25 19.238 1.936 2.477 1.00 0.71 C ATOM 377 CG GLU A 25 20.079 2.728 1.494 1.00 1.31 C ATOM 378 CD GLU A 25 21.405 3.159 2.084 1.00 1.63 C ATOM 379 OE1 GLU A 25 22.283 2.291 2.268 1.00 1.88 O ATOM 380 OE2 GLU A 25 21.582 4.363 2.362 1.00 1.94 O ATOM 0 H GLU A 25 18.294 4.118 3.144 1.00 0.53 H new ATOM 0 HA GLU A 25 17.396 2.041 1.377 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.585 2.144 3.489 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.392 0.872 2.300 1.00 0.71 H new ATOM 0 HG2 GLU A 25 20.259 2.124 0.605 1.00 1.31 H new ATOM 0 HG3 GLU A 25 19.524 3.609 1.173 1.00 1.31 H new ATOM 387 N ARG A 26 16.531 1.945 4.458 1.00 0.64 N ATOM 388 CA ARG A 26 15.711 1.254 5.449 1.00 0.76 C ATOM 389 C ARG A 26 14.381 0.822 4.819 1.00 0.71 C ATOM 390 O ARG A 26 13.745 -0.133 5.263 1.00 0.87 O ATOM 391 CB ARG A 26 15.503 2.189 6.654 1.00 0.96 C ATOM 392 CG ARG A 26 14.615 1.672 7.782 1.00 1.62 C ATOM 393 CD ARG A 26 15.123 0.373 8.387 1.00 2.07 C ATOM 394 NE ARG A 26 14.604 -0.770 7.657 1.00 2.61 N ATOM 395 CZ ARG A 26 14.009 -1.809 8.216 1.00 3.42 C ATOM 396 NH1 ARG A 26 14.011 -1.964 9.538 1.00 3.88 N ATOM 397 NH2 ARG A 26 13.431 -2.705 7.436 1.00 4.18 N ATOM 0 H ARG A 26 16.733 2.917 4.692 1.00 0.64 H new ATOM 0 HA ARG A 26 16.210 0.349 5.796 1.00 0.76 H new ATOM 0 HB2 ARG A 26 16.481 2.425 7.073 1.00 0.96 H new ATOM 0 HB3 ARG A 26 15.078 3.124 6.289 1.00 0.96 H new ATOM 0 HG2 ARG A 26 14.550 2.430 8.563 1.00 1.62 H new ATOM 0 HG3 ARG A 26 13.605 1.519 7.402 1.00 1.62 H new ATOM 0 HD2 ARG A 26 16.213 0.359 8.368 1.00 2.07 H new ATOM 0 HD3 ARG A 26 14.822 0.311 9.433 1.00 2.07 H new ATOM 0 HE ARG A 26 14.706 -0.771 6.642 1.00 2.61 H new ATOM 0 HH11 ARG A 26 14.475 -1.276 10.131 1.00 3.88 H new ATOM 0 HH12 ARG A 26 13.548 -2.770 9.958 1.00 3.88 H new ATOM 0 HH21 ARG A 26 13.450 -2.587 6.423 1.00 4.18 H new ATOM 0 HH22 ARG A 26 12.966 -3.515 7.847 1.00 4.18 H new ATOM 411 N PHE A 27 13.987 1.511 3.760 1.00 0.59 N ATOM 412 CA PHE A 27 12.773 1.171 3.040 1.00 0.61 C ATOM 413 C PHE A 27 13.121 0.766 1.609 1.00 0.51 C ATOM 414 O PHE A 27 12.516 1.242 0.649 1.00 0.72 O ATOM 415 CB PHE A 27 11.821 2.368 3.036 1.00 0.71 C ATOM 416 CG PHE A 27 10.361 2.002 3.042 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.688 1.809 4.241 1.00 0.95 C ATOM 418 CD2 PHE A 27 9.656 1.867 1.857 1.00 1.74 C ATOM 419 CE1 PHE A 27 8.345 1.490 4.256 1.00 1.39 C ATOM 420 CE2 PHE A 27 8.311 1.544 1.868 1.00 2.21 C ATOM 421 CZ PHE A 27 7.656 1.355 3.068 1.00 2.03 C ATOM 0 H PHE A 27 14.493 2.311 3.380 1.00 0.59 H new ATOM 0 HA PHE A 27 12.281 0.333 3.534 1.00 0.61 H new ATOM 0 HB2 PHE A 27 12.031 2.987 3.908 1.00 0.71 H new ATOM 0 HB3 PHE A 27 12.027 2.977 2.156 1.00 0.71 H new ATOM 0 HD1 PHE A 27 10.222 1.910 5.174 1.00 0.95 H new ATOM 0 HD2 PHE A 27 10.162 2.016 0.915 1.00 1.74 H new ATOM 0 HE1 PHE A 27 7.834 1.346 5.197 1.00 1.39 H new ATOM 0 HE2 PHE A 27 7.773 1.440 0.937 1.00 2.21 H new ATOM 0 HZ PHE A 27 6.606 1.102 3.077 1.00 2.03 H new ATOM 431 N GLN A 28 14.116 -0.102 1.469 1.00 0.40 N ATOM 432 CA GLN A 28 14.549 -0.550 0.156 1.00 0.31 C ATOM 433 C GLN A 28 14.564 -2.066 0.072 1.00 0.30 C ATOM 434 O GLN A 28 14.973 -2.754 1.008 1.00 0.37 O ATOM 435 CB GLN A 28 15.935 0.005 -0.180 1.00 0.28 C ATOM 436 CG GLN A 28 16.497 -0.490 -1.504 1.00 0.45 C ATOM 437 CD GLN A 28 17.871 0.071 -1.822 1.00 0.77 C ATOM 438 OE1 GLN A 28 18.200 0.303 -2.986 1.00 1.73 O ATOM 439 NE2 GLN A 28 18.698 0.255 -0.804 1.00 1.23 N ATOM 0 H GLN A 28 14.635 -0.507 2.248 1.00 0.40 H new ATOM 0 HA GLN A 28 13.833 -0.170 -0.573 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.883 1.093 -0.204 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.626 -0.264 0.619 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.553 -1.578 -1.482 1.00 0.45 H new ATOM 0 HG3 GLN A 28 15.809 -0.222 -2.306 1.00 0.45 H new ATOM 0 HE21 GLN A 28 18.390 0.052 0.147 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.643 0.600 -0.971 1.00 1.23 H new ATOM 448 N GLY A 29 14.120 -2.571 -1.063 1.00 0.29 N ATOM 449 CA GLY A 29 14.114 -3.998 -1.297 1.00 0.32 C ATOM 450 C GLY A 29 12.739 -4.546 -1.601 1.00 0.30 C ATOM 451 O GLY A 29 11.834 -3.808 -1.996 1.00 0.28 O ATOM 0 H GLY A 29 13.759 -2.012 -1.836 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.781 -4.226 -2.129 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.514 -4.505 -0.419 1.00 0.32 H new ATOM 455 N ARG A 30 12.595 -5.852 -1.421 1.00 0.35 N ATOM 456 CA ARG A 30 11.368 -6.555 -1.770 1.00 0.36 C ATOM 457 C ARG A 30 10.406 -6.619 -0.589 1.00 0.39 C ATOM 458 O ARG A 30 10.766 -7.122 0.477 1.00 0.51 O ATOM 459 CB ARG A 30 11.678 -7.992 -2.210 1.00 0.46 C ATOM 460 CG ARG A 30 12.326 -8.129 -3.579 1.00 0.51 C ATOM 461 CD ARG A 30 13.766 -7.633 -3.605 1.00 0.66 C ATOM 462 NE ARG A 30 14.459 -8.036 -4.830 1.00 1.20 N ATOM 463 CZ ARG A 30 15.504 -7.395 -5.352 1.00 1.70 C ATOM 464 NH1 ARG A 30 15.981 -6.299 -4.771 1.00 1.65 N ATOM 465 NH2 ARG A 30 16.073 -7.864 -6.455 1.00 2.57 N ATOM 0 H ARG A 30 13.322 -6.452 -1.031 1.00 0.35 H new ATOM 0 HA ARG A 30 10.905 -5.999 -2.585 1.00 0.36 H new ATOM 0 HB2 ARG A 30 12.335 -8.447 -1.469 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.750 -8.563 -2.207 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.302 -9.175 -3.884 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.741 -7.570 -4.310 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.777 -6.546 -3.522 1.00 0.66 H new ATOM 0 HD3 ARG A 30 14.301 -8.024 -2.740 1.00 0.66 H new ATOM 0 HE ARG A 30 14.118 -8.865 -5.318 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.547 -5.943 -3.919 1.00 1.65 H new ATOM 0 HH12 ARG A 30 16.781 -5.814 -5.177 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.710 -8.709 -6.896 1.00 2.57 H new ATOM 0 HH22 ARG A 30 16.873 -7.380 -6.861 1.00 2.57 H new ATOM 479 N TRP A 31 9.195 -6.115 -0.774 1.00 0.34 N ATOM 480 CA TRP A 31 8.135 -6.315 0.209 1.00 0.42 C ATOM 481 C TRP A 31 6.867 -6.835 -0.465 1.00 0.34 C ATOM 482 O TRP A 31 6.401 -6.275 -1.460 1.00 0.34 O ATOM 483 CB TRP A 31 7.847 -5.029 0.991 1.00 0.55 C ATOM 484 CG TRP A 31 8.642 -4.909 2.263 1.00 0.85 C ATOM 485 CD1 TRP A 31 8.253 -5.310 3.510 1.00 1.94 C ATOM 486 CD2 TRP A 31 9.952 -4.346 2.416 1.00 0.74 C ATOM 487 NE1 TRP A 31 9.242 -5.036 4.425 1.00 1.91 N ATOM 488 CE2 TRP A 31 10.292 -4.444 3.778 1.00 0.91 C ATOM 489 CE3 TRP A 31 10.871 -3.769 1.535 1.00 1.79 C ATOM 490 CZ2 TRP A 31 11.508 -3.988 4.277 1.00 0.90 C ATOM 491 CZ3 TRP A 31 12.077 -3.319 2.033 1.00 2.36 C ATOM 492 CH2 TRP A 31 12.386 -3.431 3.393 1.00 1.70 C ATOM 0 H TRP A 31 8.921 -5.567 -1.590 1.00 0.34 H new ATOM 0 HA TRP A 31 8.479 -7.064 0.922 1.00 0.42 H new ATOM 0 HB2 TRP A 31 8.062 -4.170 0.355 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.784 -4.989 1.231 1.00 0.55 H new ATOM 0 HD1 TRP A 31 7.306 -5.775 3.743 1.00 1.94 H new ATOM 0 HE1 TRP A 31 9.200 -5.241 5.423 1.00 1.91 H new ATOM 0 HE3 TRP A 31 10.642 -3.677 0.484 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.749 -4.072 5.327 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 12.795 -2.872 1.361 1.00 2.36 H new ATOM 0 HH2 TRP A 31 13.339 -3.069 3.751 1.00 1.70 H new ATOM 503 N PHE A 32 6.335 -7.924 0.077 1.00 0.31 N ATOM 504 CA PHE A 32 5.136 -8.560 -0.465 1.00 0.30 C ATOM 505 C PHE A 32 3.896 -8.105 0.286 1.00 0.29 C ATOM 506 O PHE A 32 3.955 -7.831 1.485 1.00 0.33 O ATOM 507 CB PHE A 32 5.234 -10.085 -0.364 1.00 0.38 C ATOM 508 CG PHE A 32 6.201 -10.711 -1.321 1.00 0.63 C ATOM 509 CD1 PHE A 32 7.562 -10.685 -1.073 1.00 1.10 C ATOM 510 CD2 PHE A 32 5.743 -11.339 -2.466 1.00 0.68 C ATOM 511 CE1 PHE A 32 8.449 -11.273 -1.949 1.00 1.62 C ATOM 512 CE2 PHE A 32 6.625 -11.930 -3.345 1.00 1.17 C ATOM 513 CZ PHE A 32 7.979 -11.896 -3.086 1.00 1.64 C ATOM 0 H PHE A 32 6.718 -8.390 0.899 1.00 0.31 H new ATOM 0 HA PHE A 32 5.059 -8.266 -1.512 1.00 0.30 H new ATOM 0 HB2 PHE A 32 5.525 -10.351 0.652 1.00 0.38 H new ATOM 0 HB3 PHE A 32 4.246 -10.512 -0.535 1.00 0.38 H new ATOM 0 HD1 PHE A 32 7.933 -10.199 -0.183 1.00 1.10 H new ATOM 0 HD2 PHE A 32 4.683 -11.366 -2.673 1.00 0.68 H new ATOM 0 HE1 PHE A 32 9.509 -11.246 -1.745 1.00 1.62 H new ATOM 0 HE2 PHE A 32 6.256 -12.419 -4.235 1.00 1.17 H new ATOM 0 HZ PHE A 32 8.672 -12.358 -3.774 1.00 1.64 H new ATOM 523 N VAL A 33 2.775 -8.037 -0.416 1.00 0.28 N ATOM 524 CA VAL A 33 1.507 -7.694 0.216 1.00 0.30 C ATOM 525 C VAL A 33 0.844 -8.945 0.768 1.00 0.31 C ATOM 526 O VAL A 33 0.251 -9.720 0.022 1.00 0.52 O ATOM 527 CB VAL A 33 0.521 -7.016 -0.756 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.307 -5.969 -0.032 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.235 -6.419 -1.950 1.00 0.74 C ATOM 0 H VAL A 33 2.716 -8.214 -1.419 1.00 0.28 H new ATOM 0 HA VAL A 33 1.742 -6.989 1.014 1.00 0.30 H new ATOM 0 HB VAL A 33 -0.153 -7.784 -1.136 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -0.997 -5.501 -0.734 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -0.872 -6.443 0.771 1.00 0.74 H new ATOM 0 HG13 VAL A 33 0.353 -5.210 0.388 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.507 -5.950 -2.612 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.950 -5.671 -1.609 1.00 0.74 H new ATOM 0 HG23 VAL A 33 1.762 -7.206 -2.489 1.00 0.74 H new ATOM 539 N VAL A 34 0.950 -9.137 2.071 1.00 0.20 N ATOM 540 CA VAL A 34 0.380 -10.306 2.721 1.00 0.25 C ATOM 541 C VAL A 34 -1.059 -10.017 3.173 1.00 0.28 C ATOM 542 O VAL A 34 -1.795 -10.915 3.594 1.00 0.47 O ATOM 543 CB VAL A 34 1.249 -10.754 3.923 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.779 -12.091 4.480 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.713 -10.833 3.518 1.00 0.29 C ATOM 0 H VAL A 34 1.428 -8.495 2.703 1.00 0.20 H new ATOM 0 HA VAL A 34 0.362 -11.122 1.998 1.00 0.25 H new ATOM 0 HB VAL A 34 1.141 -10.008 4.710 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.410 -12.376 5.322 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.255 -12.003 4.814 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.845 -12.852 3.703 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.311 -11.149 4.373 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.828 -11.554 2.709 1.00 0.29 H new ATOM 0 HG23 VAL A 34 3.051 -9.853 3.182 1.00 0.29 H new ATOM 555 N GLY A 35 -1.463 -8.761 3.060 1.00 0.19 N ATOM 556 CA GLY A 35 -2.831 -8.389 3.373 1.00 0.19 C ATOM 557 C GLY A 35 -3.162 -6.997 2.877 1.00 0.17 C ATOM 558 O GLY A 35 -2.258 -6.234 2.534 1.00 0.18 O ATOM 0 H GLY A 35 -0.868 -7.990 2.757 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.515 -9.108 2.923 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -2.983 -8.437 4.451 1.00 0.19 H new ATOM 562 N LEU A 36 -4.444 -6.657 2.847 1.00 0.17 N ATOM 563 CA LEU A 36 -4.865 -5.347 2.379 1.00 0.18 C ATOM 564 C LEU A 36 -6.247 -5.003 2.909 1.00 0.16 C ATOM 565 O LEU A 36 -7.120 -5.854 2.971 1.00 0.18 O ATOM 566 CB LEU A 36 -4.884 -5.300 0.857 1.00 0.20 C ATOM 567 CG LEU A 36 -4.832 -3.889 0.287 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.476 -3.273 0.577 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.118 -3.898 -1.203 1.00 0.30 C ATOM 0 H LEU A 36 -5.206 -7.268 3.140 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.148 -4.616 2.752 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.036 -5.868 0.474 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -5.787 -5.794 0.498 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.602 -3.284 0.765 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.440 -2.263 0.168 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.317 -3.234 1.655 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -2.695 -3.879 0.117 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.075 -2.879 -1.588 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.374 -4.510 -1.713 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.111 -4.312 -1.380 1.00 0.30 H new ATOM 581 N ALA A 37 -6.450 -3.750 3.267 1.00 0.17 N ATOM 582 CA ALA A 37 -7.721 -3.321 3.838 1.00 0.18 C ATOM 583 C ALA A 37 -8.041 -1.908 3.410 1.00 0.24 C ATOM 584 O ALA A 37 -7.223 -1.018 3.577 1.00 0.43 O ATOM 585 CB ALA A 37 -7.654 -3.405 5.350 1.00 0.25 C ATOM 0 H ALA A 37 -5.755 -3.009 3.175 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.511 -3.978 3.476 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.605 -3.084 5.775 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.452 -4.434 5.649 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -6.857 -2.758 5.715 1.00 0.25 H new ATOM 591 N GLY A 38 -9.222 -1.684 2.868 1.00 0.22 N ATOM 592 CA GLY A 38 -9.527 -0.370 2.357 1.00 0.26 C ATOM 593 C GLY A 38 -10.741 -0.343 1.474 1.00 0.25 C ATOM 594 O GLY A 38 -11.173 -1.366 0.968 1.00 0.26 O ATOM 0 H GLY A 38 -9.965 -2.376 2.773 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.680 0.311 3.194 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.670 0.002 1.796 1.00 0.26 H new ATOM 598 N ASN A 39 -11.284 0.842 1.276 1.00 0.26 N ATOM 599 CA ASN A 39 -12.508 0.998 0.507 1.00 0.27 C ATOM 600 C ASN A 39 -12.213 0.868 -0.993 1.00 0.32 C ATOM 601 O ASN A 39 -13.091 0.561 -1.793 1.00 0.40 O ATOM 602 CB ASN A 39 -13.164 2.344 0.851 1.00 0.31 C ATOM 603 CG ASN A 39 -14.382 2.680 0.004 1.00 1.08 C ATOM 604 OD1 ASN A 39 -14.622 3.846 -0.305 1.00 1.94 O ATOM 605 ND2 ASN A 39 -15.176 1.678 -0.345 1.00 1.73 N ATOM 0 H ASN A 39 -10.898 1.714 1.637 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.211 0.206 0.767 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.457 2.334 1.901 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.424 3.136 0.734 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -16.019 1.861 -0.889 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -14.944 0.724 -0.070 1.00 1.73 H new ATOM 612 N ALA A 40 -10.954 1.072 -1.360 1.00 0.34 N ATOM 613 CA ALA A 40 -10.521 0.897 -2.746 1.00 0.41 C ATOM 614 C ALA A 40 -9.902 -0.487 -2.934 1.00 0.39 C ATOM 615 O ALA A 40 -9.385 -0.817 -4.000 1.00 0.45 O ATOM 616 CB ALA A 40 -9.533 1.987 -3.129 1.00 0.46 C ATOM 0 H ALA A 40 -10.213 1.359 -0.720 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.389 0.976 -3.401 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.218 1.846 -4.163 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -10.009 2.962 -3.025 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.663 1.936 -2.475 1.00 0.46 H new ATOM 622 N VAL A 41 -9.946 -1.275 -1.871 1.00 0.34 N ATOM 623 CA VAL A 41 -9.463 -2.654 -1.885 1.00 0.33 C ATOM 624 C VAL A 41 -10.344 -3.552 -2.758 1.00 0.42 C ATOM 625 O VAL A 41 -11.566 -3.390 -2.799 1.00 0.46 O ATOM 626 CB VAL A 41 -9.399 -3.218 -0.441 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.523 -4.741 -0.400 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.104 -2.779 0.221 1.00 0.30 C ATOM 0 H VAL A 41 -10.319 -0.978 -0.969 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.461 -2.647 -2.314 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.252 -2.816 0.106 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.472 -5.083 0.634 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.477 -5.040 -0.834 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -8.709 -5.188 -0.970 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.061 -3.176 1.235 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.257 -3.155 -0.352 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.064 -1.690 0.256 1.00 0.30 H new ATOM 638 N GLN A 42 -9.708 -4.484 -3.470 1.00 0.55 N ATOM 639 CA GLN A 42 -10.431 -5.473 -4.261 1.00 0.69 C ATOM 640 C GLN A 42 -11.019 -6.540 -3.341 1.00 0.60 C ATOM 641 O GLN A 42 -10.483 -7.645 -3.212 1.00 0.70 O ATOM 642 CB GLN A 42 -9.500 -6.128 -5.287 1.00 0.93 C ATOM 643 CG GLN A 42 -8.782 -5.138 -6.189 1.00 1.49 C ATOM 644 CD GLN A 42 -9.735 -4.240 -6.952 1.00 1.84 C ATOM 645 OE1 GLN A 42 -10.079 -3.148 -6.502 1.00 2.44 O ATOM 646 NE2 GLN A 42 -10.175 -4.699 -8.110 1.00 2.35 N ATOM 0 H GLN A 42 -8.693 -4.572 -3.513 1.00 0.55 H new ATOM 0 HA GLN A 42 -11.237 -4.970 -4.795 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -8.758 -6.727 -4.759 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -10.081 -6.812 -5.905 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -8.114 -4.523 -5.586 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -8.159 -5.684 -6.897 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -9.865 -5.610 -8.448 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -10.824 -4.142 -8.666 1.00 2.35 H new ATOM 655 N LYS A 43 -12.129 -6.197 -2.718 1.00 0.50 N ATOM 656 CA LYS A 43 -12.761 -7.043 -1.724 1.00 0.48 C ATOM 657 C LYS A 43 -14.119 -7.512 -2.239 1.00 0.59 C ATOM 658 O LYS A 43 -15.138 -6.870 -1.999 1.00 0.69 O ATOM 659 CB LYS A 43 -12.924 -6.238 -0.432 1.00 0.43 C ATOM 660 CG LYS A 43 -12.868 -7.035 0.850 1.00 0.57 C ATOM 661 CD LYS A 43 -13.777 -8.238 0.903 1.00 0.55 C ATOM 662 CE LYS A 43 -13.304 -9.113 2.041 1.00 0.52 C ATOM 663 NZ LYS A 43 -14.096 -10.360 2.199 1.00 0.97 N ATOM 0 H LYS A 43 -12.621 -5.319 -2.888 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.147 -7.922 -1.528 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.144 -5.477 -0.399 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -13.879 -5.714 -0.471 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -11.842 -7.369 1.006 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.118 -6.374 1.680 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -14.811 -7.931 1.059 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -13.746 -8.784 -0.040 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -12.259 -9.374 1.877 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -13.349 -8.544 2.969 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -14.401 -10.454 3.189 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -14.932 -10.321 1.581 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -13.510 -11.179 1.938 1.00 0.97 H new ATOM 677 N GLU A 44 -14.133 -8.625 -2.957 1.00 0.68 N ATOM 678 CA GLU A 44 -15.375 -9.112 -3.552 1.00 0.80 C ATOM 679 C GLU A 44 -16.209 -9.891 -2.542 1.00 0.76 C ATOM 680 O GLU A 44 -17.344 -9.529 -2.240 1.00 0.88 O ATOM 681 CB GLU A 44 -15.111 -9.971 -4.803 1.00 0.94 C ATOM 682 CG GLU A 44 -13.724 -10.589 -4.894 1.00 0.95 C ATOM 683 CD GLU A 44 -13.573 -11.827 -4.049 1.00 1.59 C ATOM 684 OE1 GLU A 44 -13.902 -12.932 -4.522 1.00 2.00 O ATOM 685 OE2 GLU A 44 -13.137 -11.688 -2.896 1.00 2.22 O ATOM 0 H GLU A 44 -13.313 -9.203 -3.142 1.00 0.68 H new ATOM 0 HA GLU A 44 -15.942 -8.233 -3.860 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -15.849 -10.772 -4.834 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -15.273 -9.354 -5.687 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -13.511 -10.838 -5.934 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -12.983 -9.852 -4.584 1.00 0.95 H new ATOM 692 N ARG A 45 -15.628 -10.945 -2.013 1.00 0.70 N ATOM 693 CA ARG A 45 -16.294 -11.796 -1.048 1.00 0.79 C ATOM 694 C ARG A 45 -15.251 -12.384 -0.121 1.00 0.79 C ATOM 695 O ARG A 45 -15.486 -12.580 1.069 1.00 0.90 O ATOM 696 CB ARG A 45 -17.047 -12.917 -1.767 1.00 0.94 C ATOM 697 CG ARG A 45 -17.852 -13.820 -0.847 1.00 1.54 C ATOM 698 CD ARG A 45 -19.039 -13.084 -0.247 1.00 1.86 C ATOM 699 NE ARG A 45 -19.836 -13.946 0.620 1.00 2.25 N ATOM 700 CZ ARG A 45 -21.167 -13.979 0.618 1.00 2.90 C ATOM 701 NH1 ARG A 45 -21.860 -13.207 -0.212 1.00 3.09 N ATOM 702 NH2 ARG A 45 -21.809 -14.796 1.442 1.00 3.78 N ATOM 0 H ARG A 45 -14.678 -11.238 -2.240 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.013 -11.211 -0.474 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -17.720 -12.474 -2.502 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -16.330 -13.526 -2.318 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -18.204 -14.688 -1.404 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -17.211 -14.192 -0.048 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -18.683 -12.226 0.323 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -19.667 -12.695 -1.048 1.00 1.86 H new ATOM 0 HE ARG A 45 -19.343 -14.561 1.267 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -21.373 -12.583 -0.855 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -22.879 -13.239 -0.207 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -21.283 -15.398 2.076 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -22.829 -14.823 1.442 1.00 3.78 H new ATOM 716 N GLN A 46 -14.079 -12.622 -0.678 1.00 0.80 N ATOM 717 CA GLN A 46 -12.992 -13.242 0.056 1.00 0.94 C ATOM 718 C GLN A 46 -11.745 -12.370 -0.004 1.00 0.86 C ATOM 719 O GLN A 46 -11.355 -11.757 0.991 1.00 0.94 O ATOM 720 CB GLN A 46 -12.676 -14.619 -0.531 1.00 1.13 C ATOM 721 CG GLN A 46 -13.910 -15.447 -0.840 1.00 1.36 C ATOM 722 CD GLN A 46 -13.571 -16.775 -1.483 1.00 1.85 C ATOM 723 OE1 GLN A 46 -13.486 -16.882 -2.707 1.00 2.42 O ATOM 724 NE2 GLN A 46 -13.377 -17.794 -0.665 1.00 2.45 N ATOM 0 H GLN A 46 -13.854 -12.393 -1.646 1.00 0.80 H new ATOM 0 HA GLN A 46 -13.301 -13.354 1.095 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -12.097 -14.490 -1.445 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -12.047 -15.168 0.170 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -14.465 -15.624 0.081 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -14.566 -14.883 -1.503 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -13.457 -17.661 0.343 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -13.147 -18.714 -1.042 1.00 2.45 H new ATOM 733 N SER A 47 -11.178 -12.265 -1.204 1.00 0.79 N ATOM 734 CA SER A 47 -9.884 -11.626 -1.415 1.00 0.80 C ATOM 735 C SER A 47 -9.440 -11.796 -2.869 1.00 0.82 C ATOM 736 O SER A 47 -8.711 -12.728 -3.196 1.00 0.93 O ATOM 737 CB SER A 47 -8.834 -12.233 -0.473 1.00 0.93 C ATOM 738 OG SER A 47 -8.828 -13.649 -0.556 1.00 1.58 O ATOM 0 H SER A 47 -11.605 -12.622 -2.059 1.00 0.79 H new ATOM 0 HA SER A 47 -9.982 -10.562 -1.198 1.00 0.80 H new ATOM 0 HB2 SER A 47 -7.847 -11.847 -0.727 1.00 0.93 H new ATOM 0 HB3 SER A 47 -9.041 -11.927 0.552 1.00 0.93 H new ATOM 0 HG SER A 47 -8.771 -13.921 -1.496 1.00 1.58 H new ATOM 744 N ARG A 48 -9.888 -10.908 -3.748 1.00 0.81 N ATOM 745 CA ARG A 48 -9.508 -10.995 -5.156 1.00 0.90 C ATOM 746 C ARG A 48 -8.222 -10.217 -5.399 1.00 0.92 C ATOM 747 O ARG A 48 -7.644 -10.258 -6.480 1.00 1.64 O ATOM 748 CB ARG A 48 -10.617 -10.445 -6.057 1.00 0.95 C ATOM 749 CG ARG A 48 -10.490 -10.886 -7.507 1.00 1.22 C ATOM 750 CD ARG A 48 -10.656 -12.391 -7.628 1.00 1.72 C ATOM 751 NE ARG A 48 -10.120 -12.915 -8.879 1.00 2.25 N ATOM 752 CZ ARG A 48 -9.707 -14.172 -9.036 1.00 2.93 C ATOM 753 NH1 ARG A 48 -9.845 -15.051 -8.046 1.00 3.36 N ATOM 754 NH2 ARG A 48 -9.178 -14.553 -10.193 1.00 3.61 N ATOM 0 H ARG A 48 -10.506 -10.130 -3.518 1.00 0.81 H new ATOM 0 HA ARG A 48 -9.350 -12.046 -5.400 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -11.583 -10.768 -5.670 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -10.604 -9.356 -6.013 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -11.243 -10.382 -8.113 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -9.517 -10.590 -7.898 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -10.155 -12.877 -6.791 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -11.714 -12.643 -7.556 1.00 1.72 H new ATOM 0 HE ARG A 48 -10.058 -12.284 -9.678 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -10.268 -14.763 -7.164 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -9.528 -16.012 -8.170 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -9.089 -13.884 -10.958 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -8.861 -15.514 -10.317 1.00 3.61 H new ATOM 768 N PHE A 49 -7.783 -9.510 -4.369 1.00 0.49 N ATOM 769 CA PHE A 49 -6.604 -8.657 -4.459 1.00 0.42 C ATOM 770 C PHE A 49 -5.319 -9.450 -4.671 1.00 0.59 C ATOM 771 O PHE A 49 -4.345 -8.946 -5.230 1.00 1.46 O ATOM 772 CB PHE A 49 -6.514 -7.769 -3.209 1.00 0.35 C ATOM 773 CG PHE A 49 -5.156 -7.182 -2.973 1.00 0.32 C ATOM 774 CD1 PHE A 49 -4.646 -6.209 -3.816 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.386 -7.617 -1.908 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.390 -5.680 -3.601 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.127 -7.092 -1.688 1.00 0.30 C ATOM 778 CZ PHE A 49 -2.629 -6.123 -2.537 1.00 0.37 C ATOM 0 H PHE A 49 -8.229 -9.510 -3.452 1.00 0.49 H new ATOM 0 HA PHE A 49 -6.715 -8.026 -5.341 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.238 -6.959 -3.299 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -6.801 -8.357 -2.337 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.237 -5.861 -4.650 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -4.773 -8.374 -1.242 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.002 -4.921 -4.264 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.534 -7.438 -0.854 1.00 0.30 H new ATOM 0 HZ PHE A 49 -1.645 -5.712 -2.369 1.00 0.37 H new ATOM 788 N THR A 50 -5.361 -10.698 -4.262 1.00 0.46 N ATOM 789 CA THR A 50 -4.196 -11.593 -4.289 1.00 0.42 C ATOM 790 C THR A 50 -2.981 -10.920 -3.647 1.00 0.47 C ATOM 791 O THR A 50 -3.100 -10.292 -2.598 1.00 0.84 O ATOM 792 CB THR A 50 -3.848 -12.095 -5.723 1.00 0.42 C ATOM 793 OG1 THR A 50 -3.743 -11.010 -6.651 1.00 0.89 O ATOM 794 CG2 THR A 50 -4.882 -13.094 -6.230 1.00 0.82 C ATOM 0 H THR A 50 -6.206 -11.137 -3.896 1.00 0.46 H new ATOM 0 HA THR A 50 -4.468 -12.473 -3.706 1.00 0.42 H new ATOM 0 HB THR A 50 -2.880 -12.591 -5.652 1.00 0.42 H new ATOM 0 HG1 THR A 50 -3.560 -10.180 -6.164 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.609 -13.423 -7.232 1.00 0.82 H new ATOM 0 HG22 THR A 50 -4.915 -13.954 -5.562 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.863 -12.619 -6.259 1.00 0.82 H new ATOM 802 N MET A 51 -1.817 -11.101 -4.242 1.00 0.25 N ATOM 803 CA MET A 51 -0.614 -10.403 -3.796 1.00 0.24 C ATOM 804 C MET A 51 0.292 -10.079 -4.959 1.00 0.26 C ATOM 805 O MET A 51 0.303 -10.771 -5.976 1.00 0.29 O ATOM 806 CB MET A 51 0.178 -11.218 -2.772 1.00 0.25 C ATOM 807 CG MET A 51 0.672 -12.563 -3.277 1.00 0.31 C ATOM 808 SD MET A 51 1.196 -13.648 -1.933 1.00 0.50 S ATOM 809 CE MET A 51 2.093 -12.500 -0.889 1.00 1.00 C ATOM 0 H MET A 51 -1.673 -11.725 -5.036 1.00 0.25 H new ATOM 0 HA MET A 51 -0.955 -9.481 -3.325 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.036 -10.630 -2.445 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.449 -11.382 -1.895 1.00 0.25 H new ATOM 0 HG2 MET A 51 -0.121 -13.049 -3.845 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.506 -12.408 -3.962 1.00 0.31 H new ATOM 0 HE1 MET A 51 2.667 -13.055 -0.147 1.00 1.00 H new ATOM 0 HE2 MET A 51 2.770 -11.905 -1.501 1.00 1.00 H new ATOM 0 HE3 MET A 51 1.388 -11.841 -0.383 1.00 1.00 H new ATOM 819 N TYR A 52 1.043 -9.013 -4.785 1.00 0.28 N ATOM 820 CA TYR A 52 2.095 -8.646 -5.701 1.00 0.32 C ATOM 821 C TYR A 52 3.250 -8.032 -4.922 1.00 0.30 C ATOM 822 O TYR A 52 3.181 -7.919 -3.697 1.00 0.30 O ATOM 823 CB TYR A 52 1.580 -7.709 -6.797 1.00 0.42 C ATOM 824 CG TYR A 52 0.701 -6.556 -6.342 1.00 0.48 C ATOM 825 CD1 TYR A 52 0.957 -5.846 -5.176 1.00 0.49 C ATOM 826 CD2 TYR A 52 -0.378 -6.159 -7.125 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.161 -4.778 -4.803 1.00 0.61 C ATOM 828 CE2 TYR A 52 -1.178 -5.098 -6.756 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.905 -4.410 -5.595 1.00 0.71 C ATOM 830 OH TYR A 52 -1.698 -3.343 -5.230 1.00 0.85 O ATOM 0 H TYR A 52 0.938 -8.374 -3.997 1.00 0.28 H new ATOM 0 HA TYR A 52 2.456 -9.541 -6.208 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.439 -7.296 -7.325 1.00 0.42 H new ATOM 0 HB3 TYR A 52 1.018 -8.303 -7.518 1.00 0.42 H new ATOM 0 HD1 TYR A 52 1.790 -6.132 -4.551 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.593 -6.692 -8.039 1.00 0.61 H new ATOM 0 HE1 TYR A 52 0.374 -4.235 -3.894 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -2.014 -4.808 -7.375 1.00 0.72 H new ATOM 0 HH TYR A 52 -2.404 -3.217 -5.898 1.00 0.85 H new ATOM 840 N SER A 53 4.316 -7.664 -5.610 1.00 0.33 N ATOM 841 CA SER A 53 5.499 -7.159 -4.939 1.00 0.33 C ATOM 842 C SER A 53 5.750 -5.701 -5.270 1.00 0.37 C ATOM 843 O SER A 53 5.662 -5.289 -6.429 1.00 0.52 O ATOM 844 CB SER A 53 6.730 -7.980 -5.324 1.00 0.40 C ATOM 845 OG SER A 53 6.509 -9.361 -5.122 1.00 0.93 O ATOM 0 H SER A 53 4.387 -7.705 -6.627 1.00 0.33 H new ATOM 0 HA SER A 53 5.321 -7.247 -3.867 1.00 0.33 H new ATOM 0 HB2 SER A 53 6.979 -7.798 -6.370 1.00 0.40 H new ATOM 0 HB3 SER A 53 7.586 -7.656 -4.732 1.00 0.40 H new ATOM 0 HG SER A 53 6.644 -9.579 -4.176 1.00 0.93 H new ATOM 851 N THR A 54 6.051 -4.929 -4.240 1.00 0.31 N ATOM 852 CA THR A 54 6.528 -3.572 -4.406 1.00 0.33 C ATOM 853 C THR A 54 8.001 -3.539 -4.023 1.00 0.29 C ATOM 854 O THR A 54 8.358 -3.658 -2.847 1.00 0.27 O ATOM 855 CB THR A 54 5.736 -2.590 -3.528 1.00 0.37 C ATOM 856 OG1 THR A 54 4.379 -3.034 -3.395 1.00 0.43 O ATOM 857 CG2 THR A 54 5.742 -1.203 -4.147 1.00 0.43 C ATOM 0 H THR A 54 5.971 -5.227 -3.268 1.00 0.31 H new ATOM 0 HA THR A 54 6.392 -3.266 -5.443 1.00 0.33 H new ATOM 0 HB THR A 54 6.209 -2.551 -2.547 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.982 -2.637 -2.592 1.00 0.43 H new ATOM 0 HG21 THR A 54 5.177 -0.519 -3.513 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.769 -0.849 -4.237 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.284 -1.244 -5.135 1.00 0.43 H new ATOM 865 N ILE A 55 8.859 -3.437 -5.027 1.00 0.30 N ATOM 866 CA ILE A 55 10.294 -3.473 -4.802 1.00 0.28 C ATOM 867 C ILE A 55 10.869 -2.074 -4.884 1.00 0.24 C ATOM 868 O ILE A 55 11.140 -1.573 -5.972 1.00 0.26 O ATOM 869 CB ILE A 55 11.027 -4.363 -5.828 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.196 -5.602 -6.195 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.387 -4.772 -5.276 1.00 0.32 C ATOM 872 CD1 ILE A 55 9.816 -6.468 -5.019 1.00 0.72 C ATOM 0 H ILE A 55 8.586 -3.329 -6.004 1.00 0.30 H new ATOM 0 HA ILE A 55 10.445 -3.896 -3.809 1.00 0.28 H new ATOM 0 HB ILE A 55 11.170 -3.786 -6.741 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.287 -5.278 -6.701 1.00 0.50 H new ATOM 0 HG13 ILE A 55 10.760 -6.205 -6.907 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.901 -5.400 -6.004 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.983 -3.881 -5.081 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.251 -5.328 -4.348 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.231 -7.319 -5.368 1.00 0.72 H new ATOM 0 HD12 ILE A 55 10.719 -6.826 -4.524 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.223 -5.885 -4.314 1.00 0.72 H new ATOM 884 N TYR A 56 11.046 -1.445 -3.740 1.00 0.25 N ATOM 885 CA TYR A 56 11.532 -0.075 -3.699 1.00 0.27 C ATOM 886 C TYR A 56 13.054 -0.065 -3.745 1.00 0.30 C ATOM 887 O TYR A 56 13.703 -0.651 -2.886 1.00 0.36 O ATOM 888 CB TYR A 56 11.041 0.644 -2.435 1.00 0.32 C ATOM 889 CG TYR A 56 9.932 -0.075 -1.681 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.617 -0.092 -2.148 1.00 0.32 C ATOM 891 CD2 TYR A 56 10.200 -0.714 -0.478 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.617 -0.728 -1.437 1.00 0.43 C ATOM 893 CE2 TYR A 56 9.202 -1.356 0.231 1.00 1.01 C ATOM 894 CZ TYR A 56 7.914 -1.357 -0.252 1.00 0.79 C ATOM 895 OH TYR A 56 6.916 -1.986 0.456 1.00 1.02 O ATOM 0 H TYR A 56 10.862 -1.857 -2.825 1.00 0.25 H new ATOM 0 HA TYR A 56 11.140 0.455 -4.567 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.887 0.784 -1.762 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.687 1.637 -2.713 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.377 0.399 -3.079 1.00 0.32 H new ATOM 0 HD2 TYR A 56 11.207 -0.709 -0.089 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.604 -0.731 -1.812 1.00 0.43 H new ATOM 0 HE2 TYR A 56 9.433 -1.855 1.161 1.00 1.01 H new ATOM 0 HH TYR A 56 7.292 -2.382 1.270 1.00 1.02 H new ATOM 905 N GLU A 57 13.620 0.573 -4.759 1.00 0.33 N ATOM 906 CA GLU A 57 15.069 0.639 -4.900 1.00 0.41 C ATOM 907 C GLU A 57 15.535 2.094 -4.903 1.00 0.36 C ATOM 908 O GLU A 57 14.877 2.965 -5.472 1.00 0.42 O ATOM 909 CB GLU A 57 15.509 -0.065 -6.185 1.00 0.52 C ATOM 910 CG GLU A 57 17.012 -0.278 -6.270 1.00 1.13 C ATOM 911 CD GLU A 57 17.437 -0.957 -7.551 1.00 1.56 C ATOM 912 OE1 GLU A 57 17.680 -0.245 -8.548 1.00 2.33 O ATOM 913 OE2 GLU A 57 17.547 -2.200 -7.565 1.00 1.84 O ATOM 0 H GLU A 57 13.101 1.051 -5.495 1.00 0.33 H new ATOM 0 HA GLU A 57 15.526 0.130 -4.051 1.00 0.41 H new ATOM 0 HB2 GLU A 57 15.008 -1.031 -6.252 1.00 0.52 H new ATOM 0 HB3 GLU A 57 15.183 0.523 -7.043 1.00 0.52 H new ATOM 0 HG2 GLU A 57 17.516 0.685 -6.191 1.00 1.13 H new ATOM 0 HG3 GLU A 57 17.338 -0.879 -5.421 1.00 1.13 H new ATOM 920 N LEU A 58 16.676 2.347 -4.271 1.00 0.41 N ATOM 921 CA LEU A 58 17.178 3.705 -4.096 1.00 0.42 C ATOM 922 C LEU A 58 17.742 4.288 -5.384 1.00 0.43 C ATOM 923 O LEU A 58 18.454 3.618 -6.132 1.00 0.60 O ATOM 924 CB LEU A 58 18.266 3.744 -3.016 1.00 0.62 C ATOM 925 CG LEU A 58 17.883 4.462 -1.717 1.00 0.58 C ATOM 926 CD1 LEU A 58 17.391 5.874 -2.017 1.00 1.24 C ATOM 927 CD2 LEU A 58 16.832 3.664 -0.964 1.00 1.24 C ATOM 0 H LEU A 58 17.274 1.625 -3.869 1.00 0.41 H new ATOM 0 HA LEU A 58 16.325 4.311 -3.792 1.00 0.42 H new ATOM 0 HB2 LEU A 58 18.550 2.720 -2.774 1.00 0.62 H new ATOM 0 HB3 LEU A 58 19.149 4.230 -3.432 1.00 0.62 H new ATOM 0 HG LEU A 58 18.766 4.540 -1.083 1.00 0.58 H new ATOM 0 HD11 LEU A 58 17.123 6.371 -1.085 1.00 1.24 H new ATOM 0 HD12 LEU A 58 18.181 6.437 -2.514 1.00 1.24 H new ATOM 0 HD13 LEU A 58 16.517 5.824 -2.666 1.00 1.24 H new ATOM 0 HD21 LEU A 58 16.569 4.186 -0.044 1.00 1.24 H new ATOM 0 HD22 LEU A 58 15.943 3.555 -1.586 1.00 1.24 H new ATOM 0 HD23 LEU A 58 17.228 2.678 -0.722 1.00 1.24 H new ATOM 939 N GLN A 59 17.405 5.544 -5.625 1.00 0.37 N ATOM 940 CA GLN A 59 18.039 6.337 -6.659 1.00 0.48 C ATOM 941 C GLN A 59 18.920 7.368 -5.966 1.00 0.57 C ATOM 942 O GLN A 59 18.836 7.539 -4.749 1.00 0.58 O ATOM 943 CB GLN A 59 16.970 7.012 -7.522 1.00 0.53 C ATOM 944 CG GLN A 59 17.492 7.862 -8.666 1.00 1.13 C ATOM 945 CD GLN A 59 16.372 8.434 -9.516 1.00 1.75 C ATOM 946 OE1 GLN A 59 15.280 7.692 -9.643 1.00 2.50 O flip ATOM 947 NE2 GLN A 59 16.490 9.533 -10.061 1.00 2.33 N flip ATOM 0 H GLN A 59 16.682 6.042 -5.106 1.00 0.37 H new ATOM 0 HA GLN A 59 18.646 5.716 -7.318 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.320 6.240 -7.934 1.00 0.53 H new ATOM 0 HB3 GLN A 59 16.352 7.639 -6.879 1.00 0.53 H new ATOM 0 HG2 GLN A 59 18.093 8.678 -8.265 1.00 1.13 H new ATOM 0 HG3 GLN A 59 18.150 7.260 -9.293 1.00 1.13 H new ATOM 0 HE21 GLN A 59 17.346 10.074 -9.939 1.00 2.33 H new ATOM 0 HE22 GLN A 59 15.731 9.902 -10.634 1.00 2.33 H new ATOM 956 N GLU A 60 19.744 8.054 -6.742 1.00 0.69 N ATOM 957 CA GLU A 60 20.751 8.969 -6.214 1.00 0.82 C ATOM 958 C GLU A 60 20.151 10.151 -5.451 1.00 0.75 C ATOM 959 O GLU A 60 20.887 10.928 -4.843 1.00 0.89 O ATOM 960 CB GLU A 60 21.602 9.489 -7.363 1.00 1.05 C ATOM 961 CG GLU A 60 20.794 10.232 -8.411 1.00 1.11 C ATOM 962 CD GLU A 60 21.641 10.683 -9.573 1.00 1.47 C ATOM 963 OE1 GLU A 60 22.378 11.678 -9.428 1.00 1.79 O ATOM 964 OE2 GLU A 60 21.561 10.049 -10.645 1.00 1.73 O ATOM 0 H GLU A 60 19.735 7.994 -7.760 1.00 0.69 H new ATOM 0 HA GLU A 60 21.354 8.407 -5.501 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.371 10.153 -6.967 1.00 1.05 H new ATOM 0 HB3 GLU A 60 22.116 8.652 -7.835 1.00 1.05 H new ATOM 0 HG2 GLU A 60 19.995 9.586 -8.776 1.00 1.11 H new ATOM 0 HG3 GLU A 60 20.319 11.099 -7.953 1.00 1.11 H new ATOM 971 N ASP A 61 18.832 10.300 -5.494 1.00 0.64 N ATOM 972 CA ASP A 61 18.168 11.384 -4.780 1.00 0.70 C ATOM 973 C ASP A 61 16.901 10.870 -4.102 1.00 0.54 C ATOM 974 O ASP A 61 15.828 11.424 -4.284 1.00 0.50 O ATOM 975 CB ASP A 61 17.843 12.537 -5.737 1.00 0.92 C ATOM 976 CG ASP A 61 17.362 13.782 -5.011 1.00 1.18 C ATOM 977 OD1 ASP A 61 18.181 14.438 -4.332 1.00 1.41 O ATOM 978 OD2 ASP A 61 16.160 14.100 -5.101 1.00 1.26 O ATOM 0 H ASP A 61 18.204 9.687 -6.013 1.00 0.64 H new ATOM 0 HA ASP A 61 18.842 11.761 -4.011 1.00 0.70 H new ATOM 0 HB2 ASP A 61 18.731 12.781 -6.320 1.00 0.92 H new ATOM 0 HB3 ASP A 61 17.077 12.214 -6.442 1.00 0.92 H new ATOM 983 N ASN A 62 17.057 9.759 -3.373 1.00 0.52 N ATOM 984 CA ASN A 62 15.993 9.100 -2.567 1.00 0.46 C ATOM 985 C ASN A 62 14.649 8.919 -3.291 1.00 0.36 C ATOM 986 O ASN A 62 13.653 8.561 -2.667 1.00 0.41 O ATOM 987 CB ASN A 62 15.778 9.773 -1.192 1.00 0.57 C ATOM 988 CG ASN A 62 15.286 11.213 -1.232 1.00 0.70 C ATOM 989 OD1 ASN A 62 14.472 11.596 -2.071 1.00 1.36 O ATOM 990 ND2 ASN A 62 15.777 12.023 -0.307 1.00 1.35 N ATOM 0 H ASN A 62 17.950 9.270 -3.318 1.00 0.52 H new ATOM 0 HA ASN A 62 16.387 8.097 -2.405 1.00 0.46 H new ATOM 0 HB2 ASN A 62 15.061 9.179 -0.625 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.719 9.745 -0.643 1.00 0.57 H new ATOM 0 HD21 ASN A 62 15.482 12.999 -0.275 1.00 1.35 H new ATOM 0 HD22 ASN A 62 16.451 11.671 0.373 1.00 1.35 H new ATOM 997 N SER A 63 14.613 9.155 -4.591 1.00 0.34 N ATOM 998 CA SER A 63 13.466 8.768 -5.384 1.00 0.30 C ATOM 999 C SER A 63 13.567 7.275 -5.615 1.00 0.29 C ATOM 1000 O SER A 63 14.545 6.807 -6.177 1.00 0.31 O ATOM 1001 CB SER A 63 13.451 9.511 -6.723 1.00 0.35 C ATOM 1002 OG SER A 63 13.644 10.904 -6.543 1.00 0.96 O ATOM 0 H SER A 63 15.361 9.610 -5.114 1.00 0.34 H new ATOM 0 HA SER A 63 12.543 9.022 -4.863 1.00 0.30 H new ATOM 0 HB2 SER A 63 14.233 9.114 -7.370 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.501 9.336 -7.228 1.00 0.35 H new ATOM 0 HG SER A 63 13.631 11.351 -7.415 1.00 0.96 H new ATOM 1008 N TYR A 64 12.600 6.513 -5.174 1.00 0.28 N ATOM 1009 CA TYR A 64 12.733 5.079 -5.277 1.00 0.28 C ATOM 1010 C TYR A 64 12.177 4.609 -6.605 1.00 0.29 C ATOM 1011 O TYR A 64 11.084 5.011 -7.005 1.00 0.30 O ATOM 1012 CB TYR A 64 11.991 4.373 -4.132 1.00 0.28 C ATOM 1013 CG TYR A 64 12.383 4.831 -2.737 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.647 5.344 -2.469 1.00 0.31 C ATOM 1015 CD2 TYR A 64 11.476 4.749 -1.691 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.993 5.763 -1.192 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.813 5.163 -0.416 1.00 0.45 C ATOM 1018 CZ TYR A 64 13.072 5.670 -0.174 1.00 0.42 C ATOM 1019 OH TYR A 64 13.412 6.084 1.094 1.00 0.49 O ATOM 0 H TYR A 64 11.734 6.846 -4.751 1.00 0.28 H new ATOM 0 HA TYR A 64 13.792 4.828 -5.209 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.920 4.529 -4.262 1.00 0.28 H new ATOM 0 HB3 TYR A 64 12.169 3.300 -4.210 1.00 0.28 H new ATOM 0 HD1 TYR A 64 14.371 5.418 -3.267 1.00 0.31 H new ATOM 0 HD2 TYR A 64 10.488 4.354 -1.876 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.979 6.159 -0.999 1.00 0.36 H new ATOM 0 HE2 TYR A 64 11.094 5.090 0.386 1.00 0.45 H new ATOM 0 HH TYR A 64 12.650 5.953 1.696 1.00 0.49 H new ATOM 1029 N ASN A 65 12.937 3.768 -7.289 1.00 0.32 N ATOM 1030 CA ASN A 65 12.433 3.083 -8.461 1.00 0.36 C ATOM 1031 C ASN A 65 11.806 1.802 -7.986 1.00 0.32 C ATOM 1032 O ASN A 65 12.488 0.832 -7.664 1.00 0.37 O ATOM 1033 CB ASN A 65 13.530 2.797 -9.486 1.00 0.48 C ATOM 1034 CG ASN A 65 14.053 4.063 -10.144 1.00 1.24 C ATOM 1035 OD1 ASN A 65 13.319 5.037 -10.325 1.00 2.02 O ATOM 1036 ND2 ASN A 65 15.331 4.067 -10.493 1.00 1.96 N ATOM 0 H ASN A 65 13.903 3.546 -7.050 1.00 0.32 H new ATOM 0 HA ASN A 65 11.707 3.717 -8.970 1.00 0.36 H new ATOM 0 HB2 ASN A 65 14.354 2.278 -8.997 1.00 0.48 H new ATOM 0 HB3 ASN A 65 13.141 2.126 -10.252 1.00 0.48 H new ATOM 0 HD21 ASN A 65 15.738 4.895 -10.927 1.00 1.96 H new ATOM 0 HD22 ASN A 65 15.907 3.242 -10.327 1.00 1.96 H new ATOM 1043 N VAL A 66 10.503 1.825 -7.909 1.00 0.31 N ATOM 1044 CA VAL A 66 9.774 0.802 -7.212 1.00 0.29 C ATOM 1045 C VAL A 66 9.094 -0.131 -8.181 1.00 0.31 C ATOM 1046 O VAL A 66 8.184 0.263 -8.916 1.00 0.37 O ATOM 1047 CB VAL A 66 8.739 1.433 -6.276 1.00 0.37 C ATOM 1048 CG1 VAL A 66 8.303 0.443 -5.214 1.00 0.67 C ATOM 1049 CG2 VAL A 66 9.309 2.693 -5.644 1.00 0.65 C ATOM 0 H VAL A 66 9.919 2.550 -8.326 1.00 0.31 H new ATOM 0 HA VAL A 66 10.483 0.224 -6.620 1.00 0.29 H new ATOM 0 HB VAL A 66 7.859 1.706 -6.858 1.00 0.37 H new ATOM 0 HG11 VAL A 66 7.568 0.911 -4.560 1.00 0.67 H new ATOM 0 HG12 VAL A 66 7.859 -0.431 -5.691 1.00 0.67 H new ATOM 0 HG13 VAL A 66 9.168 0.135 -4.626 1.00 0.67 H new ATOM 0 HG21 VAL A 66 8.566 3.135 -4.980 1.00 0.65 H new ATOM 0 HG22 VAL A 66 10.202 2.441 -5.073 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.568 3.407 -6.426 1.00 0.65 H new ATOM 1059 N THR A 67 9.542 -1.364 -8.171 1.00 0.34 N ATOM 1060 CA THR A 67 8.997 -2.377 -9.038 1.00 0.39 C ATOM 1061 C THR A 67 7.676 -2.863 -8.463 1.00 0.47 C ATOM 1062 O THR A 67 7.655 -3.674 -7.541 1.00 0.71 O ATOM 1063 CB THR A 67 9.971 -3.570 -9.198 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.133 -3.167 -9.932 1.00 0.58 O ATOM 1065 CG2 THR A 67 9.306 -4.754 -9.898 1.00 0.74 C ATOM 0 H THR A 67 10.293 -1.691 -7.563 1.00 0.34 H new ATOM 0 HA THR A 67 8.841 -1.942 -10.025 1.00 0.39 H new ATOM 0 HB THR A 67 10.263 -3.889 -8.198 1.00 0.48 H new ATOM 0 HG1 THR A 67 11.742 -3.929 -10.025 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.022 -5.571 -9.991 1.00 0.74 H new ATOM 0 HG22 THR A 67 8.449 -5.088 -9.313 1.00 0.74 H new ATOM 0 HG23 THR A 67 8.972 -4.449 -10.890 1.00 0.74 H new ATOM 1073 N SER A 68 6.583 -2.322 -8.963 1.00 0.44 N ATOM 1074 CA SER A 68 5.270 -2.744 -8.527 1.00 0.52 C ATOM 1075 C SER A 68 4.679 -3.698 -9.553 1.00 0.53 C ATOM 1076 O SER A 68 4.038 -3.279 -10.513 1.00 0.65 O ATOM 1077 CB SER A 68 4.365 -1.525 -8.346 1.00 0.60 C ATOM 1078 OG SER A 68 4.988 -0.545 -7.527 1.00 1.14 O ATOM 0 H SER A 68 6.580 -1.589 -9.672 1.00 0.44 H new ATOM 0 HA SER A 68 5.351 -3.259 -7.570 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.130 -1.094 -9.319 1.00 0.60 H new ATOM 0 HB3 SER A 68 3.421 -1.832 -7.897 1.00 0.60 H new ATOM 0 HG SER A 68 5.630 -0.032 -8.061 1.00 1.14 H new ATOM 1084 N ILE A 69 4.916 -4.980 -9.363 1.00 0.53 N ATOM 1085 CA ILE A 69 4.397 -5.977 -10.280 1.00 0.53 C ATOM 1086 C ILE A 69 2.918 -6.176 -10.046 1.00 0.60 C ATOM 1087 O ILE A 69 2.435 -6.040 -8.933 1.00 0.74 O ATOM 1088 CB ILE A 69 5.135 -7.335 -10.160 1.00 0.54 C ATOM 1089 CG1 ILE A 69 4.460 -8.382 -11.061 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.193 -7.809 -8.708 1.00 0.57 C ATOM 1091 CD1 ILE A 69 5.035 -9.771 -10.944 1.00 0.78 C ATOM 0 H ILE A 69 5.461 -5.356 -8.587 1.00 0.53 H new ATOM 0 HA ILE A 69 4.567 -5.603 -11.290 1.00 0.53 H new ATOM 0 HB ILE A 69 6.163 -7.200 -10.496 1.00 0.54 H new ATOM 0 HG12 ILE A 69 3.398 -8.421 -10.819 1.00 0.66 H new ATOM 0 HG13 ILE A 69 4.539 -8.056 -12.098 1.00 0.66 H new ATOM 0 HG21 ILE A 69 5.717 -8.764 -8.658 1.00 0.57 H new ATOM 0 HG22 ILE A 69 5.724 -7.072 -8.106 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.180 -7.930 -8.324 1.00 0.57 H new ATOM 0 HD11 ILE A 69 4.500 -10.444 -11.614 1.00 0.78 H new ATOM 0 HD12 ILE A 69 6.090 -9.752 -11.216 1.00 0.78 H new ATOM 0 HD13 ILE A 69 4.931 -10.122 -9.917 1.00 0.78 H new ATOM 1103 N LEU A 70 2.210 -6.446 -11.119 1.00 0.56 N ATOM 1104 CA LEU A 70 0.799 -6.728 -11.060 1.00 0.64 C ATOM 1105 C LEU A 70 0.425 -7.603 -12.224 1.00 0.64 C ATOM 1106 O LEU A 70 1.072 -7.579 -13.272 1.00 0.67 O ATOM 1107 CB LEU A 70 -0.030 -5.430 -11.062 1.00 0.74 C ATOM 1108 CG LEU A 70 0.734 -4.125 -11.368 1.00 0.66 C ATOM 1109 CD1 LEU A 70 1.174 -4.049 -12.826 1.00 0.96 C ATOM 1110 CD2 LEU A 70 -0.118 -2.918 -11.014 1.00 1.18 C ATOM 0 H LEU A 70 2.601 -6.476 -12.061 1.00 0.56 H new ATOM 0 HA LEU A 70 0.579 -7.249 -10.128 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -0.829 -5.537 -11.795 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.504 -5.327 -10.086 1.00 0.74 H new ATOM 0 HG LEU A 70 1.634 -4.123 -10.753 1.00 0.66 H new ATOM 0 HD11 LEU A 70 1.708 -3.114 -12.997 1.00 0.96 H new ATOM 0 HD12 LEU A 70 1.831 -4.889 -13.052 1.00 0.96 H new ATOM 0 HD13 LEU A 70 0.298 -4.090 -13.473 1.00 0.96 H new ATOM 0 HD21 LEU A 70 0.435 -2.005 -11.235 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -1.037 -2.937 -11.600 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -0.364 -2.945 -9.952 1.00 1.18 H new ATOM 1122 N VAL A 71 -0.587 -8.411 -12.018 1.00 0.70 N ATOM 1123 CA VAL A 71 -1.051 -9.292 -13.054 1.00 0.74 C ATOM 1124 C VAL A 71 -1.847 -8.498 -14.072 1.00 0.83 C ATOM 1125 O VAL A 71 -2.703 -7.688 -13.718 1.00 0.99 O ATOM 1126 CB VAL A 71 -1.889 -10.446 -12.485 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -2.266 -11.414 -13.593 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -1.124 -11.145 -11.364 1.00 0.84 C ATOM 0 H VAL A 71 -1.103 -8.474 -11.141 1.00 0.70 H new ATOM 0 HA VAL A 71 -0.184 -9.738 -13.541 1.00 0.74 H new ATOM 0 HB VAL A 71 -2.812 -10.049 -12.062 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -2.860 -12.228 -13.178 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -2.848 -10.890 -14.351 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -1.361 -11.819 -14.046 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.726 -11.962 -10.967 1.00 0.84 H new ATOM 0 HG22 VAL A 71 -0.187 -11.542 -11.755 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.911 -10.431 -10.568 1.00 0.84 H new ATOM 1186 N GLY A 75 -0.595 -11.767 -18.591 1.00 0.97 N ATOM 1187 CA GLY A 75 0.079 -12.533 -17.566 1.00 0.88 C ATOM 1188 C GLY A 75 0.521 -11.662 -16.425 1.00 0.81 C ATOM 1189 O GLY A 75 -0.292 -11.047 -15.755 1.00 0.81 O ATOM 0 HA2 GLY A 75 -0.589 -13.310 -17.194 1.00 0.88 H new ATOM 0 HA3 GLY A 75 0.945 -13.036 -17.997 1.00 0.88 H new ATOM 1193 N CYS A 76 1.810 -11.583 -16.217 1.00 0.79 N ATOM 1194 CA CYS A 76 2.342 -10.740 -15.165 1.00 0.73 C ATOM 1195 C CYS A 76 3.121 -9.604 -15.809 1.00 0.75 C ATOM 1196 O CYS A 76 3.653 -9.764 -16.907 1.00 0.92 O ATOM 1197 CB CYS A 76 3.281 -11.531 -14.245 1.00 0.78 C ATOM 1198 SG CYS A 76 5.026 -11.549 -14.794 1.00 1.26 S ATOM 0 H CYS A 76 2.513 -12.088 -16.757 1.00 0.79 H new ATOM 0 HA CYS A 76 1.516 -10.358 -14.565 1.00 0.73 H new ATOM 0 HB2 CYS A 76 3.231 -11.107 -13.242 1.00 0.78 H new ATOM 0 HB3 CYS A 76 2.923 -12.558 -14.175 1.00 0.78 H new ATOM 1203 N ARG A 77 3.169 -8.459 -15.158 1.00 0.65 N ATOM 1204 CA ARG A 77 4.025 -7.381 -15.618 1.00 0.67 C ATOM 1205 C ARG A 77 4.478 -6.540 -14.444 1.00 0.57 C ATOM 1206 O ARG A 77 3.708 -6.270 -13.524 1.00 0.56 O ATOM 1207 CB ARG A 77 3.315 -6.509 -16.650 1.00 0.79 C ATOM 1208 CG ARG A 77 4.209 -5.445 -17.267 1.00 1.22 C ATOM 1209 CD ARG A 77 3.497 -4.690 -18.377 1.00 1.46 C ATOM 1210 NE ARG A 77 4.333 -3.626 -18.935 1.00 2.14 N ATOM 1211 CZ ARG A 77 4.256 -3.194 -20.194 1.00 2.81 C ATOM 1212 NH1 ARG A 77 3.401 -3.754 -21.042 1.00 3.04 N ATOM 1213 NH2 ARG A 77 5.048 -2.210 -20.609 1.00 3.68 N ATOM 0 H ARG A 77 2.631 -8.251 -14.317 1.00 0.65 H new ATOM 0 HA ARG A 77 4.897 -7.824 -16.099 1.00 0.67 H new ATOM 0 HB2 ARG A 77 2.922 -7.146 -17.443 1.00 0.79 H new ATOM 0 HB3 ARG A 77 2.461 -6.024 -16.178 1.00 0.79 H new ATOM 0 HG2 ARG A 77 4.527 -4.744 -16.495 1.00 1.22 H new ATOM 0 HG3 ARG A 77 5.110 -5.912 -17.664 1.00 1.22 H new ATOM 0 HD2 ARG A 77 3.218 -5.386 -19.168 1.00 1.46 H new ATOM 0 HD3 ARG A 77 2.573 -4.261 -17.990 1.00 1.46 H new ATOM 0 HE ARG A 77 5.019 -3.187 -18.321 1.00 2.14 H new ATOM 0 HH11 ARG A 77 2.800 -4.517 -20.731 1.00 3.04 H new ATOM 0 HH12 ARG A 77 3.345 -3.421 -22.004 1.00 3.04 H new ATOM 0 HH21 ARG A 77 5.715 -1.786 -19.964 1.00 3.68 H new ATOM 0 HH22 ARG A 77 4.989 -1.880 -21.572 1.00 3.68 H new ATOM 1227 N TYR A 78 5.732 -6.146 -14.476 1.00 0.56 N ATOM 1228 CA TYR A 78 6.294 -5.321 -13.428 1.00 0.48 C ATOM 1229 C TYR A 78 6.115 -3.860 -13.790 1.00 0.47 C ATOM 1230 O TYR A 78 6.651 -3.391 -14.793 1.00 0.53 O ATOM 1231 CB TYR A 78 7.778 -5.651 -13.210 1.00 0.47 C ATOM 1232 CG TYR A 78 8.007 -7.088 -12.787 1.00 0.53 C ATOM 1233 CD1 TYR A 78 7.990 -7.451 -11.444 1.00 0.47 C ATOM 1234 CD2 TYR A 78 8.208 -8.089 -13.732 1.00 0.70 C ATOM 1235 CE1 TYR A 78 8.159 -8.766 -11.058 1.00 0.54 C ATOM 1236 CE2 TYR A 78 8.387 -9.405 -13.351 1.00 0.79 C ATOM 1237 CZ TYR A 78 8.358 -9.738 -12.013 1.00 0.70 C ATOM 1238 OH TYR A 78 8.505 -11.051 -11.630 1.00 0.80 O ATOM 0 H TYR A 78 6.386 -6.385 -15.221 1.00 0.56 H new ATOM 0 HA TYR A 78 5.771 -5.525 -12.494 1.00 0.48 H new ATOM 0 HB2 TYR A 78 8.327 -5.457 -14.131 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.185 -4.985 -12.450 1.00 0.47 H new ATOM 0 HD1 TYR A 78 7.842 -6.691 -10.691 1.00 0.47 H new ATOM 0 HD2 TYR A 78 8.224 -7.833 -14.781 1.00 0.70 H new ATOM 0 HE1 TYR A 78 8.135 -9.031 -10.011 1.00 0.54 H new ATOM 0 HE2 TYR A 78 8.549 -10.169 -14.097 1.00 0.79 H new ATOM 0 HH TYR A 78 8.636 -11.611 -12.424 1.00 0.80 H new ATOM 1248 N TRP A 79 5.321 -3.156 -13.007 1.00 0.47 N ATOM 1249 CA TRP A 79 5.107 -1.745 -13.232 1.00 0.51 C ATOM 1250 C TRP A 79 6.033 -0.958 -12.314 1.00 0.46 C ATOM 1251 O TRP A 79 5.791 -0.853 -11.115 1.00 0.45 O ATOM 1252 CB TRP A 79 3.641 -1.393 -12.960 1.00 0.61 C ATOM 1253 CG TRP A 79 3.233 -0.067 -13.526 1.00 0.72 C ATOM 1254 CD1 TRP A 79 3.096 1.108 -12.845 1.00 1.33 C ATOM 1255 CD2 TRP A 79 2.922 0.223 -14.894 1.00 1.44 C ATOM 1256 NE1 TRP A 79 2.715 2.109 -13.703 1.00 1.23 N ATOM 1257 CE2 TRP A 79 2.603 1.592 -14.966 1.00 1.32 C ATOM 1258 CE3 TRP A 79 2.883 -0.540 -16.065 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 2.246 2.211 -16.160 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 2.530 0.078 -17.250 1.00 3.53 C ATOM 1261 CH2 TRP A 79 2.216 1.442 -17.289 1.00 3.20 C ATOM 0 H TRP A 79 4.814 -3.541 -12.210 1.00 0.47 H new ATOM 0 HA TRP A 79 5.329 -1.490 -14.268 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.004 -2.171 -13.381 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.470 -1.389 -11.884 1.00 0.61 H new ATOM 0 HD1 TRP A 79 3.263 1.232 -11.785 1.00 1.33 H new ATOM 0 HE1 TRP A 79 2.543 3.080 -13.442 1.00 1.23 H new ATOM 0 HE3 TRP A 79 3.124 -1.593 -16.044 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 2.001 3.262 -16.193 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 2.496 -0.501 -18.161 1.00 3.53 H new ATOM 0 HH2 TRP A 79 1.945 1.896 -18.231 1.00 3.20 H new ATOM 1272 N ILE A 80 7.096 -0.409 -12.873 1.00 0.46 N ATOM 1273 CA ILE A 80 8.093 0.262 -12.061 1.00 0.42 C ATOM 1274 C ILE A 80 7.847 1.766 -12.063 1.00 0.42 C ATOM 1275 O ILE A 80 7.845 2.411 -13.112 1.00 0.49 O ATOM 1276 CB ILE A 80 9.547 -0.048 -12.516 1.00 0.43 C ATOM 1277 CG1 ILE A 80 9.812 -1.562 -12.549 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.543 0.616 -11.575 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.325 -2.261 -13.800 1.00 0.55 C ATOM 0 H ILE A 80 7.290 -0.414 -13.874 1.00 0.46 H new ATOM 0 HA ILE A 80 7.990 -0.124 -11.047 1.00 0.42 H new ATOM 0 HB ILE A 80 9.670 0.348 -13.524 1.00 0.43 H new ATOM 0 HG12 ILE A 80 10.884 -1.732 -12.448 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.334 -2.020 -11.683 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.558 0.392 -11.903 1.00 0.40 H new ATOM 0 HG22 ILE A 80 10.388 1.695 -11.584 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.397 0.237 -10.564 1.00 0.40 H new ATOM 0 HD11 ILE A 80 9.555 -3.325 -13.735 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.247 -2.127 -13.895 1.00 0.55 H new ATOM 0 HD13 ILE A 80 9.822 -1.835 -14.672 1.00 0.55 H new ATOM 1291 N ARG A 81 7.624 2.306 -10.877 1.00 0.41 N ATOM 1292 CA ARG A 81 7.279 3.709 -10.709 1.00 0.44 C ATOM 1293 C ARG A 81 8.159 4.331 -9.632 1.00 0.35 C ATOM 1294 O ARG A 81 8.986 3.649 -9.039 1.00 0.42 O ATOM 1295 CB ARG A 81 5.799 3.829 -10.335 1.00 0.57 C ATOM 1296 CG ARG A 81 5.397 2.932 -9.179 1.00 1.21 C ATOM 1297 CD ARG A 81 3.891 2.905 -8.988 1.00 1.97 C ATOM 1298 NE ARG A 81 3.482 1.839 -8.075 1.00 2.78 N ATOM 1299 CZ ARG A 81 2.221 1.603 -7.714 1.00 3.79 C ATOM 1300 NH1 ARG A 81 1.231 2.357 -8.177 1.00 4.16 N ATOM 1301 NH2 ARG A 81 1.948 0.600 -6.890 1.00 4.76 N ATOM 0 H ARG A 81 7.677 1.784 -10.002 1.00 0.41 H new ATOM 0 HA ARG A 81 7.449 4.244 -11.644 1.00 0.44 H new ATOM 0 HB2 ARG A 81 5.580 4.865 -10.075 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.190 3.583 -11.205 1.00 0.57 H new ATOM 0 HG2 ARG A 81 5.759 1.920 -9.360 1.00 1.21 H new ATOM 0 HG3 ARG A 81 5.874 3.282 -8.264 1.00 1.21 H new ATOM 0 HD2 ARG A 81 3.556 3.866 -8.599 1.00 1.97 H new ATOM 0 HD3 ARG A 81 3.404 2.765 -9.953 1.00 1.97 H new ATOM 0 HE ARG A 81 4.209 1.237 -7.689 1.00 2.78 H new ATOM 0 HH11 ARG A 81 1.432 3.126 -8.816 1.00 4.16 H new ATOM 0 HH12 ARG A 81 0.270 2.167 -7.894 1.00 4.16 H new ATOM 0 HH21 ARG A 81 2.702 0.012 -6.535 1.00 4.76 H new ATOM 0 HH22 ARG A 81 0.984 0.417 -6.612 1.00 4.76 H new ATOM 1315 N THR A 82 7.973 5.612 -9.371 1.00 0.41 N ATOM 1316 CA THR A 82 8.838 6.323 -8.444 1.00 0.35 C ATOM 1317 C THR A 82 8.109 6.660 -7.147 1.00 0.32 C ATOM 1318 O THR A 82 7.060 7.301 -7.168 1.00 0.36 O ATOM 1319 CB THR A 82 9.376 7.621 -9.087 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.892 7.340 -10.394 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.472 8.257 -8.232 1.00 0.36 C ATOM 0 H THR A 82 7.234 6.180 -9.785 1.00 0.41 H new ATOM 0 HA THR A 82 9.674 5.664 -8.209 1.00 0.35 H new ATOM 0 HB THR A 82 8.548 8.326 -9.159 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.230 8.167 -10.797 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.827 9.168 -8.714 1.00 0.36 H new ATOM 0 HG22 THR A 82 10.071 8.500 -7.248 1.00 0.36 H new ATOM 0 HG23 THR A 82 11.301 7.557 -8.123 1.00 0.36 H new ATOM 1329 N PHE A 83 8.660 6.208 -6.028 1.00 0.27 N ATOM 1330 CA PHE A 83 8.169 6.592 -4.709 1.00 0.26 C ATOM 1331 C PHE A 83 9.179 7.517 -4.068 1.00 0.26 C ATOM 1332 O PHE A 83 10.351 7.181 -3.951 1.00 0.36 O ATOM 1333 CB PHE A 83 7.944 5.375 -3.795 1.00 0.26 C ATOM 1334 CG PHE A 83 6.636 4.649 -3.995 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.421 5.297 -3.835 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.631 3.310 -4.325 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.229 4.612 -4.010 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.453 2.617 -4.499 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.246 3.269 -4.342 1.00 0.42 C ATOM 0 H PHE A 83 9.455 5.569 -6.007 1.00 0.27 H new ATOM 0 HA PHE A 83 7.207 7.088 -4.837 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.760 4.669 -3.951 1.00 0.26 H new ATOM 0 HB3 PHE A 83 8.002 5.705 -2.758 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.403 6.344 -3.572 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.571 2.793 -4.450 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.287 5.126 -3.887 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.474 1.568 -4.757 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.319 2.733 -4.478 1.00 0.42 H new ATOM 1349 N VAL A 84 8.730 8.683 -3.680 1.00 0.24 N ATOM 1350 CA VAL A 84 9.610 9.689 -3.124 1.00 0.24 C ATOM 1351 C VAL A 84 9.115 10.142 -1.759 1.00 0.24 C ATOM 1352 O VAL A 84 7.907 10.237 -1.526 1.00 0.27 O ATOM 1353 CB VAL A 84 9.712 10.913 -4.057 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.517 10.589 -5.305 1.00 0.30 C ATOM 1355 CG2 VAL A 84 8.328 11.393 -4.439 1.00 0.29 C ATOM 0 H VAL A 84 7.751 8.965 -3.738 1.00 0.24 H new ATOM 0 HA VAL A 84 10.597 9.238 -3.020 1.00 0.24 H new ATOM 0 HB VAL A 84 10.230 11.706 -3.518 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.571 11.471 -5.942 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.524 10.285 -5.020 1.00 0.30 H new ATOM 0 HG13 VAL A 84 10.034 9.777 -5.849 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.412 12.257 -5.098 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.795 10.594 -4.955 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.779 11.674 -3.540 1.00 0.29 H new ATOM 1365 N PRO A 85 10.043 10.393 -0.833 1.00 0.35 N ATOM 1366 CA PRO A 85 9.717 10.964 0.465 1.00 0.34 C ATOM 1367 C PRO A 85 9.134 12.358 0.297 1.00 0.38 C ATOM 1368 O PRO A 85 9.776 13.249 -0.261 1.00 0.52 O ATOM 1369 CB PRO A 85 11.062 11.025 1.200 1.00 0.49 C ATOM 1370 CG PRO A 85 11.960 10.107 0.443 1.00 0.78 C ATOM 1371 CD PRO A 85 11.483 10.142 -0.978 1.00 0.56 C ATOM 0 HA PRO A 85 8.974 10.379 1.007 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.458 12.041 1.214 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.959 10.708 2.238 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.998 10.430 0.514 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.913 9.095 0.846 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.975 10.929 -1.550 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.680 9.202 -1.494 1.00 0.56 H new ATOM 1379 N SER A 86 7.907 12.521 0.749 1.00 0.34 N ATOM 1380 CA SER A 86 7.212 13.790 0.655 1.00 0.46 C ATOM 1381 C SER A 86 7.727 14.749 1.729 1.00 0.58 C ATOM 1382 O SER A 86 8.936 14.872 1.939 1.00 0.93 O ATOM 1383 CB SER A 86 5.710 13.576 0.794 1.00 0.53 C ATOM 1384 OG SER A 86 5.379 13.043 2.055 1.00 1.27 O ATOM 0 H SER A 86 7.364 11.779 1.191 1.00 0.34 H new ATOM 0 HA SER A 86 7.405 14.232 -0.322 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.192 14.524 0.651 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.363 12.902 0.011 1.00 0.53 H new ATOM 0 HG SER A 86 5.745 12.137 2.134 1.00 1.27 H new ATOM 1390 N SER A 87 6.806 15.431 2.402 1.00 0.75 N ATOM 1391 CA SER A 87 7.150 16.355 3.475 1.00 0.90 C ATOM 1392 C SER A 87 7.956 15.654 4.572 1.00 0.79 C ATOM 1393 O SER A 87 8.551 16.312 5.425 1.00 0.89 O ATOM 1394 CB SER A 87 5.871 16.961 4.067 1.00 1.12 C ATOM 1395 OG SER A 87 6.156 17.920 5.077 1.00 1.70 O ATOM 0 H SER A 87 5.805 15.359 2.220 1.00 0.75 H new ATOM 0 HA SER A 87 7.769 17.149 3.058 1.00 0.90 H new ATOM 0 HB2 SER A 87 5.291 17.432 3.273 1.00 1.12 H new ATOM 0 HB3 SER A 87 5.253 16.167 4.485 1.00 1.12 H new ATOM 0 HG SER A 87 7.019 17.711 5.492 1.00 1.70 H new ATOM 1401 N ARG A 88 7.975 14.325 4.553 1.00 0.64 N ATOM 1402 CA ARG A 88 8.763 13.570 5.522 1.00 0.58 C ATOM 1403 C ARG A 88 9.008 12.144 5.036 1.00 0.49 C ATOM 1404 O ARG A 88 8.125 11.515 4.456 1.00 0.46 O ATOM 1405 CB ARG A 88 8.060 13.541 6.885 1.00 0.66 C ATOM 1406 CG ARG A 88 6.777 12.728 6.902 1.00 0.75 C ATOM 1407 CD ARG A 88 5.584 13.577 7.294 1.00 1.11 C ATOM 1408 NE ARG A 88 5.750 14.202 8.601 1.00 1.51 N ATOM 1409 CZ ARG A 88 4.941 15.142 9.080 1.00 1.84 C ATOM 1410 NH1 ARG A 88 3.888 15.536 8.373 1.00 1.95 N ATOM 1411 NH2 ARG A 88 5.179 15.668 10.274 1.00 2.59 N ATOM 0 H ARG A 88 7.459 13.753 3.884 1.00 0.64 H new ATOM 0 HA ARG A 88 9.725 14.071 5.630 1.00 0.58 H new ATOM 0 HB2 ARG A 88 8.746 13.133 7.627 1.00 0.66 H new ATOM 0 HB3 ARG A 88 7.834 14.564 7.187 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.607 12.294 5.917 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.880 11.899 7.602 1.00 0.75 H new ATOM 0 HD2 ARG A 88 5.429 14.351 6.542 1.00 1.11 H new ATOM 0 HD3 ARG A 88 4.688 12.957 7.302 1.00 1.11 H new ATOM 0 HE ARG A 88 6.532 13.900 9.182 1.00 1.51 H new ATOM 0 HH11 ARG A 88 3.700 15.117 7.462 1.00 1.95 H new ATOM 0 HH12 ARG A 88 3.268 16.257 8.741 1.00 1.95 H new ATOM 0 HH21 ARG A 88 5.980 15.351 10.820 1.00 2.59 H new ATOM 0 HH22 ARG A 88 4.561 16.389 10.646 1.00 2.59 H new ATOM 1425 N PRO A 89 10.229 11.627 5.245 1.00 0.49 N ATOM 1426 CA PRO A 89 10.563 10.236 4.935 1.00 0.48 C ATOM 1427 C PRO A 89 9.717 9.275 5.763 1.00 0.48 C ATOM 1428 O PRO A 89 9.775 9.282 6.994 1.00 0.62 O ATOM 1429 CB PRO A 89 12.045 10.124 5.308 1.00 0.58 C ATOM 1430 CG PRO A 89 12.543 11.528 5.320 1.00 0.70 C ATOM 1431 CD PRO A 89 11.384 12.359 5.785 1.00 0.56 C ATOM 0 HA PRO A 89 10.371 9.978 3.893 1.00 0.48 H new ATOM 0 HB2 PRO A 89 12.173 9.651 6.282 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.590 9.517 4.585 1.00 0.58 H new ATOM 0 HG2 PRO A 89 13.397 11.636 5.989 1.00 0.70 H new ATOM 0 HG3 PRO A 89 12.874 11.836 4.328 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.347 12.431 6.872 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.435 13.377 5.400 1.00 0.56 H new ATOM 1439 N GLY A 90 8.943 8.452 5.075 1.00 0.41 N ATOM 1440 CA GLY A 90 7.933 7.646 5.723 1.00 0.42 C ATOM 1441 C GLY A 90 6.584 7.899 5.091 1.00 0.38 C ATOM 1442 O GLY A 90 5.852 6.967 4.768 1.00 0.43 O ATOM 0 H GLY A 90 8.999 8.327 4.064 1.00 0.41 H new ATOM 0 HA2 GLY A 90 8.190 6.590 5.640 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.895 7.882 6.787 1.00 0.42 H new ATOM 1446 N GLN A 91 6.273 9.179 4.938 1.00 0.33 N ATOM 1447 CA GLN A 91 5.155 9.629 4.118 1.00 0.31 C ATOM 1448 C GLN A 91 5.614 9.639 2.659 1.00 0.26 C ATOM 1449 O GLN A 91 6.504 10.408 2.284 1.00 0.30 O ATOM 1450 CB GLN A 91 4.730 11.033 4.562 1.00 0.39 C ATOM 1451 CG GLN A 91 3.515 11.583 3.834 1.00 0.61 C ATOM 1452 CD GLN A 91 3.124 12.971 4.318 1.00 0.61 C ATOM 1453 OE1 GLN A 91 3.296 13.308 5.485 1.00 1.11 O ATOM 1454 NE2 GLN A 91 2.620 13.796 3.419 1.00 1.03 N ATOM 0 H GLN A 91 6.791 9.938 5.381 1.00 0.33 H new ATOM 0 HA GLN A 91 4.299 8.963 4.228 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.519 11.014 5.631 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.567 11.716 4.414 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.722 11.620 2.765 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.674 10.903 3.972 1.00 0.61 H new ATOM 0 HE21 GLN A 91 2.490 13.484 2.457 1.00 1.03 H new ATOM 0 HE22 GLN A 91 2.361 14.745 3.687 1.00 1.03 H new ATOM 1463 N PHE A 92 5.044 8.771 1.843 1.00 0.24 N ATOM 1464 CA PHE A 92 5.519 8.608 0.481 1.00 0.24 C ATOM 1465 C PHE A 92 4.528 9.115 -0.535 1.00 0.26 C ATOM 1466 O PHE A 92 3.324 8.891 -0.429 1.00 0.35 O ATOM 1467 CB PHE A 92 5.838 7.149 0.183 1.00 0.31 C ATOM 1468 CG PHE A 92 6.936 6.594 1.030 1.00 0.33 C ATOM 1469 CD1 PHE A 92 8.193 7.177 1.021 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.716 5.488 1.830 1.00 0.42 C ATOM 1471 CE1 PHE A 92 9.210 6.664 1.797 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.728 4.972 2.610 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.976 5.559 2.593 1.00 0.48 C ATOM 0 H PHE A 92 4.258 8.172 2.097 1.00 0.24 H new ATOM 0 HA PHE A 92 6.428 9.205 0.401 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.939 6.551 0.331 1.00 0.31 H new ATOM 0 HB3 PHE A 92 6.116 7.053 -0.867 1.00 0.31 H new ATOM 0 HD1 PHE A 92 8.378 8.041 0.400 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.741 5.024 1.844 1.00 0.42 H new ATOM 0 HE1 PHE A 92 10.187 7.124 1.783 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.544 4.110 3.234 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.771 5.155 3.202 1.00 0.48 H new ATOM 1483 N THR A 93 5.068 9.790 -1.518 1.00 0.23 N ATOM 1484 CA THR A 93 4.324 10.243 -2.663 1.00 0.27 C ATOM 1485 C THR A 93 5.030 9.745 -3.912 1.00 0.26 C ATOM 1486 O THR A 93 6.037 9.041 -3.820 1.00 0.25 O ATOM 1487 CB THR A 93 4.155 11.780 -2.692 1.00 0.35 C ATOM 1488 OG1 THR A 93 3.331 12.169 -3.792 1.00 1.29 O ATOM 1489 CG2 THR A 93 5.495 12.511 -2.754 1.00 0.92 C ATOM 0 H THR A 93 6.055 10.044 -1.544 1.00 0.23 H new ATOM 0 HA THR A 93 3.314 9.837 -2.611 1.00 0.27 H new ATOM 0 HB THR A 93 3.672 12.067 -1.758 1.00 0.35 H new ATOM 0 HG1 THR A 93 2.389 12.028 -3.561 1.00 1.29 H new ATOM 0 HG21 THR A 93 5.322 13.587 -2.772 1.00 0.92 H new ATOM 0 HG22 THR A 93 6.090 12.254 -1.878 1.00 0.92 H new ATOM 0 HG23 THR A 93 6.030 12.214 -3.656 1.00 0.92 H new ATOM 1497 N LEU A 94 4.512 10.082 -5.067 1.00 0.34 N ATOM 1498 CA LEU A 94 5.084 9.567 -6.304 1.00 0.37 C ATOM 1499 C LEU A 94 6.083 10.552 -6.867 1.00 0.34 C ATOM 1500 O LEU A 94 5.875 11.765 -6.838 1.00 0.39 O ATOM 1501 CB LEU A 94 4.019 9.299 -7.379 1.00 0.54 C ATOM 1502 CG LEU A 94 3.099 8.107 -7.142 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.851 6.953 -6.503 1.00 0.88 C ATOM 1504 CD2 LEU A 94 1.905 8.518 -6.311 1.00 0.75 C ATOM 0 H LEU A 94 3.709 10.700 -5.185 1.00 0.34 H new ATOM 0 HA LEU A 94 5.567 8.623 -6.051 1.00 0.37 H new ATOM 0 HB2 LEU A 94 3.402 10.192 -7.478 1.00 0.54 H new ATOM 0 HB3 LEU A 94 4.526 9.154 -8.333 1.00 0.54 H new ATOM 0 HG LEU A 94 2.733 7.759 -8.108 1.00 0.50 H new ATOM 0 HD11 LEU A 94 3.169 6.117 -6.346 1.00 0.88 H new ATOM 0 HD12 LEU A 94 4.663 6.640 -7.159 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.261 7.272 -5.545 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.259 7.655 -6.151 1.00 0.75 H new ATOM 0 HD22 LEU A 94 2.246 8.899 -5.348 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.349 9.296 -6.833 1.00 0.75 H new ATOM 1516 N GLY A 95 7.182 9.987 -7.368 1.00 0.32 N ATOM 1517 CA GLY A 95 8.280 10.762 -7.916 1.00 0.34 C ATOM 1518 C GLY A 95 7.821 11.774 -8.949 1.00 0.46 C ATOM 1519 O GLY A 95 8.469 12.795 -9.163 1.00 0.88 O ATOM 0 H GLY A 95 7.330 8.978 -7.402 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.793 11.282 -7.107 1.00 0.34 H new ATOM 0 HA3 GLY A 95 9.005 10.087 -8.371 1.00 0.34 H new ATOM 1523 N ASN A 96 6.693 11.474 -9.587 1.00 0.57 N ATOM 1524 CA ASN A 96 6.092 12.363 -10.570 1.00 0.71 C ATOM 1525 C ASN A 96 4.582 12.438 -10.343 1.00 0.61 C ATOM 1526 O ASN A 96 3.805 12.487 -11.294 1.00 0.66 O ATOM 1527 CB ASN A 96 6.387 11.879 -11.999 1.00 0.98 C ATOM 1528 CG ASN A 96 7.864 11.949 -12.357 1.00 1.89 C ATOM 1529 OD1 ASN A 96 8.350 12.973 -12.838 1.00 2.72 O ATOM 1530 ND2 ASN A 96 8.585 10.854 -12.144 1.00 2.42 N ATOM 0 H ASN A 96 6.173 10.610 -9.436 1.00 0.57 H new ATOM 0 HA ASN A 96 6.526 13.356 -10.450 1.00 0.71 H new ATOM 0 HB2 ASN A 96 6.041 10.851 -12.107 1.00 0.98 H new ATOM 0 HB3 ASN A 96 5.818 12.483 -12.706 1.00 0.98 H new ATOM 0 HD21 ASN A 96 9.577 10.843 -12.381 1.00 2.42 H new ATOM 0 HD22 ASN A 96 8.147 10.025 -11.744 1.00 2.42 H new ATOM 1537 N ILE A 97 4.171 12.446 -9.071 1.00 0.55 N ATOM 1538 CA ILE A 97 2.747 12.474 -8.712 1.00 0.57 C ATOM 1539 C ILE A 97 2.078 13.746 -9.214 1.00 0.74 C ATOM 1540 O ILE A 97 0.918 13.737 -9.620 1.00 0.88 O ATOM 1541 CB ILE A 97 2.525 12.386 -7.179 1.00 0.54 C ATOM 1542 CG1 ILE A 97 1.023 12.373 -6.844 1.00 0.68 C ATOM 1543 CG2 ILE A 97 3.225 13.547 -6.472 1.00 0.60 C ATOM 1544 CD1 ILE A 97 0.305 11.147 -7.360 1.00 1.20 C ATOM 0 H ILE A 97 4.804 12.433 -8.271 1.00 0.55 H new ATOM 0 HA ILE A 97 2.302 11.600 -9.188 1.00 0.57 H new ATOM 0 HB ILE A 97 2.959 11.452 -6.823 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.899 12.430 -5.763 1.00 0.68 H new ATOM 0 HG13 ILE A 97 0.556 13.263 -7.266 1.00 0.68 H new ATOM 0 HG21 ILE A 97 3.060 13.471 -5.397 1.00 0.60 H new ATOM 0 HG22 ILE A 97 4.295 13.507 -6.679 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.820 14.492 -6.836 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -0.749 11.202 -7.089 1.00 1.20 H new ATOM 0 HD12 ILE A 97 0.399 11.100 -8.445 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.747 10.254 -6.918 1.00 1.20 H new ATOM 1556 N HIS A 98 2.826 14.836 -9.206 1.00 0.85 N ATOM 1557 CA HIS A 98 2.265 16.138 -9.503 1.00 1.12 C ATOM 1558 C HIS A 98 2.145 16.336 -11.010 1.00 1.14 C ATOM 1559 O HIS A 98 1.763 17.401 -11.485 1.00 1.38 O ATOM 1560 CB HIS A 98 3.129 17.218 -8.865 1.00 1.38 C ATOM 1561 CG HIS A 98 2.363 18.435 -8.451 1.00 2.01 C ATOM 1562 ND1 HIS A 98 2.263 19.571 -9.224 1.00 2.88 N ATOM 1563 CD2 HIS A 98 1.663 18.692 -7.320 1.00 2.69 C ATOM 1564 CE1 HIS A 98 1.538 20.472 -8.588 1.00 3.63 C ATOM 1565 NE2 HIS A 98 1.162 19.963 -7.432 1.00 3.56 N ATOM 0 H HIS A 98 3.824 14.843 -8.997 1.00 0.85 H new ATOM 0 HA HIS A 98 1.261 16.207 -9.085 1.00 1.12 H new ATOM 0 HB2 HIS A 98 3.631 16.801 -7.992 1.00 1.38 H new ATOM 0 HB3 HIS A 98 3.907 17.512 -9.570 1.00 1.38 H new ATOM 0 HD2 HIS A 98 1.525 18.020 -6.485 1.00 2.69 H new ATOM 0 HE1 HIS A 98 1.294 21.459 -8.953 1.00 3.63 H new ATOM 0 HE2 HIS A 98 0.590 20.438 -6.733 1.00 3.56 H new ATOM 1574 N SER A 99 2.481 15.288 -11.750 1.00 0.99 N ATOM 1575 CA SER A 99 2.260 15.252 -13.183 1.00 1.16 C ATOM 1576 C SER A 99 0.839 14.760 -13.455 1.00 1.22 C ATOM 1577 O SER A 99 0.311 14.883 -14.562 1.00 1.30 O ATOM 1578 CB SER A 99 3.291 14.332 -13.849 1.00 1.24 C ATOM 1579 OG SER A 99 3.153 14.321 -15.259 1.00 1.79 O ATOM 0 H SER A 99 2.912 14.444 -11.373 1.00 0.99 H new ATOM 0 HA SER A 99 2.377 16.251 -13.602 1.00 1.16 H new ATOM 0 HB2 SER A 99 4.296 14.661 -13.585 1.00 1.24 H new ATOM 0 HB3 SER A 99 3.176 13.319 -13.465 1.00 1.24 H new ATOM 0 HG SER A 99 3.827 13.726 -15.649 1.00 1.79 H new ATOM 1585 N TYR A 100 0.224 14.211 -12.415 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.139 13.717 -12.492 1.00 1.30 C ATOM 1587 C TYR A 100 -2.114 14.804 -12.048 1.00 1.17 C ATOM 1588 O TYR A 100 -2.004 15.349 -10.950 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.305 12.464 -11.634 1.00 1.63 C ATOM 1590 CG TYR A 100 -0.440 11.293 -12.056 1.00 2.74 C ATOM 1591 CD1 TYR A 100 0.843 11.129 -11.551 1.00 2.85 C ATOM 1592 CD2 TYR A 100 -0.918 10.344 -12.950 1.00 3.75 C ATOM 1593 CE1 TYR A 100 1.626 10.054 -11.927 1.00 3.91 C ATOM 1594 CE2 TYR A 100 -0.140 9.266 -13.331 1.00 4.83 C ATOM 1595 CZ TYR A 100 1.130 9.127 -12.817 1.00 4.89 C ATOM 1596 OH TYR A 100 1.906 8.051 -13.192 1.00 5.98 O ATOM 0 H TYR A 100 0.657 14.097 -11.499 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.358 13.452 -13.526 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.074 12.715 -10.599 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -2.350 12.156 -11.662 1.00 1.63 H new ATOM 0 HD1 TYR A 100 1.236 11.853 -10.853 1.00 2.85 H new ATOM 0 HD2 TYR A 100 -1.914 10.450 -13.354 1.00 3.75 H new ATOM 0 HE1 TYR A 100 2.622 9.941 -11.525 1.00 3.91 H new ATOM 0 HE2 TYR A 100 -0.526 8.537 -14.028 1.00 4.83 H new ATOM 0 HH TYR A 100 1.407 7.492 -13.824 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.082 15.119 -12.915 1.00 1.09 N ATOM 1607 CA PRO A 101 -3.985 16.264 -12.742 1.00 1.04 C ATOM 1608 C PRO A 101 -5.107 16.025 -11.729 1.00 0.89 C ATOM 1609 O PRO A 101 -5.373 16.868 -10.873 1.00 0.94 O ATOM 1610 CB PRO A 101 -4.562 16.448 -14.145 1.00 1.19 C ATOM 1611 CG PRO A 101 -4.553 15.081 -14.745 1.00 1.28 C ATOM 1612 CD PRO A 101 -3.382 14.355 -14.135 1.00 1.21 C ATOM 0 HA PRO A 101 -3.458 17.131 -12.344 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -5.572 16.856 -14.107 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -3.960 17.141 -14.732 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -5.486 14.559 -14.534 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -4.455 15.134 -15.829 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -3.631 13.319 -13.905 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -2.529 14.335 -14.813 1.00 1.21 H new ATOM 1620 N GLN A 102 -5.766 14.877 -11.840 1.00 0.82 N ATOM 1621 CA GLN A 102 -6.933 14.566 -11.018 1.00 0.74 C ATOM 1622 C GLN A 102 -6.535 14.298 -9.571 1.00 0.63 C ATOM 1623 O GLN A 102 -7.342 14.450 -8.650 1.00 0.59 O ATOM 1624 CB GLN A 102 -7.651 13.342 -11.592 1.00 0.83 C ATOM 1625 CG GLN A 102 -8.909 12.952 -10.835 1.00 0.98 C ATOM 1626 CD GLN A 102 -9.507 11.647 -11.330 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -10.147 10.914 -10.576 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -9.302 11.345 -12.601 1.00 1.73 N ATOM 0 H GLN A 102 -5.510 14.140 -12.497 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.601 15.428 -11.031 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -7.912 13.541 -12.631 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -6.963 12.497 -11.592 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -8.677 12.862 -9.774 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -9.649 13.747 -10.933 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -8.766 11.978 -13.196 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -9.680 10.480 -12.987 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.287 13.902 -9.385 1.00 0.60 N ATOM 1638 CA ILE A 103 -4.791 13.500 -8.081 1.00 0.51 C ATOM 1639 C ILE A 103 -4.703 14.701 -7.146 1.00 0.52 C ATOM 1640 O ILE A 103 -3.814 15.547 -7.265 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.410 12.792 -8.186 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -3.549 11.407 -8.846 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -2.767 12.650 -6.804 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.031 11.427 -10.287 1.00 1.10 C ATOM 0 H ILE A 103 -4.593 13.850 -10.130 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.501 12.784 -7.667 1.00 0.51 H new ATOM 0 HB ILE A 103 -2.766 13.411 -8.811 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -2.582 10.905 -8.809 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -4.242 10.808 -8.255 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -1.802 12.152 -6.901 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -2.623 13.638 -6.366 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.417 12.059 -6.159 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -4.097 10.406 -10.663 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.014 11.895 -10.335 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -3.329 11.994 -10.898 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.659 14.753 -6.228 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.738 15.794 -5.212 1.00 0.48 C ATOM 1658 C GLN A 104 -4.461 15.788 -4.385 1.00 0.50 C ATOM 1659 O GLN A 104 -3.840 16.824 -4.151 1.00 0.63 O ATOM 1660 CB GLN A 104 -6.948 15.520 -4.311 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.171 15.063 -5.086 1.00 0.43 C ATOM 1662 CD GLN A 104 -8.965 16.218 -5.664 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.865 16.746 -5.013 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -8.645 16.618 -6.884 1.00 0.98 N ATOM 0 H GLN A 104 -6.410 14.066 -6.167 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.852 16.770 -5.684 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.683 14.758 -3.578 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.193 16.425 -3.756 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -7.857 14.403 -5.895 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -8.815 14.478 -4.429 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -7.892 16.154 -7.392 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.152 17.390 -7.317 1.00 0.98 H new ATOM 1673 N SER A 105 -4.082 14.591 -3.971 1.00 0.40 N ATOM 1674 CA SER A 105 -2.850 14.362 -3.248 1.00 0.41 C ATOM 1675 C SER A 105 -2.594 12.868 -3.193 1.00 0.36 C ATOM 1676 O SER A 105 -3.521 12.072 -3.367 1.00 0.39 O ATOM 1677 CB SER A 105 -2.935 14.950 -1.837 1.00 0.48 C ATOM 1678 OG SER A 105 -4.111 14.516 -1.167 1.00 1.13 O ATOM 0 H SER A 105 -4.629 13.745 -4.131 1.00 0.40 H new ATOM 0 HA SER A 105 -2.025 14.857 -3.760 1.00 0.41 H new ATOM 0 HB2 SER A 105 -2.057 14.654 -1.264 1.00 0.48 H new ATOM 0 HB3 SER A 105 -2.926 16.039 -1.893 1.00 0.48 H new ATOM 0 HG SER A 105 -4.534 13.797 -1.681 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.351 12.486 -2.992 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.023 11.086 -2.814 1.00 0.34 C ATOM 1686 C TYR A 106 0.081 10.949 -1.784 1.00 0.36 C ATOM 1687 O TYR A 106 1.225 11.322 -2.042 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.587 10.424 -4.125 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.450 8.921 -3.981 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.702 8.362 -3.437 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.477 8.067 -4.354 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.826 6.999 -3.273 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.357 6.698 -4.197 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.205 6.171 -3.657 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.083 4.812 -3.491 1.00 0.52 O ATOM 0 H TYR A 106 -0.554 13.121 -2.948 1.00 0.35 H new ATOM 0 HA TYR A 106 -1.924 10.577 -2.471 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.314 10.649 -4.905 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.365 10.846 -4.446 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.514 9.008 -3.138 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.384 8.477 -4.773 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.726 6.583 -2.846 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.163 6.045 -4.497 1.00 0.43 H new ATOM 0 HH TYR A 106 0.411 4.626 -2.665 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.271 10.414 -0.628 1.00 0.34 N ATOM 1706 CA ASP A 107 0.683 10.234 0.455 1.00 0.36 C ATOM 1707 C ASP A 107 0.383 8.954 1.211 1.00 0.38 C ATOM 1708 O ASP A 107 -0.774 8.655 1.511 1.00 0.46 O ATOM 1709 CB ASP A 107 0.661 11.425 1.417 1.00 0.48 C ATOM 1710 CG ASP A 107 1.345 12.656 0.850 1.00 1.27 C ATOM 1711 OD1 ASP A 107 2.582 12.767 0.985 1.00 2.25 O ATOM 1712 OD2 ASP A 107 0.644 13.530 0.297 1.00 1.31 O ATOM 0 H ASP A 107 -1.216 10.095 -0.414 1.00 0.34 H new ATOM 0 HA ASP A 107 1.679 10.168 0.017 1.00 0.36 H new ATOM 0 HB2 ASP A 107 -0.373 11.670 1.660 1.00 0.48 H new ATOM 0 HB3 ASP A 107 1.149 11.141 2.349 1.00 0.48 H new ATOM 1717 N VAL A 108 1.421 8.189 1.495 1.00 0.38 N ATOM 1718 CA VAL A 108 1.272 6.948 2.234 1.00 0.44 C ATOM 1719 C VAL A 108 2.277 6.897 3.381 1.00 0.47 C ATOM 1720 O VAL A 108 3.429 7.269 3.211 1.00 0.58 O ATOM 1721 CB VAL A 108 1.453 5.709 1.311 1.00 0.48 C ATOM 1722 CG1 VAL A 108 0.718 5.908 -0.005 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.920 5.402 1.043 1.00 0.70 C ATOM 0 H VAL A 108 2.380 8.406 1.224 1.00 0.38 H new ATOM 0 HA VAL A 108 0.260 6.919 2.638 1.00 0.44 H new ATOM 0 HB VAL A 108 1.025 4.856 1.838 1.00 0.48 H new ATOM 0 HG11 VAL A 108 0.857 5.030 -0.636 1.00 0.68 H new ATOM 0 HG12 VAL A 108 -0.345 6.050 0.190 1.00 0.68 H new ATOM 0 HG13 VAL A 108 1.114 6.787 -0.514 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.997 4.529 0.394 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.388 6.258 0.557 1.00 0.70 H new ATOM 0 HG23 VAL A 108 3.427 5.199 1.986 1.00 0.70 H new ATOM 1733 N GLN A 109 1.844 6.474 4.557 1.00 0.44 N ATOM 1734 CA GLN A 109 2.770 6.291 5.668 1.00 0.50 C ATOM 1735 C GLN A 109 2.672 4.886 6.211 1.00 0.30 C ATOM 1736 O GLN A 109 1.579 4.365 6.430 1.00 0.29 O ATOM 1737 CB GLN A 109 2.532 7.274 6.816 1.00 0.85 C ATOM 1738 CG GLN A 109 2.858 8.718 6.495 1.00 0.92 C ATOM 1739 CD GLN A 109 3.311 9.502 7.716 1.00 2.08 C ATOM 1740 OE1 GLN A 109 4.089 10.447 7.604 1.00 2.86 O ATOM 1741 NE2 GLN A 109 2.836 9.114 8.888 1.00 2.81 N ATOM 0 H GLN A 109 0.871 6.253 4.768 1.00 0.44 H new ATOM 0 HA GLN A 109 3.764 6.480 5.264 1.00 0.50 H new ATOM 0 HB2 GLN A 109 1.487 7.211 7.119 1.00 0.85 H new ATOM 0 HB3 GLN A 109 3.131 6.963 7.672 1.00 0.85 H new ATOM 0 HG2 GLN A 109 3.641 8.750 5.737 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.979 9.198 6.066 1.00 0.92 H new ATOM 0 HE21 GLN A 109 2.192 8.325 8.941 1.00 2.81 H new ATOM 0 HE22 GLN A 109 3.114 9.604 9.738 1.00 2.81 H new ATOM 1750 N VAL A 110 3.819 4.273 6.412 1.00 0.33 N ATOM 1751 CA VAL A 110 3.875 2.970 7.035 1.00 0.27 C ATOM 1752 C VAL A 110 4.093 3.144 8.540 1.00 0.30 C ATOM 1753 O VAL A 110 5.059 3.776 8.972 1.00 0.41 O ATOM 1754 CB VAL A 110 4.994 2.098 6.408 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.345 2.774 6.500 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.055 0.729 7.062 1.00 0.77 C ATOM 0 H VAL A 110 4.727 4.658 6.152 1.00 0.33 H new ATOM 0 HA VAL A 110 2.931 2.452 6.866 1.00 0.27 H new ATOM 0 HB VAL A 110 4.745 1.972 5.354 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.104 2.133 6.051 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.313 3.725 5.969 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.593 2.951 7.547 1.00 0.76 H new ATOM 0 HG21 VAL A 110 5.849 0.141 6.601 1.00 0.77 H new ATOM 0 HG22 VAL A 110 5.259 0.843 8.127 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.101 0.219 6.928 1.00 0.77 H new ATOM 1766 N ALA A 111 3.164 2.612 9.327 1.00 0.29 N ATOM 1767 CA ALA A 111 3.184 2.778 10.775 1.00 0.36 C ATOM 1768 C ALA A 111 4.376 2.066 11.393 1.00 0.37 C ATOM 1769 O ALA A 111 4.981 2.557 12.348 1.00 0.44 O ATOM 1770 CB ALA A 111 1.890 2.260 11.379 1.00 0.42 C ATOM 0 H ALA A 111 2.381 2.057 8.982 1.00 0.29 H new ATOM 0 HA ALA A 111 3.278 3.842 10.993 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.916 2.389 12.461 1.00 0.42 H new ATOM 0 HB2 ALA A 111 1.048 2.817 10.967 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.776 1.202 11.143 1.00 0.42 H new ATOM 1776 N ASP A 112 4.698 0.905 10.848 1.00 0.35 N ATOM 1777 CA ASP A 112 5.858 0.141 11.282 1.00 0.46 C ATOM 1778 C ASP A 112 6.385 -0.667 10.107 1.00 0.37 C ATOM 1779 O ASP A 112 5.628 -1.345 9.420 1.00 0.35 O ATOM 1780 CB ASP A 112 5.517 -0.773 12.472 1.00 0.67 C ATOM 1781 CG ASP A 112 4.579 -1.911 12.116 1.00 1.36 C ATOM 1782 OD1 ASP A 112 3.504 -1.636 11.541 1.00 2.20 O ATOM 1783 OD2 ASP A 112 4.915 -3.077 12.408 1.00 1.88 O ATOM 0 H ASP A 112 4.167 0.466 10.096 1.00 0.35 H new ATOM 0 HA ASP A 112 6.630 0.831 11.624 1.00 0.46 H new ATOM 0 HB2 ASP A 112 6.440 -1.188 12.877 1.00 0.67 H new ATOM 0 HB3 ASP A 112 5.064 -0.173 13.261 1.00 0.67 H new ATOM 1788 N THR A 113 7.667 -0.537 9.831 1.00 0.37 N ATOM 1789 CA THR A 113 8.252 -1.175 8.667 1.00 0.36 C ATOM 1790 C THR A 113 9.584 -1.843 9.006 1.00 0.44 C ATOM 1791 O THR A 113 10.506 -1.197 9.505 1.00 0.55 O ATOM 1792 CB THR A 113 8.428 -0.143 7.523 1.00 0.37 C ATOM 1793 OG1 THR A 113 9.112 -0.739 6.412 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.200 1.089 8.008 1.00 0.51 C ATOM 0 H THR A 113 8.323 0.003 10.395 1.00 0.37 H new ATOM 0 HA THR A 113 7.571 -1.957 8.332 1.00 0.36 H new ATOM 0 HB THR A 113 7.436 0.174 7.203 1.00 0.37 H new ATOM 0 HG1 THR A 113 9.058 -0.142 5.636 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.309 1.797 7.186 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.654 1.562 8.824 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.186 0.785 8.359 1.00 0.51 H new ATOM 1802 N ASP A 114 9.673 -3.146 8.765 1.00 0.43 N ATOM 1803 CA ASP A 114 10.928 -3.862 8.949 1.00 0.57 C ATOM 1804 C ASP A 114 11.130 -4.895 7.841 1.00 0.64 C ATOM 1805 O ASP A 114 10.193 -5.226 7.119 1.00 0.61 O ATOM 1806 CB ASP A 114 10.984 -4.531 10.322 1.00 0.60 C ATOM 1807 CG ASP A 114 12.337 -5.154 10.595 1.00 1.24 C ATOM 1808 OD1 ASP A 114 13.287 -4.412 10.913 1.00 1.17 O ATOM 1809 OD2 ASP A 114 12.439 -6.397 10.531 1.00 2.10 O ATOM 0 H ASP A 114 8.896 -3.724 8.444 1.00 0.43 H new ATOM 0 HA ASP A 114 11.738 -3.135 8.894 1.00 0.57 H new ATOM 0 HB2 ASP A 114 10.762 -3.794 11.094 1.00 0.60 H new ATOM 0 HB3 ASP A 114 10.213 -5.299 10.383 1.00 0.60 H new ATOM 1814 N TYR A 115 12.370 -5.371 7.694 1.00 0.84 N ATOM 1815 CA TYR A 115 12.717 -6.334 6.652 1.00 0.99 C ATOM 1816 C TYR A 115 12.235 -7.735 7.001 1.00 0.90 C ATOM 1817 O TYR A 115 11.750 -8.456 6.141 1.00 1.07 O ATOM 1818 CB TYR A 115 14.234 -6.338 6.393 1.00 1.25 C ATOM 1819 CG TYR A 115 15.059 -5.945 7.601 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.170 -6.795 8.693 1.00 1.67 C ATOM 1821 CD2 TYR A 115 15.750 -4.742 7.638 1.00 1.77 C ATOM 1822 CE1 TYR A 115 15.943 -6.459 9.787 1.00 2.05 C ATOM 1823 CE2 TYR A 115 16.529 -4.401 8.724 1.00 2.16 C ATOM 1824 CZ TYR A 115 16.525 -5.184 9.835 1.00 2.26 C ATOM 1825 OH TYR A 115 17.408 -4.935 10.874 1.00 2.75 O ATOM 0 H TYR A 115 13.153 -5.101 8.289 1.00 0.84 H new ATOM 0 HA TYR A 115 12.208 -6.023 5.739 1.00 0.99 H new ATOM 0 HB2 TYR A 115 14.535 -7.333 6.067 1.00 1.25 H new ATOM 0 HB3 TYR A 115 14.456 -5.653 5.574 1.00 1.25 H new ATOM 0 HD1 TYR A 115 14.642 -7.737 8.687 1.00 1.67 H new ATOM 0 HD2 TYR A 115 15.677 -4.062 6.803 1.00 1.77 H new ATOM 0 HE1 TYR A 115 16.096 -7.165 10.590 1.00 2.05 H new ATOM 0 HE2 TYR A 115 17.142 -3.512 8.692 1.00 2.16 H new ATOM 0 HH TYR A 115 17.748 -4.019 10.802 1.00 2.75 H new ATOM 1835 N ASP A 116 12.376 -8.116 8.264 1.00 0.77 N ATOM 1836 CA ASP A 116 12.016 -9.460 8.703 1.00 0.74 C ATOM 1837 C ASP A 116 10.652 -9.415 9.364 1.00 0.64 C ATOM 1838 O ASP A 116 9.817 -10.307 9.189 1.00 0.66 O ATOM 1839 CB ASP A 116 13.067 -9.992 9.676 1.00 0.82 C ATOM 1840 CG ASP A 116 12.860 -11.451 10.018 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.340 -12.319 9.261 1.00 1.46 O ATOM 1842 OD2 ASP A 116 12.199 -11.737 11.038 1.00 1.40 O ATOM 0 H ASP A 116 12.737 -7.514 9.004 1.00 0.77 H new ATOM 0 HA ASP A 116 11.977 -10.130 7.844 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.058 -9.862 9.241 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.041 -9.401 10.592 1.00 0.82 H new ATOM 1847 N GLN A 117 10.449 -8.357 10.129 1.00 0.59 N ATOM 1848 CA GLN A 117 9.143 -8.004 10.648 1.00 0.50 C ATOM 1849 C GLN A 117 8.290 -7.486 9.502 1.00 0.37 C ATOM 1850 O GLN A 117 8.761 -7.373 8.370 1.00 0.39 O ATOM 1851 CB GLN A 117 9.259 -6.959 11.758 1.00 0.56 C ATOM 1852 CG GLN A 117 10.052 -7.436 12.963 1.00 1.22 C ATOM 1853 CD GLN A 117 9.403 -8.617 13.653 1.00 1.68 C ATOM 1854 OE1 GLN A 117 9.662 -9.769 13.316 1.00 2.16 O ATOM 1855 NE2 GLN A 117 8.557 -8.337 14.628 1.00 2.51 N ATOM 0 H GLN A 117 11.191 -7.716 10.408 1.00 0.59 H new ATOM 0 HA GLN A 117 8.673 -8.886 11.084 1.00 0.50 H new ATOM 0 HB2 GLN A 117 9.731 -6.063 11.354 1.00 0.56 H new ATOM 0 HB3 GLN A 117 8.258 -6.673 12.082 1.00 0.56 H new ATOM 0 HG2 GLN A 117 11.058 -7.712 12.646 1.00 1.22 H new ATOM 0 HG3 GLN A 117 10.156 -6.616 13.674 1.00 1.22 H new ATOM 0 HE21 GLN A 117 8.369 -7.366 14.877 1.00 2.51 H new ATOM 0 HE22 GLN A 117 8.091 -9.092 15.132 1.00 2.51 H new ATOM 1864 N PHE A 118 7.042 -7.183 9.776 1.00 0.30 N ATOM 1865 CA PHE A 118 6.112 -6.837 8.718 1.00 0.25 C ATOM 1866 C PHE A 118 5.939 -5.325 8.656 1.00 0.26 C ATOM 1867 O PHE A 118 6.588 -4.590 9.402 1.00 0.40 O ATOM 1868 CB PHE A 118 4.762 -7.517 8.963 1.00 0.31 C ATOM 1869 CG PHE A 118 3.990 -6.986 10.140 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.581 -6.818 11.383 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.666 -6.645 9.985 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.855 -6.320 12.448 1.00 0.41 C ATOM 1873 CE2 PHE A 118 1.932 -6.144 11.044 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.529 -5.982 12.279 1.00 0.42 C ATOM 0 H PHE A 118 6.646 -7.168 10.716 1.00 0.30 H new ATOM 0 HA PHE A 118 6.510 -7.185 7.765 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.150 -7.410 8.067 1.00 0.31 H new ATOM 0 HB3 PHE A 118 4.930 -8.584 9.109 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.620 -7.079 11.520 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.193 -6.771 9.022 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.326 -6.196 13.412 1.00 0.41 H new ATOM 0 HE2 PHE A 118 0.894 -5.880 10.906 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.959 -5.592 13.109 1.00 0.42 H new ATOM 1884 N ALA A 119 5.097 -4.861 7.753 1.00 0.23 N ATOM 1885 CA ALA A 119 4.931 -3.430 7.549 1.00 0.23 C ATOM 1886 C ALA A 119 3.480 -3.062 7.271 1.00 0.21 C ATOM 1887 O ALA A 119 2.848 -3.614 6.369 1.00 0.28 O ATOM 1888 CB ALA A 119 5.833 -2.951 6.419 1.00 0.25 C ATOM 0 H ALA A 119 4.519 -5.448 7.151 1.00 0.23 H new ATOM 0 HA ALA A 119 5.221 -2.927 8.472 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.699 -1.879 6.276 1.00 0.25 H new ATOM 0 HB2 ALA A 119 6.873 -3.157 6.672 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.573 -3.475 5.499 1.00 0.25 H new ATOM 1894 N MET A 120 2.965 -2.118 8.041 1.00 0.19 N ATOM 1895 CA MET A 120 1.580 -1.669 7.905 1.00 0.21 C ATOM 1896 C MET A 120 1.528 -0.260 7.326 1.00 0.22 C ATOM 1897 O MET A 120 1.861 0.705 8.008 1.00 0.25 O ATOM 1898 CB MET A 120 0.890 -1.696 9.267 1.00 0.27 C ATOM 1899 CG MET A 120 -0.038 -2.890 9.472 1.00 0.48 C ATOM 1900 SD MET A 120 -0.779 -2.921 11.118 1.00 0.63 S ATOM 1901 CE MET A 120 0.690 -2.896 12.140 1.00 1.47 C ATOM 0 H MET A 120 3.488 -1.641 8.775 1.00 0.19 H new ATOM 0 HA MET A 120 1.061 -2.344 7.224 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.651 -1.703 10.048 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.316 -0.778 9.390 1.00 0.27 H new ATOM 0 HG2 MET A 120 -0.829 -2.863 8.722 1.00 0.48 H new ATOM 0 HG3 MET A 120 0.522 -3.812 9.312 1.00 0.48 H new ATOM 0 HE1 MET A 120 0.510 -3.468 13.050 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.522 -3.339 11.592 1.00 1.47 H new ATOM 0 HE3 MET A 120 0.934 -1.866 12.401 1.00 1.47 H new ATOM 1911 N VAL A 121 1.104 -0.137 6.076 1.00 0.25 N ATOM 1912 CA VAL A 121 1.150 1.152 5.391 1.00 0.26 C ATOM 1913 C VAL A 121 -0.248 1.655 5.047 1.00 0.29 C ATOM 1914 O VAL A 121 -1.039 0.928 4.469 1.00 0.39 O ATOM 1915 CB VAL A 121 1.945 1.076 4.072 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.464 2.455 3.708 1.00 0.34 C ATOM 1917 CG2 VAL A 121 3.090 0.078 4.160 1.00 0.28 C ATOM 0 H VAL A 121 0.728 -0.904 5.518 1.00 0.25 H new ATOM 0 HA VAL A 121 1.641 1.835 6.085 1.00 0.26 H new ATOM 0 HB VAL A 121 1.272 0.725 3.289 1.00 0.28 H new ATOM 0 HG11 VAL A 121 3.025 2.398 2.775 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.624 3.139 3.585 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.116 2.820 4.502 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.625 0.054 3.211 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.773 0.377 4.955 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.693 -0.913 4.378 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.545 2.897 5.375 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.794 3.504 4.938 1.00 0.27 C ATOM 1929 C PHE A 122 -1.528 4.299 3.658 1.00 0.27 C ATOM 1930 O PHE A 122 -0.845 5.324 3.673 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.396 4.385 6.062 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.687 5.129 5.732 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -4.066 5.389 4.422 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.516 5.588 6.751 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -5.223 6.078 4.135 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.674 6.283 6.461 1.00 0.38 C ATOM 1937 CZ PHE A 122 -6.027 6.527 5.154 1.00 0.63 C ATOM 0 H PHE A 122 0.052 3.503 5.937 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.533 2.733 4.721 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.581 3.751 6.929 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.646 5.119 6.358 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -3.441 5.044 3.612 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.251 5.399 7.781 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -5.499 6.266 3.108 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.305 6.636 7.263 1.00 0.38 H new ATOM 0 HZ PHE A 122 -6.933 7.070 4.930 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.067 3.795 2.554 1.00 0.34 N ATOM 1948 CA PHE A 123 -1.958 4.441 1.252 1.00 0.34 C ATOM 1949 C PHE A 123 -3.180 5.310 0.996 1.00 0.35 C ATOM 1950 O PHE A 123 -4.307 4.812 1.024 1.00 0.38 O ATOM 1951 CB PHE A 123 -1.871 3.398 0.130 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.545 2.700 -0.009 1.00 0.37 C ATOM 1953 CD1 PHE A 123 0.016 2.011 1.049 1.00 0.32 C ATOM 1954 CD2 PHE A 123 0.125 2.712 -1.221 1.00 0.45 C ATOM 1955 CE1 PHE A 123 1.219 1.350 0.900 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.331 2.058 -1.375 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.880 1.375 -0.311 1.00 0.41 C ATOM 0 H PHE A 123 -2.595 2.922 2.537 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.053 5.049 1.259 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.641 2.645 0.298 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.104 3.888 -0.815 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.492 1.989 2.002 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.303 3.242 -2.059 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.644 0.812 1.734 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.843 2.081 -2.326 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.823 0.862 -0.425 1.00 0.41 H new ATOM 1967 N GLN A 124 -2.967 6.591 0.739 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.071 7.480 0.415 1.00 0.39 C ATOM 1969 C GLN A 124 -3.896 8.073 -0.979 1.00 0.34 C ATOM 1970 O GLN A 124 -2.853 8.651 -1.297 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.190 8.613 1.435 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.470 9.415 1.276 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.426 10.740 2.000 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -5.835 10.749 3.255 1.00 1.54 O flip ATOM 1975 NE2 GLN A 124 -5.029 11.758 1.430 1.00 1.57 N flip ATOM 0 H GLN A 124 -2.049 7.035 0.748 1.00 0.36 H new ATOM 0 HA GLN A 124 -4.984 6.885 0.443 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.151 8.196 2.441 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.334 9.280 1.333 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -5.653 9.592 0.216 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.309 8.829 1.651 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -4.721 11.711 0.459 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -5.009 12.647 1.929 1.00 1.57 H new ATOM 1984 N LYS A 125 -4.920 7.916 -1.803 1.00 0.37 N ATOM 1985 CA LYS A 125 -4.949 8.505 -3.128 1.00 0.38 C ATOM 1986 C LYS A 125 -6.236 9.294 -3.309 1.00 0.35 C ATOM 1987 O LYS A 125 -7.326 8.730 -3.322 1.00 0.41 O ATOM 1988 CB LYS A 125 -4.861 7.417 -4.203 1.00 0.53 C ATOM 1989 CG LYS A 125 -4.969 7.945 -5.627 1.00 0.98 C ATOM 1990 CD LYS A 125 -4.902 6.819 -6.645 1.00 1.06 C ATOM 1991 CE LYS A 125 -4.963 7.344 -8.074 1.00 1.36 C ATOM 1992 NZ LYS A 125 -6.283 7.943 -8.408 1.00 1.55 N ATOM 0 H LYS A 125 -5.753 7.376 -1.570 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.092 9.171 -3.231 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -3.915 6.888 -4.093 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -5.655 6.689 -4.035 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -5.907 8.488 -5.745 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -4.164 8.655 -5.815 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -3.980 6.256 -6.504 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -5.727 6.127 -6.476 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -4.183 8.092 -8.216 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -4.753 6.528 -8.766 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -6.306 8.192 -9.418 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -7.037 7.257 -8.203 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -6.430 8.800 -7.837 1.00 1.55 H new ATOM 2006 N THR A 126 -6.110 10.595 -3.446 1.00 0.31 N ATOM 2007 CA THR A 126 -7.259 11.439 -3.694 1.00 0.31 C ATOM 2008 C THR A 126 -7.316 11.816 -5.162 1.00 0.34 C ATOM 2009 O THR A 126 -6.288 12.135 -5.759 1.00 0.39 O ATOM 2010 CB THR A 126 -7.195 12.722 -2.861 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.006 12.731 -2.059 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.414 12.851 -1.970 1.00 0.47 C ATOM 0 H THR A 126 -5.222 11.093 -3.390 1.00 0.31 H new ATOM 0 HA THR A 126 -8.150 10.877 -3.412 1.00 0.31 H new ATOM 0 HB THR A 126 -7.175 13.570 -3.546 1.00 0.35 H new ATOM 0 HG1 THR A 126 -6.212 13.094 -1.172 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.344 13.770 -1.389 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.313 12.878 -2.585 1.00 0.47 H new ATOM 0 HG23 THR A 126 -8.463 11.997 -1.294 1.00 0.47 H new ATOM 2020 N SER A 127 -8.497 11.764 -5.756 1.00 0.37 N ATOM 2021 CA SER A 127 -8.655 12.147 -7.149 1.00 0.45 C ATOM 2022 C SER A 127 -10.088 12.595 -7.426 1.00 0.51 C ATOM 2023 O SER A 127 -11.026 11.847 -7.180 1.00 0.52 O ATOM 2024 CB SER A 127 -8.278 10.968 -8.056 1.00 0.54 C ATOM 2025 OG SER A 127 -6.962 10.506 -7.783 1.00 0.87 O ATOM 0 H SER A 127 -9.357 11.462 -5.298 1.00 0.37 H new ATOM 0 HA SER A 127 -7.992 12.986 -7.360 1.00 0.45 H new ATOM 0 HB2 SER A 127 -8.989 10.154 -7.912 1.00 0.54 H new ATOM 0 HB3 SER A 127 -8.349 11.272 -9.100 1.00 0.54 H new ATOM 0 HG SER A 127 -6.494 11.162 -7.225 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.245 13.827 -7.923 1.00 0.63 N ATOM 2032 CA GLU A 128 -11.566 14.384 -8.234 1.00 0.74 C ATOM 2033 C GLU A 128 -12.448 14.398 -6.983 1.00 0.66 C ATOM 2034 O GLU A 128 -13.633 14.055 -7.027 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.227 13.571 -9.351 1.00 0.89 C ATOM 2036 CG GLU A 128 -13.509 14.181 -9.893 1.00 1.26 C ATOM 2037 CD GLU A 128 -13.284 15.505 -10.587 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.207 16.545 -9.895 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -13.177 15.512 -11.832 1.00 2.13 O ATOM 0 H GLU A 128 -9.469 14.460 -8.119 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.444 15.412 -8.576 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -11.517 13.458 -10.171 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -12.444 12.571 -8.977 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -13.970 13.484 -10.593 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -14.213 14.322 -9.073 1.00 1.26 H new ATOM 2046 N ASN A 129 -11.833 14.758 -5.859 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.498 14.791 -4.550 1.00 0.70 C ATOM 2048 C ASN A 129 -12.839 13.377 -4.071 1.00 0.59 C ATOM 2049 O ASN A 129 -13.257 13.176 -2.933 1.00 0.71 O ATOM 2050 CB ASN A 129 -13.754 15.673 -4.590 1.00 0.91 C ATOM 2051 CG ASN A 129 -14.332 15.972 -3.213 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -13.476 16.092 -2.205 1.00 1.64 O flip ATOM 2053 ND2 ASN A 129 -15.545 16.122 -3.062 1.00 2.21 N flip ATOM 0 H ASN A 129 -10.853 15.038 -5.826 1.00 0.64 H new ATOM 0 HA ASN A 129 -11.803 15.230 -3.835 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -13.512 16.613 -5.085 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -14.515 15.180 -5.195 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -16.174 16.023 -3.859 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -15.920 16.346 -2.140 1.00 2.21 H new ATOM 2060 N LYS A 130 -12.642 12.395 -4.941 1.00 0.45 N ATOM 2061 CA LYS A 130 -12.839 11.006 -4.582 1.00 0.49 C ATOM 2062 C LYS A 130 -11.630 10.508 -3.811 1.00 0.42 C ATOM 2063 O LYS A 130 -10.519 10.444 -4.341 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.068 10.156 -5.833 1.00 0.64 C ATOM 2065 CG LYS A 130 -14.372 10.460 -6.554 1.00 1.02 C ATOM 2066 CD LYS A 130 -15.569 9.880 -5.816 1.00 1.36 C ATOM 2067 CE LYS A 130 -15.502 8.361 -5.757 1.00 2.08 C ATOM 2068 NZ LYS A 130 -15.589 7.745 -7.108 1.00 2.80 N ATOM 0 H LYS A 130 -12.344 12.542 -5.905 1.00 0.45 H new ATOM 0 HA LYS A 130 -13.724 10.921 -3.951 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -12.238 10.311 -6.523 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -13.056 9.103 -5.552 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -14.492 11.539 -6.651 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -14.334 10.052 -7.564 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -15.605 10.284 -4.804 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -16.489 10.186 -6.314 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -14.570 8.058 -5.280 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -16.315 7.986 -5.135 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -16.155 6.874 -7.057 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -16.040 8.413 -7.766 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -14.633 7.517 -7.448 1.00 2.80 H new ATOM 2082 N GLN A 131 -11.848 10.203 -2.550 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.787 9.751 -1.678 1.00 0.44 C ATOM 2084 C GLN A 131 -10.703 8.225 -1.681 1.00 0.48 C ATOM 2085 O GLN A 131 -11.654 7.548 -1.294 1.00 0.59 O ATOM 2086 CB GLN A 131 -11.059 10.270 -0.262 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.773 11.757 -0.115 1.00 0.56 C ATOM 2088 CD GLN A 131 -11.193 12.315 1.230 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -12.339 12.718 1.420 1.00 1.11 O ATOM 2090 NE2 GLN A 131 -10.258 12.379 2.164 1.00 1.57 N ATOM 0 H GLN A 131 -12.763 10.261 -2.102 1.00 0.43 H new ATOM 0 HA GLN A 131 -9.832 10.138 -2.034 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -12.100 10.077 -0.003 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -10.446 9.715 0.448 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.706 11.931 -0.256 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.292 12.300 -0.905 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -9.318 12.034 1.969 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -10.477 12.773 3.079 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.576 7.685 -2.134 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.340 6.248 -2.062 1.00 0.50 C ATOM 2101 C TYR A 132 -8.192 5.997 -1.110 1.00 0.44 C ATOM 2102 O TYR A 132 -7.160 6.655 -1.178 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.025 5.635 -3.431 1.00 0.57 C ATOM 2104 CG TYR A 132 -9.982 6.048 -4.528 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -9.828 7.257 -5.197 1.00 0.68 C ATOM 2106 CD2 TYR A 132 -11.043 5.228 -4.891 1.00 0.87 C ATOM 2107 CE1 TYR A 132 -10.706 7.636 -6.193 1.00 0.81 C ATOM 2108 CE2 TYR A 132 -11.923 5.600 -5.889 1.00 1.01 C ATOM 2109 CZ TYR A 132 -11.751 6.805 -6.534 1.00 0.96 C ATOM 2110 OH TYR A 132 -12.629 7.179 -7.526 1.00 1.12 O ATOM 0 H TYR A 132 -8.815 8.219 -2.553 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.253 5.771 -1.706 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -8.013 5.919 -3.720 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -9.038 4.549 -3.342 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -9.009 7.910 -4.934 1.00 0.68 H new ATOM 0 HD2 TYR A 132 -11.182 4.284 -4.385 1.00 0.87 H new ATOM 0 HE1 TYR A 132 -10.574 8.579 -6.702 1.00 0.81 H new ATOM 0 HE2 TYR A 132 -12.741 4.950 -6.162 1.00 1.01 H new ATOM 0 HH TYR A 132 -13.152 6.401 -7.811 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.379 5.053 -0.223 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.480 4.874 0.899 1.00 0.30 C ATOM 2122 C PHE A 133 -7.528 3.434 1.382 1.00 0.25 C ATOM 2123 O PHE A 133 -8.588 2.798 1.367 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.872 5.842 2.023 1.00 0.45 C ATOM 2125 CG PHE A 133 -9.310 5.717 2.434 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -10.326 6.014 1.540 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -9.647 5.274 3.696 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -11.641 5.872 1.897 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -10.964 5.128 4.056 1.00 1.82 C ATOM 2130 CZ PHE A 133 -11.958 5.426 3.155 1.00 1.95 C ATOM 0 H PHE A 133 -9.152 4.388 -0.253 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.458 5.091 0.588 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -7.236 5.660 2.889 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.681 6.864 1.697 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.078 6.362 0.548 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -8.868 5.040 4.407 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -12.424 6.110 1.192 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -11.218 4.779 5.046 1.00 1.82 H new ATOM 0 HZ PHE A 133 -12.993 5.309 3.439 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.379 2.916 1.770 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.284 1.553 2.258 1.00 0.24 C ATOM 2142 C LYS A 134 -5.096 1.411 3.204 1.00 0.17 C ATOM 2143 O LYS A 134 -4.150 2.191 3.137 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.118 0.585 1.084 1.00 0.38 C ATOM 2145 CG LYS A 134 -4.785 0.731 0.372 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.591 -0.344 -0.677 1.00 0.76 C ATOM 2147 CE LYS A 134 -3.152 -0.376 -1.167 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.801 0.857 -1.920 1.00 1.30 N ATOM 0 H LYS A 134 -5.493 3.421 1.757 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.201 1.314 2.797 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.218 -0.438 1.448 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.924 0.749 0.369 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.729 1.713 -0.098 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -3.976 0.679 1.100 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.859 -1.315 -0.261 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -5.261 -0.162 -1.517 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.480 -0.487 -0.316 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -3.004 -1.247 -1.805 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -2.569 0.609 -2.903 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.609 1.512 -1.910 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -1.979 1.314 -1.475 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.146 0.413 4.066 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.000 0.045 4.865 1.00 0.17 C ATOM 2164 C VAL A 135 -3.455 -1.285 4.339 1.00 0.20 C ATOM 2165 O VAL A 135 -4.208 -2.235 4.109 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.337 -0.036 6.382 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.170 -1.264 6.737 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.066 0.021 7.214 1.00 0.78 C ATOM 0 H VAL A 135 -5.975 -0.159 4.229 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.239 0.820 4.774 1.00 0.17 H new ATOM 0 HB VAL A 135 -4.952 0.832 6.619 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.375 -1.268 7.808 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.111 -1.236 6.188 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.620 -2.166 6.469 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.321 -0.037 8.272 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.420 -0.817 6.950 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.544 0.957 7.017 1.00 0.78 H new ATOM 2178 N THR A 136 -2.166 -1.322 4.072 1.00 0.20 N ATOM 2179 CA THR A 136 -1.541 -2.482 3.474 1.00 0.22 C ATOM 2180 C THR A 136 -0.858 -3.327 4.536 1.00 0.24 C ATOM 2181 O THR A 136 -0.506 -2.833 5.608 1.00 0.47 O ATOM 2182 CB THR A 136 -0.476 -2.073 2.435 1.00 0.43 C ATOM 2183 OG1 THR A 136 0.635 -1.472 3.094 1.00 1.41 O ATOM 2184 CG2 THR A 136 -1.033 -1.088 1.428 1.00 0.65 C ATOM 0 H THR A 136 -1.525 -0.552 4.263 1.00 0.20 H new ATOM 0 HA THR A 136 -2.331 -3.052 2.984 1.00 0.22 H new ATOM 0 HB THR A 136 -0.165 -2.975 1.908 1.00 0.43 H new ATOM 0 HG1 THR A 136 1.462 -1.714 2.628 1.00 1.41 H new ATOM 0 HG21 THR A 136 -0.256 -0.822 0.711 1.00 0.65 H new ATOM 0 HG22 THR A 136 -1.872 -1.542 0.901 1.00 0.65 H new ATOM 0 HG23 THR A 136 -1.372 -0.191 1.946 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.665 -4.590 4.227 1.00 0.18 N ATOM 2193 CA LEU A 137 0.119 -5.466 5.070 1.00 0.21 C ATOM 2194 C LEU A 137 1.284 -6.011 4.252 1.00 0.17 C ATOM 2195 O LEU A 137 1.100 -6.890 3.414 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.768 -6.600 5.606 1.00 0.33 C ATOM 2197 CG LEU A 137 -0.196 -7.437 6.761 1.00 0.34 C ATOM 2198 CD1 LEU A 137 0.915 -8.354 6.289 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.304 -6.539 7.878 1.00 0.68 C ATOM 0 H LEU A 137 -1.043 -5.036 3.392 1.00 0.18 H new ATOM 0 HA LEU A 137 0.514 -4.921 5.927 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.712 -6.167 5.935 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -0.997 -7.273 4.779 1.00 0.33 H new ATOM 0 HG LEU A 137 -1.005 -8.060 7.144 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.295 -8.930 7.133 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.528 -9.034 5.530 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.723 -7.758 5.864 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.705 -7.152 8.686 1.00 0.68 H new ATOM 0 HD22 LEU A 137 1.088 -5.885 7.496 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.521 -5.935 8.256 1.00 0.68 H new ATOM 2211 N TYR A 138 2.467 -5.456 4.471 1.00 0.18 N ATOM 2212 CA TYR A 138 3.672 -5.913 3.786 1.00 0.26 C ATOM 2213 C TYR A 138 4.492 -6.808 4.701 1.00 0.20 C ATOM 2214 O TYR A 138 4.336 -6.768 5.920 1.00 0.25 O ATOM 2215 CB TYR A 138 4.532 -4.733 3.325 1.00 0.44 C ATOM 2216 CG TYR A 138 4.005 -4.017 2.102 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.962 -4.655 0.869 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.563 -2.704 2.175 1.00 0.54 C ATOM 2219 CE1 TYR A 138 3.490 -4.006 -0.254 1.00 2.04 C ATOM 2220 CE2 TYR A 138 3.090 -2.046 1.056 1.00 1.18 C ATOM 2221 CZ TYR A 138 3.057 -2.702 -0.158 1.00 1.94 C ATOM 2222 OH TYR A 138 2.586 -2.057 -1.280 1.00 2.64 O ATOM 0 H TYR A 138 2.621 -4.685 5.121 1.00 0.18 H new ATOM 0 HA TYR A 138 3.358 -6.477 2.908 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.614 -4.017 4.143 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.539 -5.093 3.115 1.00 0.44 H new ATOM 0 HD1 TYR A 138 4.304 -5.676 0.788 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.589 -2.187 3.123 1.00 0.54 H new ATOM 0 HE1 TYR A 138 3.460 -4.519 -1.204 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.748 -1.024 1.131 1.00 1.18 H new ATOM 0 HH TYR A 138 2.409 -1.117 -1.067 1.00 2.64 H new ATOM 2232 N GLY A 139 5.360 -7.608 4.106 1.00 0.28 N ATOM 2233 CA GLY A 139 6.214 -8.494 4.872 1.00 0.29 C ATOM 2234 C GLY A 139 7.487 -8.825 4.118 1.00 0.33 C ATOM 2235 O GLY A 139 7.625 -8.442 2.952 1.00 0.45 O ATOM 0 H GLY A 139 5.491 -7.661 3.096 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.465 -8.027 5.824 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.675 -9.414 5.100 1.00 0.29 H new ATOM 2239 N ARG A 140 8.407 -9.537 4.770 1.00 0.37 N ATOM 2240 CA ARG A 140 9.643 -9.983 4.126 1.00 0.49 C ATOM 2241 C ARG A 140 9.332 -10.722 2.831 1.00 0.38 C ATOM 2242 O ARG A 140 9.926 -10.450 1.788 1.00 0.51 O ATOM 2243 CB ARG A 140 10.430 -10.903 5.065 1.00 0.78 C ATOM 2244 CG ARG A 140 11.654 -11.562 4.433 1.00 1.61 C ATOM 2245 CD ARG A 140 12.799 -10.583 4.202 1.00 1.91 C ATOM 2246 NE ARG A 140 12.508 -9.594 3.161 1.00 2.46 N ATOM 2247 CZ ARG A 140 13.432 -8.819 2.602 1.00 3.13 C ATOM 2248 NH1 ARG A 140 14.706 -8.935 2.958 1.00 3.38 N ATOM 2249 NH2 ARG A 140 13.087 -7.920 1.688 1.00 3.99 N ATOM 0 H ARG A 140 8.319 -9.818 5.747 1.00 0.37 H new ATOM 0 HA ARG A 140 10.246 -9.104 3.898 1.00 0.49 H new ATOM 0 HB2 ARG A 140 10.752 -10.326 5.932 1.00 0.78 H new ATOM 0 HB3 ARG A 140 9.763 -11.683 5.431 1.00 0.78 H new ATOM 0 HG2 ARG A 140 11.998 -12.371 5.077 1.00 1.61 H new ATOM 0 HG3 ARG A 140 11.369 -12.011 3.482 1.00 1.61 H new ATOM 0 HD2 ARG A 140 13.020 -10.065 5.135 1.00 1.91 H new ATOM 0 HD3 ARG A 140 13.695 -11.139 3.926 1.00 1.91 H new ATOM 0 HE ARG A 140 11.542 -9.495 2.848 1.00 2.46 H new ATOM 0 HH11 ARG A 140 14.978 -9.621 3.663 1.00 3.38 H new ATOM 0 HH12 ARG A 140 15.412 -8.339 2.527 1.00 3.38 H new ATOM 0 HH21 ARG A 140 12.110 -7.822 1.412 1.00 3.99 H new ATOM 0 HH22 ARG A 140 13.799 -7.327 1.261 1.00 3.99 H new ATOM 2263 N THR A 141 8.401 -11.655 2.917 1.00 0.40 N ATOM 2264 CA THR A 141 7.960 -12.406 1.764 1.00 0.58 C ATOM 2265 C THR A 141 6.502 -12.835 1.964 1.00 0.64 C ATOM 2266 O THR A 141 5.777 -12.212 2.740 1.00 1.14 O ATOM 2267 CB THR A 141 8.886 -13.626 1.510 1.00 0.85 C ATOM 2268 OG1 THR A 141 8.492 -14.324 0.318 1.00 1.13 O ATOM 2269 CG2 THR A 141 8.881 -14.582 2.696 1.00 0.94 C ATOM 0 H THR A 141 7.933 -11.910 3.787 1.00 0.40 H new ATOM 0 HA THR A 141 8.017 -11.774 0.878 1.00 0.58 H new ATOM 0 HB THR A 141 9.899 -13.246 1.380 1.00 0.85 H new ATOM 0 HG1 THR A 141 9.088 -15.088 0.174 1.00 1.13 H new ATOM 0 HG21 THR A 141 9.539 -15.425 2.486 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.233 -14.060 3.586 1.00 0.94 H new ATOM 0 HG23 THR A 141 7.868 -14.946 2.866 1.00 0.94 H new ATOM 2277 N LYS A 142 6.081 -13.896 1.295 1.00 0.79 N ATOM 2278 CA LYS A 142 4.697 -14.362 1.362 1.00 0.87 C ATOM 2279 C LYS A 142 4.418 -15.122 2.662 1.00 0.84 C ATOM 2280 O LYS A 142 3.423 -15.840 2.777 1.00 1.09 O ATOM 2281 CB LYS A 142 4.414 -15.270 0.168 1.00 1.02 C ATOM 2282 CG LYS A 142 4.793 -14.658 -1.167 1.00 1.17 C ATOM 2283 CD LYS A 142 4.792 -15.708 -2.256 1.00 0.84 C ATOM 2284 CE LYS A 142 5.270 -15.145 -3.590 1.00 0.85 C ATOM 2285 NZ LYS A 142 5.273 -16.177 -4.662 1.00 1.57 N ATOM 0 H LYS A 142 6.681 -14.459 0.692 1.00 0.79 H new ATOM 0 HA LYS A 142 4.043 -13.490 1.338 1.00 0.87 H new ATOM 0 HB2 LYS A 142 4.959 -16.205 0.297 1.00 1.02 H new ATOM 0 HB3 LYS A 142 3.353 -15.519 0.155 1.00 1.02 H new ATOM 0 HG2 LYS A 142 4.091 -13.863 -1.421 1.00 1.17 H new ATOM 0 HG3 LYS A 142 5.780 -14.201 -1.096 1.00 1.17 H new ATOM 0 HD2 LYS A 142 5.435 -16.537 -1.961 1.00 0.84 H new ATOM 0 HD3 LYS A 142 3.785 -16.110 -2.372 1.00 0.84 H new ATOM 0 HE2 LYS A 142 4.626 -14.317 -3.886 1.00 0.85 H new ATOM 0 HE3 LYS A 142 6.275 -14.741 -3.473 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 5.699 -15.781 -5.524 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 5.826 -17.001 -4.349 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 4.296 -16.472 -4.863 1.00 1.57 H new ATOM 2299 N GLY A 143 5.286 -14.947 3.640 1.00 0.67 N ATOM 2300 CA GLY A 143 5.170 -15.683 4.880 1.00 0.70 C ATOM 2301 C GLY A 143 5.173 -14.794 6.109 1.00 0.62 C ATOM 2302 O GLY A 143 6.229 -14.500 6.668 1.00 0.74 O ATOM 0 H GLY A 143 6.076 -14.303 3.598 1.00 0.67 H new ATOM 0 HA2 GLY A 143 4.249 -16.265 4.864 1.00 0.70 H new ATOM 0 HA3 GLY A 143 5.994 -16.393 4.952 1.00 0.70 H new ATOM 2306 N LEU A 144 3.991 -14.358 6.518 1.00 0.52 N ATOM 2307 CA LEU A 144 3.820 -13.601 7.756 1.00 0.46 C ATOM 2308 C LEU A 144 2.742 -14.259 8.608 1.00 0.48 C ATOM 2309 O LEU A 144 1.844 -14.913 8.077 1.00 0.53 O ATOM 2310 CB LEU A 144 3.432 -12.148 7.461 1.00 0.43 C ATOM 2311 CG LEU A 144 4.517 -11.293 6.810 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.028 -9.862 6.669 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.802 -11.333 7.626 1.00 0.56 C ATOM 0 H LEU A 144 3.124 -14.517 6.005 1.00 0.52 H new ATOM 0 HA LEU A 144 4.767 -13.599 8.295 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.557 -12.150 6.811 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.133 -11.674 8.396 1.00 0.43 H new ATOM 0 HG LEU A 144 4.732 -11.698 5.821 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.806 -9.256 6.204 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.133 -9.843 6.047 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.794 -9.459 7.654 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.560 -10.717 7.142 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.609 -10.950 8.628 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.159 -12.361 7.693 1.00 0.56 H new ATOM 2325 N SER A 145 2.850 -14.106 9.921 1.00 0.51 N ATOM 2326 CA SER A 145 1.866 -14.653 10.841 1.00 0.56 C ATOM 2327 C SER A 145 0.511 -13.996 10.622 1.00 0.50 C ATOM 2328 O SER A 145 0.421 -12.803 10.332 1.00 0.49 O ATOM 2329 CB SER A 145 2.312 -14.436 12.292 1.00 0.65 C ATOM 2330 OG SER A 145 1.357 -14.951 13.206 1.00 1.43 O ATOM 0 H SER A 145 3.614 -13.604 10.373 1.00 0.51 H new ATOM 0 HA SER A 145 1.779 -15.723 10.650 1.00 0.56 H new ATOM 0 HB2 SER A 145 3.274 -14.921 12.456 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.457 -13.371 12.475 1.00 0.65 H new ATOM 0 HG SER A 145 1.668 -14.801 14.123 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.542 -14.786 10.757 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.899 -14.274 10.663 1.00 0.51 C ATOM 2338 C ASP A 146 -2.171 -13.278 11.778 1.00 0.48 C ATOM 2339 O ASP A 146 -3.057 -12.437 11.658 1.00 0.46 O ATOM 2340 CB ASP A 146 -2.925 -15.406 10.688 1.00 0.62 C ATOM 2341 CG ASP A 146 -3.327 -15.842 9.292 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -4.164 -15.154 8.672 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -2.805 -16.866 8.802 1.00 2.08 O ATOM 0 H ASP A 146 -0.482 -15.789 10.933 1.00 0.53 H new ATOM 0 HA ASP A 146 -1.997 -13.760 9.707 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.512 -16.258 11.228 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -3.810 -15.081 11.235 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.398 -13.375 12.858 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.525 -12.445 13.975 1.00 0.53 C ATOM 2350 C GLU A 147 -1.278 -11.014 13.509 1.00 0.45 C ATOM 2351 O GLU A 147 -2.077 -10.116 13.784 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.539 -12.793 15.094 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.718 -11.930 16.336 1.00 0.72 C ATOM 2354 CD GLU A 147 0.350 -12.160 17.382 1.00 1.25 C ATOM 2355 OE1 GLU A 147 0.291 -13.187 18.089 1.00 1.48 O ATOM 2356 OE2 GLU A 147 1.254 -11.307 17.510 1.00 1.99 O ATOM 0 H GLU A 147 -0.679 -14.087 12.982 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.540 -12.529 14.362 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.662 -13.841 15.366 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.479 -12.678 14.722 1.00 0.62 H new ATOM 0 HG2 GLU A 147 -0.711 -10.880 16.044 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -1.695 -12.133 16.774 1.00 0.72 H new ATOM 2363 N LEU A 148 -0.182 -10.810 12.779 1.00 0.41 N ATOM 2364 CA LEU A 148 0.167 -9.481 12.293 1.00 0.37 C ATOM 2365 C LEU A 148 -0.834 -9.019 11.237 1.00 0.31 C ATOM 2366 O LEU A 148 -1.090 -7.826 11.087 1.00 0.29 O ATOM 2367 CB LEU A 148 1.626 -9.434 11.779 1.00 0.37 C ATOM 2368 CG LEU A 148 2.023 -10.398 10.646 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.506 -9.930 9.297 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.537 -10.546 10.585 1.00 0.38 C ATOM 0 H LEU A 148 0.474 -11.545 12.514 1.00 0.41 H new ATOM 0 HA LEU A 148 0.109 -8.782 13.127 1.00 0.37 H new ATOM 0 HB2 LEU A 148 1.828 -8.418 11.440 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.285 -9.624 12.626 1.00 0.37 H new ATOM 0 HG LEU A 148 1.566 -11.363 10.868 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.808 -10.638 8.526 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.418 -9.867 9.326 1.00 0.33 H new ATOM 0 HD13 LEU A 148 1.920 -8.948 9.070 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.804 -11.230 9.780 1.00 0.38 H new ATOM 0 HD22 LEU A 148 3.991 -9.572 10.399 1.00 0.38 H new ATOM 0 HD23 LEU A 148 3.902 -10.941 11.533 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.410 -9.977 10.522 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.441 -9.682 9.538 1.00 0.29 C ATOM 2384 C LYS A 149 -3.711 -9.190 10.238 1.00 0.29 C ATOM 2385 O LYS A 149 -4.242 -8.136 9.910 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.755 -10.930 8.704 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.587 -11.434 7.867 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.834 -12.848 7.358 1.00 0.80 C ATOM 2389 CE LYS A 149 -3.084 -12.934 6.498 1.00 0.83 C ATOM 2390 NZ LYS A 149 -3.489 -14.343 6.247 1.00 1.22 N ATOM 0 H LYS A 149 -1.179 -10.967 10.606 1.00 0.31 H new ATOM 0 HA LYS A 149 -2.074 -8.899 8.874 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -3.079 -11.728 9.373 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.593 -10.709 8.042 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.428 -10.764 7.022 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.675 -11.415 8.464 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -0.972 -13.180 6.779 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -1.930 -13.527 8.206 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -3.900 -12.404 6.989 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -2.905 -12.433 5.547 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -4.024 -14.397 5.357 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -2.641 -14.941 6.178 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -4.085 -14.678 7.030 1.00 1.22 H new ATOM 2404 N GLU A 150 -4.191 -9.953 11.213 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.367 -9.553 11.980 1.00 0.35 C ATOM 2406 C GLU A 150 -5.144 -8.188 12.628 1.00 0.34 C ATOM 2407 O GLU A 150 -6.077 -7.400 12.786 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.712 -10.600 13.044 1.00 0.42 C ATOM 2409 CG GLU A 150 -6.176 -11.935 12.475 1.00 1.02 C ATOM 2410 CD GLU A 150 -7.459 -11.821 11.670 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -8.535 -11.650 12.280 1.00 2.00 O ATOM 2412 OE2 GLU A 150 -7.393 -11.887 10.423 1.00 1.83 O ATOM 0 H GLU A 150 -3.787 -10.848 11.491 1.00 0.33 H new ATOM 0 HA GLU A 150 -6.209 -9.479 11.292 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -4.836 -10.769 13.670 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -6.494 -10.201 13.691 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -5.391 -12.347 11.841 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -6.328 -12.640 13.293 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.903 -7.917 13.014 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.547 -6.614 13.551 1.00 0.35 C ATOM 2421 C ARG A 151 -3.820 -5.511 12.523 1.00 0.30 C ATOM 2422 O ARG A 151 -4.396 -4.475 12.862 1.00 0.32 O ATOM 2423 CB ARG A 151 -2.081 -6.585 13.978 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.632 -5.229 14.497 1.00 1.21 C ATOM 2425 CD ARG A 151 -0.189 -5.260 14.968 1.00 1.20 C ATOM 2426 NE ARG A 151 -0.019 -6.078 16.169 1.00 1.71 N ATOM 2427 CZ ARG A 151 1.142 -6.240 16.800 1.00 1.97 C ATOM 2428 NH1 ARG A 151 2.232 -5.619 16.359 1.00 1.74 N ATOM 2429 NH2 ARG A 151 1.210 -7.018 17.874 1.00 2.88 N ATOM 0 H ARG A 151 -3.130 -8.581 12.965 1.00 0.33 H new ATOM 0 HA ARG A 151 -4.167 -6.432 14.429 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.921 -7.334 14.753 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.457 -6.866 13.130 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.742 -4.483 13.710 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -2.277 -4.922 15.320 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.444 -5.651 14.171 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.147 -4.243 15.172 1.00 1.20 H new ATOM 0 HE ARG A 151 -0.839 -6.553 16.546 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.179 -5.018 15.537 1.00 1.74 H new ATOM 0 HH12 ARG A 151 3.121 -5.744 16.843 1.00 1.74 H new ATOM 0 HH21 ARG A 151 0.373 -7.491 18.215 1.00 2.88 H new ATOM 0 HH22 ARG A 151 2.099 -7.143 18.358 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.436 -5.743 11.265 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.626 -4.730 10.231 1.00 0.27 C ATOM 2445 C PHE A 152 -5.113 -4.521 9.964 1.00 0.23 C ATOM 2446 O PHE A 152 -5.556 -3.388 9.787 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.864 -5.072 8.923 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.692 -5.711 7.827 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.660 -4.985 7.151 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.505 -7.037 7.483 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.426 -5.569 6.171 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.266 -7.627 6.496 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.230 -6.892 5.841 1.00 0.21 C ATOM 0 H PHE A 152 -3.000 -6.608 10.944 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.201 -3.797 10.603 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.422 -4.156 8.532 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.041 -5.743 9.169 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.814 -3.945 7.398 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -2.752 -7.619 7.994 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.181 -4.991 5.660 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.107 -8.663 6.237 1.00 0.26 H new ATOM 0 HZ PHE A 152 -5.831 -7.352 5.070 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.888 -5.609 9.938 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.316 -5.493 9.668 1.00 0.22 C ATOM 2465 C VAL A 153 -7.958 -4.660 10.772 1.00 0.25 C ATOM 2466 O VAL A 153 -8.800 -3.816 10.503 1.00 0.28 O ATOM 2467 CB VAL A 153 -8.038 -6.870 9.537 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.196 -7.856 8.742 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.412 -7.469 10.885 1.00 0.28 C ATOM 0 H VAL A 153 -5.556 -6.560 10.098 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.428 -5.005 8.700 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.966 -6.678 8.999 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.724 -8.807 8.667 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.018 -7.459 7.742 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.242 -8.009 9.247 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.911 -8.426 10.732 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.510 -7.621 11.478 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -9.083 -6.790 11.411 1.00 0.28 H new ATOM 2479 N SER A 154 -7.500 -4.863 12.006 1.00 0.28 N ATOM 2480 CA SER A 154 -7.994 -4.105 13.145 1.00 0.33 C ATOM 2481 C SER A 154 -7.618 -2.630 13.003 1.00 0.32 C ATOM 2482 O SER A 154 -8.374 -1.740 13.403 1.00 0.35 O ATOM 2483 CB SER A 154 -7.426 -4.681 14.444 1.00 0.38 C ATOM 2484 OG SER A 154 -7.729 -6.064 14.562 1.00 1.05 O ATOM 0 H SER A 154 -6.784 -5.551 12.239 1.00 0.28 H new ATOM 0 HA SER A 154 -9.081 -4.181 13.176 1.00 0.33 H new ATOM 0 HB2 SER A 154 -6.346 -4.538 14.468 1.00 0.38 H new ATOM 0 HB3 SER A 154 -7.838 -4.141 15.296 1.00 0.38 H new ATOM 0 HG SER A 154 -7.154 -6.578 13.957 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.449 -2.385 12.416 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.997 -1.030 12.132 1.00 0.29 C ATOM 2492 C PHE A 155 -6.854 -0.419 11.026 1.00 0.28 C ATOM 2493 O PHE A 155 -7.140 0.779 11.041 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.517 -1.037 11.724 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.909 0.332 11.603 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.631 1.081 12.735 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.616 0.870 10.360 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -3.070 2.339 12.631 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.056 2.127 10.250 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.783 2.862 11.385 1.00 0.39 C ATOM 0 H PHE A 155 -5.796 -3.113 12.127 1.00 0.29 H new ATOM 0 HA PHE A 155 -6.102 -0.425 13.032 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.951 -1.611 12.458 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.416 -1.553 10.769 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.856 0.676 13.711 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.828 0.300 9.468 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.856 2.912 13.521 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.832 2.535 9.275 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.345 3.846 11.300 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.276 -1.258 10.080 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.169 -0.832 9.008 1.00 0.25 C ATOM 2512 C ALA A 156 -9.434 -0.190 9.583 1.00 0.28 C ATOM 2513 O ALA A 156 -9.861 0.879 9.140 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.554 -2.009 8.115 1.00 0.25 C ATOM 0 H ALA A 156 -7.011 -2.242 10.037 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.635 -0.096 8.407 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.220 -1.663 7.324 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.656 -2.438 7.671 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -9.062 -2.767 8.711 1.00 0.25 H new ATOM 2520 N LYS A 157 -10.023 -0.846 10.583 1.00 0.33 N ATOM 2521 CA LYS A 157 -11.238 -0.337 11.220 1.00 0.39 C ATOM 2522 C LYS A 157 -10.929 0.882 12.087 1.00 0.41 C ATOM 2523 O LYS A 157 -11.810 1.695 12.368 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.919 -1.417 12.073 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.268 -2.688 11.313 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.356 -3.829 11.723 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.510 -5.051 10.832 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.801 -5.750 11.059 1.00 0.75 N ATOM 0 H LYS A 157 -9.681 -1.726 10.968 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.921 -0.044 10.423 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -11.263 -1.674 12.905 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.831 -1.003 12.503 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -13.306 -2.959 11.506 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -12.178 -2.512 10.241 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -10.320 -3.490 11.693 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -11.570 -4.107 12.755 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.441 -4.748 9.787 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.687 -5.741 11.019 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.685 -6.765 10.867 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -13.099 -5.617 12.046 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.525 -5.358 10.423 1.00 0.75 H new ATOM 2542 N SER A 158 -9.673 1.012 12.496 1.00 0.48 N ATOM 2543 CA SER A 158 -9.261 2.122 13.342 1.00 0.58 C ATOM 2544 C SER A 158 -9.223 3.421 12.539 1.00 0.49 C ATOM 2545 O SER A 158 -9.427 4.504 13.091 1.00 0.55 O ATOM 2546 CB SER A 158 -7.896 1.839 13.980 1.00 0.81 C ATOM 2547 OG SER A 158 -7.563 2.823 14.948 1.00 1.39 O ATOM 0 H SER A 158 -8.924 0.363 12.255 1.00 0.48 H new ATOM 0 HA SER A 158 -9.993 2.234 14.142 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.909 0.855 14.449 1.00 0.81 H new ATOM 0 HB3 SER A 158 -7.129 1.814 13.206 1.00 0.81 H new ATOM 0 HG SER A 158 -6.688 2.615 15.338 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.953 3.314 11.239 1.00 0.43 N ATOM 2554 CA LEU A 159 -9.047 4.469 10.354 1.00 0.46 C ATOM 2555 C LEU A 159 -10.513 4.820 10.107 1.00 0.38 C ATOM 2556 O LEU A 159 -10.863 5.988 9.939 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.346 4.221 9.007 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.839 4.526 8.944 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.494 5.794 9.716 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.006 3.352 9.428 1.00 0.76 C ATOM 0 H LEU A 159 -8.670 2.448 10.781 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.542 5.299 10.848 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.493 3.176 8.735 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.846 4.822 8.248 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.592 4.695 7.896 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.422 5.979 9.651 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -7.035 6.638 9.289 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.778 5.672 10.761 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -4.948 3.607 9.368 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.266 3.123 10.462 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.205 2.482 8.802 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.367 3.802 10.109 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.781 4.021 9.865 1.00 0.41 C ATOM 2574 C GLY A 160 -13.373 3.012 8.898 1.00 0.35 C ATOM 2575 O GLY A 160 -14.568 3.045 8.606 1.00 0.42 O ATOM 0 H GLY A 160 -11.106 2.830 10.275 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.320 3.971 10.811 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -12.925 5.026 9.468 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.544 2.111 8.397 1.00 0.38 N ATOM 2580 CA LEU A 161 -13.000 1.109 7.446 1.00 0.35 C ATOM 2581 C LEU A 161 -13.498 -0.141 8.157 1.00 0.37 C ATOM 2582 O LEU A 161 -13.589 -0.179 9.381 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.877 0.757 6.481 1.00 0.32 C ATOM 2584 CG LEU A 161 -12.086 1.245 5.050 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.785 1.793 4.483 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.608 0.102 4.188 1.00 0.35 C ATOM 0 H LEU A 161 -11.553 2.052 8.632 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.835 1.529 6.885 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -10.946 1.177 6.861 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.756 -0.326 6.466 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.822 2.049 5.051 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.950 2.137 3.462 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -10.443 2.627 5.096 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -10.029 1.008 4.484 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.756 0.454 3.167 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -11.885 -0.714 4.189 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.557 -0.253 4.590 1.00 0.35 H new ATOM 2598 N LYS A 162 -13.830 -1.157 7.377 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.495 -2.342 7.895 1.00 0.42 C ATOM 2600 C LYS A 162 -14.076 -3.578 7.119 1.00 0.36 C ATOM 2601 O LYS A 162 -13.700 -3.497 5.952 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.025 -2.163 7.853 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.630 -1.939 6.462 1.00 0.86 C ATOM 2604 CD LYS A 162 -16.100 -0.682 5.768 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.708 0.624 6.287 1.00 0.77 C ATOM 2606 NZ LYS A 162 -16.715 0.740 7.776 1.00 1.46 N ATOM 0 H LYS A 162 -13.648 -1.184 6.374 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.194 -2.478 8.934 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.488 -3.047 8.292 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.291 -1.316 8.485 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -16.419 -2.807 5.837 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -17.714 -1.867 6.552 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -15.018 -0.641 5.892 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -16.295 -0.761 4.699 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -16.151 1.463 5.870 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -17.731 0.707 5.921 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -16.813 1.740 8.046 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -17.513 0.197 8.163 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -15.824 0.364 8.158 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.147 -4.714 7.811 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.732 -6.026 7.294 1.00 0.41 C ATOM 2622 C ASP A 163 -14.417 -6.366 5.981 1.00 0.39 C ATOM 2623 O ASP A 163 -13.926 -7.175 5.200 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.066 -7.098 8.332 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.609 -8.483 7.927 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -12.404 -8.782 8.061 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -14.449 -9.266 7.448 1.00 1.81 O ATOM 0 H ASP A 163 -14.501 -4.754 8.767 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.659 -5.990 7.106 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -13.601 -6.832 9.282 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.143 -7.112 8.497 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.548 -5.720 5.746 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.322 -5.916 4.523 1.00 0.43 C ATOM 2634 C ASN A 164 -15.513 -5.472 3.305 1.00 0.38 C ATOM 2635 O ASN A 164 -15.824 -5.829 2.169 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.627 -5.120 4.605 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.567 -5.382 3.443 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.609 -6.617 2.965 1.00 2.34 O flip ATOM 2639 ND2 ASN A 164 -19.271 -4.476 2.994 1.00 1.68 N flip ATOM 0 H ASN A 164 -15.957 -5.046 6.393 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.554 -6.976 4.418 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -18.136 -5.366 5.537 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -17.393 -4.056 4.641 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -19.209 -3.538 3.390 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.916 -4.664 2.226 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.470 -4.689 3.560 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.577 -4.230 2.509 1.00 0.31 C ATOM 2648 C ASN A 165 -12.122 -4.450 2.928 1.00 0.26 C ATOM 2649 O ASN A 165 -11.256 -3.604 2.713 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.851 -2.756 2.192 1.00 0.35 C ATOM 2651 CG ASN A 165 -13.994 -2.506 0.699 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -13.335 -3.139 -0.121 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -14.887 -1.596 0.335 1.00 0.61 N ATOM 0 H ASN A 165 -14.224 -4.359 4.493 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.758 -4.807 1.602 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -14.762 -2.440 2.700 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -13.039 -2.145 2.585 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -15.044 -1.403 -0.654 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -15.417 -1.089 1.044 1.00 0.61 H new ATOM 2660 N ILE A 166 -11.876 -5.595 3.563 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.522 -5.998 3.959 1.00 0.22 C ATOM 2662 C ILE A 166 -10.211 -7.402 3.426 1.00 0.24 C ATOM 2663 O ILE A 166 -10.961 -8.343 3.674 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.363 -5.994 5.507 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.722 -4.617 6.076 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.950 -6.396 5.923 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.645 -4.532 7.588 1.00 0.26 C ATOM 0 H ILE A 166 -12.601 -6.266 3.817 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.824 -5.277 3.533 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.051 -6.733 5.917 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.052 -3.872 5.646 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.732 -4.357 5.759 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.873 -6.383 7.010 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.734 -7.399 5.556 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.232 -5.693 5.500 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.914 -3.526 7.910 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.336 -5.251 8.028 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.630 -4.758 7.914 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.104 -7.536 2.700 1.00 0.25 N ATOM 2680 CA VAL A 167 -8.727 -8.809 2.085 1.00 0.26 C ATOM 2681 C VAL A 167 -7.331 -9.245 2.533 1.00 0.26 C ATOM 2682 O VAL A 167 -6.640 -8.529 3.261 1.00 0.31 O ATOM 2683 CB VAL A 167 -8.758 -8.736 0.538 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.173 -8.518 0.024 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -7.818 -7.654 0.018 1.00 0.72 C ATOM 0 H VAL A 167 -8.448 -6.775 2.522 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.463 -9.542 2.416 1.00 0.26 H new ATOM 0 HB VAL A 167 -8.408 -9.696 0.157 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.161 -8.471 -1.065 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -10.808 -9.344 0.345 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -10.565 -7.583 0.423 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -7.861 -7.627 -1.071 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -8.121 -6.686 0.418 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -6.799 -7.875 0.335 1.00 0.72 H new ATOM 2695 N PHE A 168 -6.918 -10.419 2.085 1.00 0.26 N ATOM 2696 CA PHE A 168 -5.621 -10.974 2.443 1.00 0.28 C ATOM 2697 C PHE A 168 -4.880 -11.441 1.202 1.00 0.30 C ATOM 2698 O PHE A 168 -5.482 -11.605 0.141 1.00 0.42 O ATOM 2699 CB PHE A 168 -5.778 -12.139 3.420 1.00 0.33 C ATOM 2700 CG PHE A 168 -6.361 -11.745 4.743 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -5.662 -10.914 5.602 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -7.603 -12.213 5.131 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -6.194 -10.557 6.827 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -8.140 -11.859 6.351 1.00 0.45 C ATOM 2705 CZ PHE A 168 -7.434 -11.032 7.200 1.00 0.40 C ATOM 0 H PHE A 168 -7.469 -11.013 1.465 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.043 -10.187 2.927 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.414 -12.899 2.965 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -4.802 -12.596 3.585 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -4.691 -10.541 5.312 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.159 -12.863 4.471 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -5.640 -9.908 7.490 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -9.112 -12.229 6.641 1.00 0.45 H new ATOM 0 HZ PHE A 168 -7.852 -10.756 8.157 1.00 0.40 H new ATOM 2715 N SER A 169 -3.572 -11.622 1.344 1.00 0.48 N ATOM 2716 CA SER A 169 -2.730 -12.097 0.255 1.00 0.63 C ATOM 2717 C SER A 169 -3.222 -13.422 -0.302 1.00 0.50 C ATOM 2718 O SER A 169 -3.628 -14.322 0.439 1.00 0.66 O ATOM 2719 CB SER A 169 -1.290 -12.262 0.729 1.00 1.01 C ATOM 2720 OG SER A 169 -1.231 -12.990 1.946 1.00 1.75 O ATOM 0 H SER A 169 -3.068 -11.444 2.213 1.00 0.48 H new ATOM 0 HA SER A 169 -2.778 -11.349 -0.536 1.00 0.63 H new ATOM 0 HB2 SER A 169 -0.710 -12.779 -0.035 1.00 1.01 H new ATOM 0 HB3 SER A 169 -0.835 -11.281 0.866 1.00 1.01 H new ATOM 0 HG SER A 169 -1.461 -12.398 2.693 1.00 1.75 H new ATOM 2726 N VAL A 170 -3.180 -13.520 -1.613 1.00 0.46 N ATOM 2727 CA VAL A 170 -3.501 -14.745 -2.312 1.00 0.41 C ATOM 2728 C VAL A 170 -2.331 -15.107 -3.202 1.00 0.41 C ATOM 2729 O VAL A 170 -1.891 -14.277 -3.999 1.00 0.43 O ATOM 2730 CB VAL A 170 -4.753 -14.586 -3.196 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -5.168 -15.915 -3.810 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -5.888 -13.963 -2.405 1.00 0.57 C ATOM 0 H VAL A 170 -2.921 -12.748 -2.227 1.00 0.46 H new ATOM 0 HA VAL A 170 -3.700 -15.520 -1.572 1.00 0.41 H new ATOM 0 HB VAL A 170 -4.506 -13.914 -4.018 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -6.054 -15.769 -4.428 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.356 -16.301 -4.426 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -5.392 -16.628 -3.017 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -6.764 -13.859 -3.046 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.133 -14.602 -1.556 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -5.583 -12.981 -2.044 1.00 0.57 H new ATOM 2742 N PRO A 171 -1.783 -16.318 -3.045 1.00 0.47 N ATOM 2743 CA PRO A 171 -0.743 -16.836 -3.933 1.00 0.54 C ATOM 2744 C PRO A 171 -1.230 -16.891 -5.379 1.00 0.54 C ATOM 2745 O PRO A 171 -1.668 -17.937 -5.863 1.00 0.62 O ATOM 2746 CB PRO A 171 -0.471 -18.249 -3.398 1.00 0.66 C ATOM 2747 CG PRO A 171 -0.975 -18.237 -1.996 1.00 0.83 C ATOM 2748 CD PRO A 171 -2.121 -17.267 -1.974 1.00 0.57 C ATOM 0 HA PRO A 171 0.147 -16.207 -3.942 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -0.985 -19.002 -3.995 1.00 0.66 H new ATOM 0 HB3 PRO A 171 0.592 -18.486 -3.433 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -1.300 -19.231 -1.690 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -0.192 -17.931 -1.303 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -3.072 -17.764 -2.163 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.208 -16.769 -1.008 1.00 0.57 H new ATOM 2756 N THR A 172 -1.190 -15.743 -6.044 1.00 0.65 N ATOM 2757 CA THR A 172 -1.614 -15.647 -7.424 1.00 0.78 C ATOM 2758 C THR A 172 -0.645 -16.408 -8.304 1.00 0.73 C ATOM 2759 O THR A 172 0.530 -16.573 -7.958 1.00 0.72 O ATOM 2760 CB THR A 172 -1.702 -14.178 -7.902 1.00 1.07 C ATOM 2761 OG1 THR A 172 -2.314 -14.111 -9.197 1.00 1.78 O ATOM 2762 CG2 THR A 172 -0.325 -13.522 -7.963 1.00 0.81 C ATOM 0 H THR A 172 -0.865 -14.864 -5.642 1.00 0.65 H new ATOM 0 HA THR A 172 -2.612 -16.080 -7.496 1.00 0.78 H new ATOM 0 HB THR A 172 -2.310 -13.637 -7.177 1.00 1.07 H new ATOM 0 HG1 THR A 172 -2.655 -13.205 -9.351 1.00 1.78 H new ATOM 0 HG21 THR A 172 -0.428 -12.491 -8.303 1.00 0.81 H new ATOM 0 HG22 THR A 172 0.128 -13.534 -6.972 1.00 0.81 H new ATOM 0 HG23 THR A 172 0.309 -14.072 -8.658 1.00 0.81 H new ATOM 2770 N ASP A 173 -1.125 -16.863 -9.439 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.280 -17.605 -10.345 1.00 0.80 C ATOM 2772 C ASP A 173 0.253 -16.672 -11.399 1.00 0.77 C ATOM 2773 O ASP A 173 -0.322 -16.524 -12.475 1.00 0.86 O ATOM 2774 CB ASP A 173 -1.018 -18.769 -10.999 1.00 0.99 C ATOM 2775 CG ASP A 173 -0.122 -19.544 -11.949 1.00 1.34 C ATOM 2776 OD1 ASP A 173 0.860 -20.159 -11.480 1.00 1.94 O ATOM 2777 OD2 ASP A 173 -0.380 -19.526 -13.174 1.00 1.55 O ATOM 0 H ASP A 173 -2.086 -16.734 -9.754 1.00 0.75 H new ATOM 0 HA ASP A 173 0.541 -18.031 -9.769 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -1.395 -19.440 -10.227 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -1.883 -18.391 -11.543 1.00 0.99 H new ATOM 2782 N GLN A 174 1.348 -16.040 -11.047 1.00 0.78 N ATOM 2783 CA GLN A 174 2.096 -15.182 -11.934 1.00 0.94 C ATOM 2784 C GLN A 174 3.540 -15.162 -11.466 1.00 0.89 C ATOM 2785 O GLN A 174 3.861 -15.740 -10.429 1.00 1.21 O ATOM 2786 CB GLN A 174 1.533 -13.746 -11.993 1.00 1.17 C ATOM 2787 CG GLN A 174 0.371 -13.549 -12.959 1.00 1.69 C ATOM 2788 CD GLN A 174 0.481 -14.339 -14.259 1.00 2.98 C ATOM 2789 OE1 GLN A 174 1.692 -14.536 -14.760 1.00 3.60 O flip ATOM 2790 NE2 GLN A 174 -0.530 -14.755 -14.821 1.00 3.76 N flip ATOM 0 H GLN A 174 1.753 -16.110 -10.113 1.00 0.78 H new ATOM 0 HA GLN A 174 2.018 -15.581 -12.945 1.00 0.94 H new ATOM 0 HB2 GLN A 174 1.208 -13.458 -10.993 1.00 1.17 H new ATOM 0 HB3 GLN A 174 2.338 -13.067 -12.274 1.00 1.17 H new ATOM 0 HG2 GLN A 174 -0.554 -13.831 -12.456 1.00 1.69 H new ATOM 0 HG3 GLN A 174 0.292 -12.489 -13.200 1.00 1.69 H new ATOM 0 HE21 GLN A 174 -1.448 -14.587 -14.409 1.00 3.76 H new ATOM 0 HE22 GLN A 174 -0.451 -15.268 -15.699 1.00 3.76 H new ATOM 2799 N CYS A 175 4.391 -14.500 -12.228 1.00 0.79 N ATOM 2800 CA CYS A 175 5.820 -14.445 -11.950 1.00 0.85 C ATOM 2801 C CYS A 175 6.100 -14.015 -10.507 1.00 1.02 C ATOM 2802 O CYS A 175 6.618 -14.807 -9.714 1.00 2.06 O ATOM 2803 CB CYS A 175 6.463 -13.471 -12.930 1.00 0.90 C ATOM 2804 SG CYS A 175 5.646 -13.468 -14.561 1.00 1.07 S ATOM 0 H CYS A 175 4.112 -13.982 -13.061 1.00 0.79 H new ATOM 0 HA CYS A 175 6.245 -15.441 -12.072 1.00 0.85 H new ATOM 0 HB2 CYS A 175 6.430 -12.466 -12.510 1.00 0.90 H new ATOM 0 HB3 CYS A 175 7.514 -13.730 -13.056 1.00 0.90 H new ATOM 2809 N ILE A 176 5.724 -12.764 -10.184 1.00 0.60 N ATOM 2810 CA ILE A 176 5.961 -12.148 -8.866 1.00 0.56 C ATOM 2811 C ILE A 176 7.321 -12.573 -8.289 1.00 0.80 C ATOM 2812 O ILE A 176 7.456 -12.950 -7.121 1.00 1.52 O ATOM 2813 CB ILE A 176 4.777 -12.413 -7.876 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.894 -11.494 -6.653 1.00 0.46 C ATOM 2815 CG2 ILE A 176 4.692 -13.877 -7.454 1.00 0.81 C ATOM 2816 CD1 ILE A 176 3.672 -11.500 -5.740 1.00 0.65 C ATOM 0 H ILE A 176 5.242 -12.146 -10.837 1.00 0.60 H new ATOM 0 HA ILE A 176 6.001 -11.068 -9.008 1.00 0.56 H new ATOM 0 HB ILE A 176 3.850 -12.185 -8.403 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.767 -11.792 -6.073 1.00 0.46 H new ATOM 0 HG13 ILE A 176 5.071 -10.475 -6.996 1.00 0.46 H new ATOM 0 HG21 ILE A 176 3.856 -14.010 -6.768 1.00 0.81 H new ATOM 0 HG22 ILE A 176 4.542 -14.501 -8.335 1.00 0.81 H new ATOM 0 HG23 ILE A 176 5.618 -14.167 -6.958 1.00 0.81 H new ATOM 0 HD11 ILE A 176 3.841 -10.824 -4.902 1.00 0.65 H new ATOM 0 HD12 ILE A 176 2.797 -11.172 -6.301 1.00 0.65 H new ATOM 0 HD13 ILE A 176 3.504 -12.509 -5.364 1.00 0.65 H new