USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 773 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: B 67 SER OG : rot 180:sc= -0.541 USER MOD Set 1.2: B 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 65 SER OG : rot 58:sc= 0.374 USER MOD Set 2.2: B 78 ASN : amide:sc= -0.58 K(o=-0.21,f=-3.2!) USER MOD Set 3.1: A 20 TYR OH : rot -92:sc= 1.6 USER MOD Set 3.2: B 97 LYS NZ :NH3+ -150:sc= 1.26 (180deg=-0.258) USER MOD Single : A 5 SER OG : rot -21:sc= 0.203 USER MOD Single : A 7 GLN : amide:sc= -1.58! C(o=-1.6!,f=-1.6!) USER MOD Single : B 34 TYR OH : rot -56:sc= 0.642 USER MOD Single : B 37 LYS NZ :NH3+ -109:sc= 0.387 (180deg=0.0255) USER MOD Single : B 38 MET CE :methyl -126:sc= -0.0389 (180deg=-1.89!) USER MOD Single : B 39 LYS NZ :NH3+ 172:sc= -0.0262 (180deg=-0.163) USER MOD Single : B 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0402) USER MOD Single : B 46 TYR OH : rot -141:sc= 0.941 USER MOD Single : B 47 LYS NZ :NH3+ -172:sc= 2.03 (180deg=1.44) USER MOD Single : B 54 ASN :FLIP amide:sc= -0.0203 F(o=-1.2!,f=-0.02) USER MOD Single : B 55 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.06) USER MOD Single : B 68 TYR OH : rot 180:sc= -0.352 USER MOD Single : B 69 ASN : amide:sc= -4.92! C(o=-4.9!,f=-13!) USER MOD Single : B 73 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.3) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -1.07 F(o=-2.3!,f=-1.1) USER MOD Single : B 100 HIS : no HE2:sc= -0.452 K(o=-0.45,f=-6.5!) USER MOD Single : B 103 LYS NZ :NH3+ -148:sc= 0.688 (180deg=0.211) USER MOD Single : B 106 THR OG1 : rot 60:sc= 0.639 USER MOD Single : B 108 TYR OH : rot 30:sc= -0.0135 USER MOD Single : B 110 TYR OH : rot -154:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.044 14.023 -6.996 1.00 0.00 N ATOM 60 CA SER A 5 7.132 12.931 -6.697 1.00 0.00 C ATOM 61 C SER A 5 7.076 11.945 -7.860 1.00 0.00 C ATOM 62 O SER A 5 6.812 12.329 -9.001 1.00 0.00 O ATOM 63 CB SER A 5 5.736 13.472 -6.396 1.00 0.00 C ATOM 64 OG SER A 5 5.324 14.406 -7.378 1.00 0.00 O ATOM 0 HA SER A 5 7.502 12.406 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.025 12.647 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.731 13.947 -5.415 1.00 0.00 H new ATOM 0 HG SER A 5 6.110 14.757 -7.846 1.00 0.00 H new ATOM 70 N VAL A 6 7.319 10.681 -7.564 1.00 0.00 N ATOM 71 CA VAL A 6 7.343 9.643 -8.588 1.00 0.00 C ATOM 72 C VAL A 6 6.214 8.642 -8.384 1.00 0.00 C ATOM 73 O VAL A 6 5.894 8.272 -7.258 1.00 0.00 O ATOM 74 CB VAL A 6 8.688 8.889 -8.603 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.791 9.784 -9.135 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.040 8.379 -7.213 1.00 0.00 C ATOM 0 H VAL A 6 7.504 10.344 -6.619 1.00 0.00 H new ATOM 0 HA VAL A 6 7.211 10.147 -9.546 1.00 0.00 H new ATOM 0 HB VAL A 6 8.588 8.029 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.734 9.237 -9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.548 10.096 -10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.885 10.664 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.993 7.851 -7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.118 9.221 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.261 7.699 -6.867 1.00 0.00 H new ATOM 86 N GLN A 7 5.615 8.207 -9.478 1.00 0.00 N ATOM 87 CA GLN A 7 4.521 7.252 -9.419 1.00 0.00 C ATOM 88 C GLN A 7 5.068 5.831 -9.385 1.00 0.00 C ATOM 89 O GLN A 7 6.040 5.516 -10.072 1.00 0.00 O ATOM 90 CB GLN A 7 3.562 7.435 -10.609 1.00 0.00 C ATOM 91 CG GLN A 7 4.113 6.982 -11.960 1.00 0.00 C ATOM 92 CD GLN A 7 5.287 7.813 -12.449 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.109 8.822 -13.131 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.494 7.386 -12.116 1.00 0.00 N ATOM 0 H GLN A 7 5.868 8.501 -10.421 1.00 0.00 H new ATOM 0 HA GLN A 7 3.956 7.433 -8.505 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.645 6.883 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.291 8.489 -10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.423 5.940 -11.885 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.315 7.025 -12.701 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.599 6.545 -11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.320 7.898 -12.426 1.00 0.00 H new ATOM 103 N ILE A 8 4.467 4.984 -8.568 1.00 0.00 N ATOM 104 CA ILE A 8 4.923 3.606 -8.450 1.00 0.00 C ATOM 105 C ILE A 8 3.885 2.650 -9.038 1.00 0.00 C ATOM 106 O ILE A 8 2.757 2.582 -8.554 1.00 0.00 O ATOM 107 CB ILE A 8 5.181 3.203 -6.980 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.710 4.385 -6.156 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.168 2.043 -6.924 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.040 4.923 -6.628 1.00 0.00 C ATOM 0 H ILE A 8 3.668 5.221 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 8 5.861 3.538 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 8 4.231 2.893 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.975 5.190 -6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.805 4.074 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.344 1.765 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.757 1.189 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.109 2.344 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.342 5.756 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.791 4.135 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.948 5.267 -7.658 1.00 0.00 H new ATOM 122 N PRO A 9 4.245 1.911 -10.098 1.00 0.00 N ATOM 123 CA PRO A 9 3.337 0.950 -10.727 1.00 0.00 C ATOM 124 C PRO A 9 3.099 -0.284 -9.856 1.00 0.00 C ATOM 125 O PRO A 9 4.043 -0.911 -9.368 1.00 0.00 O ATOM 126 CB PRO A 9 4.058 0.567 -12.021 1.00 0.00 C ATOM 127 CG PRO A 9 5.503 0.816 -11.747 1.00 0.00 C ATOM 128 CD PRO A 9 5.558 1.959 -10.769 1.00 0.00 C ATOM 0 HA PRO A 9 2.346 1.375 -10.890 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.879 -0.477 -12.278 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.707 1.167 -12.861 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.979 -0.073 -11.333 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.035 1.064 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.375 1.838 -10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.714 2.912 -11.275 1.00 0.00 H new ATOM 136 N VAL A 10 1.833 -0.626 -9.660 1.00 0.00 N ATOM 137 CA VAL A 10 1.464 -1.773 -8.840 1.00 0.00 C ATOM 138 C VAL A 10 1.516 -3.062 -9.650 1.00 0.00 C ATOM 139 O VAL A 10 1.073 -3.100 -10.798 1.00 0.00 O ATOM 140 CB VAL A 10 0.041 -1.622 -8.258 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.318 -2.807 -7.378 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.087 -0.329 -7.478 1.00 0.00 C ATOM 0 H VAL A 10 1.041 -0.123 -10.059 1.00 0.00 H new ATOM 0 HA VAL A 10 2.185 -1.817 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.658 -1.593 -9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.325 -2.674 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.278 -3.723 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.391 -2.875 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.097 -0.244 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.630 -0.327 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.114 0.515 -8.138 1.00 0.00 H new ATOM 152 N VAL A 11 2.063 -4.111 -9.055 1.00 0.00 N ATOM 153 CA VAL A 11 2.036 -5.426 -9.665 1.00 0.00 C ATOM 154 C VAL A 11 0.940 -6.259 -9.015 1.00 0.00 C ATOM 155 O VAL A 11 1.012 -6.575 -7.827 1.00 0.00 O ATOM 156 CB VAL A 11 3.390 -6.149 -9.523 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.329 -7.528 -10.161 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.508 -5.321 -10.138 1.00 0.00 C ATOM 0 H VAL A 11 2.531 -4.074 -8.149 1.00 0.00 H new ATOM 0 HA VAL A 11 1.835 -5.302 -10.729 1.00 0.00 H new ATOM 0 HB VAL A 11 3.603 -6.272 -8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.294 -8.023 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.558 -8.122 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.091 -7.429 -11.220 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.455 -5.849 -10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.303 -5.162 -11.197 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.568 -4.358 -9.631 1.00 0.00 H new ATOM 168 N GLU A 12 -0.092 -6.579 -9.779 1.00 0.00 N ATOM 169 CA GLU A 12 -1.211 -7.337 -9.248 1.00 0.00 C ATOM 170 C GLU A 12 -1.037 -8.819 -9.526 1.00 0.00 C ATOM 171 O GLU A 12 -1.166 -9.279 -10.662 1.00 0.00 O ATOM 172 CB GLU A 12 -2.531 -6.823 -9.815 1.00 0.00 C ATOM 173 CG GLU A 12 -2.766 -5.358 -9.505 1.00 0.00 C ATOM 174 CD GLU A 12 -4.177 -4.908 -9.798 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.478 -4.599 -10.969 1.00 0.00 O ATOM 176 OE2 GLU A 12 -4.993 -4.852 -8.852 1.00 0.00 O ATOM 0 H GLU A 12 -0.177 -6.327 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.235 -7.199 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.539 -6.968 -10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.352 -7.413 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.544 -5.175 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.070 -4.754 -10.087 1.00 0.00 H new ATOM 183 N VAL A 13 -0.741 -9.550 -8.470 1.00 0.00 N ATOM 184 CA VAL A 13 -0.446 -10.974 -8.566 1.00 0.00 C ATOM 185 C VAL A 13 -1.299 -11.792 -7.599 1.00 0.00 C ATOM 186 O VAL A 13 -2.199 -11.254 -6.950 1.00 0.00 O ATOM 187 CB VAL A 13 1.046 -11.254 -8.287 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.890 -10.936 -9.509 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.526 -10.446 -7.089 1.00 0.00 C ATOM 0 H VAL A 13 -0.697 -9.179 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.684 -11.275 -9.586 1.00 0.00 H new ATOM 0 HB VAL A 13 1.156 -12.314 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.938 -11.140 -9.291 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.566 -11.555 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.772 -9.884 -9.769 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.580 -10.656 -6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.398 -9.383 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.944 -10.720 -6.209 1.00 0.00 H new ATOM 199 N ASP A 14 -1.017 -13.088 -7.502 1.00 0.00 N ATOM 200 CA ASP A 14 -1.726 -13.956 -6.573 1.00 0.00 C ATOM 201 C ASP A 14 -1.148 -13.792 -5.189 1.00 0.00 C ATOM 202 O ASP A 14 -1.860 -13.876 -4.188 1.00 0.00 O ATOM 203 CB ASP A 14 -1.622 -15.427 -6.987 1.00 0.00 C ATOM 204 CG ASP A 14 -2.543 -15.786 -8.130 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.722 -16.097 -7.869 1.00 0.00 O ATOM 206 OD2 ASP A 14 -2.092 -15.762 -9.295 1.00 0.00 O ATOM 0 H ASP A 14 -0.302 -13.559 -8.057 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.778 -13.670 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.594 -15.646 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.854 -16.057 -6.129 1.00 0.00 H new ATOM 211 N GLU A 15 0.152 -13.547 -5.154 1.00 0.00 N ATOM 212 CA GLU A 15 0.878 -13.411 -3.911 1.00 0.00 C ATOM 213 C GLU A 15 2.319 -13.024 -4.198 1.00 0.00 C ATOM 214 O GLU A 15 2.728 -12.954 -5.358 1.00 0.00 O ATOM 215 CB GLU A 15 0.813 -14.720 -3.133 1.00 0.00 C ATOM 216 CG GLU A 15 1.583 -15.861 -3.776 1.00 0.00 C ATOM 217 CD GLU A 15 1.397 -17.170 -3.042 1.00 0.00 C ATOM 218 OE1 GLU A 15 2.133 -17.418 -2.067 1.00 0.00 O ATOM 219 OE2 GLU A 15 0.518 -17.961 -3.442 1.00 0.00 O ATOM 0 H GLU A 15 0.729 -13.438 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 15 0.424 -12.626 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.202 -14.553 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.231 -15.015 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.257 -15.978 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.643 -15.610 -3.802 1.00 0.00 H new ATOM 226 N LEU A 16 3.083 -12.780 -3.150 1.00 0.00 N ATOM 227 CA LEU A 16 4.457 -12.346 -3.301 1.00 0.00 C ATOM 228 C LEU A 16 5.363 -13.523 -3.645 1.00 0.00 C ATOM 229 O LEU A 16 5.189 -14.627 -3.123 1.00 0.00 O ATOM 230 CB LEU A 16 4.960 -11.677 -2.016 1.00 0.00 C ATOM 231 CG LEU A 16 4.274 -10.365 -1.611 1.00 0.00 C ATOM 232 CD1 LEU A 16 4.231 -9.393 -2.774 1.00 0.00 C ATOM 233 CD2 LEU A 16 2.879 -10.607 -1.070 1.00 0.00 C ATOM 0 H LEU A 16 2.773 -12.876 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 16 4.487 -11.623 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.849 -12.387 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.027 -11.483 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 16 4.869 -9.922 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.740 -8.472 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.247 -9.170 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.675 -9.838 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.426 -9.655 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.271 -11.090 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.936 -11.250 -0.192 1.00 0.00 H new ATOM 245 N PRO A 17 6.332 -13.298 -4.544 1.00 0.00 N ATOM 246 CA PRO A 17 7.344 -14.298 -4.886 1.00 0.00 C ATOM 247 C PRO A 17 8.308 -14.546 -3.728 1.00 0.00 C ATOM 248 O PRO A 17 8.247 -13.862 -2.702 1.00 0.00 O ATOM 249 CB PRO A 17 8.082 -13.680 -6.077 1.00 0.00 C ATOM 250 CG PRO A 17 7.852 -12.214 -5.960 1.00 0.00 C ATOM 251 CD PRO A 17 6.509 -12.048 -5.307 1.00 0.00 C ATOM 0 HA PRO A 17 6.901 -15.268 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.146 -13.915 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.697 -14.065 -7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.635 -11.744 -5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.869 -11.738 -6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.486 -11.175 -4.655 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.719 -11.915 -6.046 1.00 0.00 H new ATOM 259 N GLU A 18 9.184 -15.529 -3.889 1.00 0.00 N ATOM 260 CA GLU A 18 10.147 -15.875 -2.851 1.00 0.00 C ATOM 261 C GLU A 18 11.000 -14.669 -2.475 1.00 0.00 C ATOM 262 O GLU A 18 11.404 -13.884 -3.335 1.00 0.00 O ATOM 263 CB GLU A 18 11.041 -17.020 -3.312 1.00 0.00 C ATOM 264 CG GLU A 18 10.286 -18.311 -3.561 1.00 0.00 C ATOM 265 CD GLU A 18 11.191 -19.420 -4.041 1.00 0.00 C ATOM 266 OE1 GLU A 18 11.388 -19.540 -5.266 1.00 0.00 O ATOM 267 OE2 GLU A 18 11.714 -20.177 -3.197 1.00 0.00 O ATOM 0 H GLU A 18 9.248 -16.102 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 18 9.590 -16.193 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.553 -16.725 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.810 -17.197 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.790 -18.622 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.505 -18.136 -4.301 1.00 0.00 H new ATOM 274 N GLY A 19 11.252 -14.522 -1.184 1.00 0.00 N ATOM 275 CA GLY A 19 12.023 -13.398 -0.698 1.00 0.00 C ATOM 276 C GLY A 19 11.163 -12.425 0.077 1.00 0.00 C ATOM 277 O GLY A 19 11.661 -11.665 0.907 1.00 0.00 O ATOM 0 H GLY A 19 10.934 -15.166 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.830 -13.759 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.487 -12.884 -1.539 1.00 0.00 H new ATOM 281 N TYR A 20 9.864 -12.462 -0.183 1.00 0.00 N ATOM 282 CA TYR A 20 8.924 -11.568 0.473 1.00 0.00 C ATOM 283 C TYR A 20 8.315 -12.212 1.712 1.00 0.00 C ATOM 284 O TYR A 20 8.428 -13.422 1.918 1.00 0.00 O ATOM 285 CB TYR A 20 7.813 -11.174 -0.492 1.00 0.00 C ATOM 286 CG TYR A 20 8.232 -10.175 -1.544 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.234 -8.819 -1.261 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.613 -10.580 -2.818 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.602 -7.892 -2.211 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.984 -9.656 -3.775 1.00 0.00 C ATOM 291 CZ TYR A 20 8.976 -8.314 -3.468 1.00 0.00 C ATOM 292 OH TYR A 20 9.347 -7.390 -4.418 1.00 0.00 O ATOM 0 H TYR A 20 9.436 -13.106 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 20 9.474 -10.679 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.442 -12.071 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.983 -10.758 0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.942 -8.482 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.619 -11.632 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.597 -6.839 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.279 -9.985 -4.760 1.00 0.00 H new ATOM 0 HH TYR A 20 8.564 -7.133 -4.948 1.00 0.00 H new ATOM 302 N ASP A 21 7.666 -11.394 2.529 1.00 0.00 N ATOM 303 CA ASP A 21 7.032 -11.869 3.750 1.00 0.00 C ATOM 304 C ASP A 21 5.562 -11.479 3.770 1.00 0.00 C ATOM 305 O ASP A 21 5.208 -10.335 4.081 1.00 0.00 O ATOM 306 CB ASP A 21 7.737 -11.302 4.984 1.00 0.00 C ATOM 307 CG ASP A 21 7.133 -11.817 6.275 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.420 -12.974 6.649 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.371 -11.071 6.924 1.00 0.00 O ATOM 0 H ASP A 21 7.565 -10.392 2.366 1.00 0.00 H new ATOM 0 HA ASP A 21 7.112 -12.956 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.794 -11.565 4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.678 -10.214 4.966 1.00 0.00 H new ATOM 314 N ARG A 22 4.709 -12.424 3.418 1.00 0.00 N ATOM 315 CA ARG A 22 3.280 -12.177 3.370 1.00 0.00 C ATOM 316 C ARG A 22 2.609 -12.651 4.652 1.00 0.00 C ATOM 317 O ARG A 22 3.045 -13.628 5.261 1.00 0.00 O ATOM 318 CB ARG A 22 2.657 -12.870 2.155 1.00 0.00 C ATOM 319 CG ARG A 22 1.145 -12.722 2.088 1.00 0.00 C ATOM 320 CD ARG A 22 0.586 -13.104 0.730 1.00 0.00 C ATOM 321 NE ARG A 22 0.961 -14.458 0.335 1.00 0.00 N ATOM 322 CZ ARG A 22 0.250 -15.548 0.620 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.857 -15.457 1.349 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.651 -16.730 0.175 1.00 0.00 N ATOM 0 H ARG A 22 4.983 -13.372 3.161 1.00 0.00 H new ATOM 0 HA ARG A 22 3.122 -11.103 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.096 -12.459 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.911 -13.930 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.687 -13.347 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.873 -11.691 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.501 -13.023 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.944 -12.398 -0.019 1.00 0.00 H new ATOM 0 HE ARG A 22 1.825 -14.578 -0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.167 -14.549 1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.397 -16.295 1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.501 -16.803 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.109 -17.567 0.391 1.00 0.00 H new ATOM 491 N GLU B 33 -13.035 0.188 2.661 1.00 0.00 N ATOM 492 CA GLU B 33 -12.459 0.367 3.980 1.00 0.00 C ATOM 493 C GLU B 33 -11.125 -0.352 4.046 1.00 0.00 C ATOM 494 O GLU B 33 -11.067 -1.577 4.164 1.00 0.00 O ATOM 495 CB GLU B 33 -13.396 -0.166 5.066 1.00 0.00 C ATOM 496 CG GLU B 33 -12.856 0.014 6.476 1.00 0.00 C ATOM 497 CD GLU B 33 -13.819 -0.465 7.542 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.820 0.237 7.800 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.575 -1.538 8.132 1.00 0.00 O ATOM 0 HA GLU B 33 -12.312 1.433 4.156 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.357 0.342 4.986 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.579 -1.226 4.888 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.916 -0.530 6.572 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.633 1.068 6.642 1.00 0.00 H new ATOM 506 N TYR B 34 -10.064 0.406 3.906 1.00 0.00 N ATOM 507 CA TYR B 34 -8.725 -0.136 4.010 1.00 0.00 C ATOM 508 C TYR B 34 -8.266 -0.136 5.452 1.00 0.00 C ATOM 509 O TYR B 34 -8.730 0.663 6.268 1.00 0.00 O ATOM 510 CB TYR B 34 -7.741 0.666 3.165 1.00 0.00 C ATOM 511 CG TYR B 34 -8.046 0.636 1.688 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.948 -0.545 0.966 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.440 1.786 1.021 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.236 -0.578 -0.385 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.732 1.763 -0.326 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.631 0.580 -1.027 1.00 0.00 C ATOM 517 OH TYR B 34 -8.928 0.553 -2.371 1.00 0.00 O ATOM 0 H TYR B 34 -10.100 1.408 3.718 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.752 -1.160 3.638 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.742 1.701 3.506 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.736 0.278 3.327 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.642 -1.451 1.467 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.519 2.715 1.566 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.153 -1.503 -0.936 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.039 2.668 -0.830 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.158 0.207 -2.869 1.00 0.00 H new ATOM 527 N GLU B 35 -7.362 -1.042 5.755 1.00 0.00 N ATOM 528 CA GLU B 35 -6.767 -1.117 7.064 1.00 0.00 C ATOM 529 C GLU B 35 -5.262 -1.247 6.906 1.00 0.00 C ATOM 530 O GLU B 35 -4.774 -2.216 6.326 1.00 0.00 O ATOM 531 CB GLU B 35 -7.341 -2.300 7.835 1.00 0.00 C ATOM 532 CG GLU B 35 -7.129 -2.207 9.335 1.00 0.00 C ATOM 533 CD GLU B 35 -7.924 -3.243 10.097 1.00 0.00 C ATOM 534 OE1 GLU B 35 -9.164 -3.101 10.183 1.00 0.00 O ATOM 535 OE2 GLU B 35 -7.321 -4.203 10.610 1.00 0.00 O ATOM 0 H GLU B 35 -7.022 -1.745 5.099 1.00 0.00 H new ATOM 0 HA GLU B 35 -6.991 -0.213 7.630 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.409 -2.372 7.631 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.884 -3.219 7.468 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.069 -2.331 9.557 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.412 -1.212 9.678 1.00 0.00 H new ATOM 542 N VAL B 36 -4.543 -0.252 7.393 1.00 0.00 N ATOM 543 CA VAL B 36 -3.105 -0.169 7.190 1.00 0.00 C ATOM 544 C VAL B 36 -2.325 -0.599 8.433 1.00 0.00 C ATOM 545 O VAL B 36 -2.620 -0.173 9.553 1.00 0.00 O ATOM 546 CB VAL B 36 -2.687 1.259 6.760 1.00 0.00 C ATOM 547 CG1 VAL B 36 -3.389 2.310 7.605 1.00 0.00 C ATOM 548 CG2 VAL B 36 -1.177 1.436 6.838 1.00 0.00 C ATOM 0 H VAL B 36 -4.934 0.517 7.937 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.857 -0.863 6.387 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.992 1.393 5.722 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -3.078 3.304 7.282 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.468 2.211 7.486 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.125 2.170 8.653 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.913 2.448 6.530 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -0.844 1.269 7.862 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.692 0.718 6.177 1.00 0.00 H new ATOM 558 N LYS B 37 -1.334 -1.454 8.216 1.00 0.00 N ATOM 559 CA LYS B 37 -0.469 -1.935 9.275 1.00 0.00 C ATOM 560 C LYS B 37 0.971 -1.641 8.892 1.00 0.00 C ATOM 561 O LYS B 37 1.298 -1.588 7.707 1.00 0.00 O ATOM 562 CB LYS B 37 -0.642 -3.445 9.505 1.00 0.00 C ATOM 563 CG LYS B 37 -2.041 -3.874 9.937 1.00 0.00 C ATOM 564 CD LYS B 37 -3.011 -3.944 8.767 1.00 0.00 C ATOM 565 CE LYS B 37 -4.368 -4.474 9.198 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.314 -5.909 9.579 1.00 0.00 N ATOM 0 H LYS B 37 -1.110 -1.832 7.296 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.735 -1.427 10.202 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.385 -3.969 8.585 1.00 0.00 H new ATOM 0 HB3 LYS B 37 0.071 -3.766 10.264 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -1.986 -4.850 10.420 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.421 -3.172 10.679 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.129 -2.952 8.331 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.599 -4.587 7.989 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.733 -3.889 10.042 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -5.083 -4.342 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.799 -6.479 8.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.322 -6.212 9.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.784 -6.042 10.497 1.00 0.00 H new ATOM 580 N MET B 38 1.825 -1.452 9.876 1.00 0.00 N ATOM 581 CA MET B 38 3.213 -1.108 9.613 1.00 0.00 C ATOM 582 C MET B 38 4.142 -2.046 10.371 1.00 0.00 C ATOM 583 O MET B 38 3.895 -2.359 11.533 1.00 0.00 O ATOM 584 CB MET B 38 3.466 0.341 10.013 1.00 0.00 C ATOM 585 CG MET B 38 4.313 1.084 9.009 1.00 0.00 C ATOM 586 SD MET B 38 4.054 2.862 9.037 1.00 0.00 S ATOM 587 CE MET B 38 4.693 3.270 7.419 1.00 0.00 C ATOM 0 H MET B 38 1.586 -1.530 10.865 1.00 0.00 H new ATOM 0 HA MET B 38 3.415 -1.219 8.548 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.511 0.854 10.127 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.958 0.364 10.985 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.364 0.874 9.205 1.00 0.00 H new ATOM 0 HG3 MET B 38 4.094 0.708 8.010 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.457 4.041 7.514 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.129 2.380 6.965 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.882 3.638 6.790 1.00 0.00 H new ATOM 597 N LYS B 39 5.205 -2.498 9.718 1.00 0.00 N ATOM 598 CA LYS B 39 6.091 -3.493 10.316 1.00 0.00 C ATOM 599 C LYS B 39 7.542 -3.220 9.922 1.00 0.00 C ATOM 600 O LYS B 39 7.840 -2.991 8.753 1.00 0.00 O ATOM 601 CB LYS B 39 5.652 -4.900 9.874 1.00 0.00 C ATOM 602 CG LYS B 39 6.061 -6.020 10.824 1.00 0.00 C ATOM 603 CD LYS B 39 7.523 -6.402 10.671 1.00 0.00 C ATOM 604 CE LYS B 39 7.942 -7.445 11.697 1.00 0.00 C ATOM 605 NZ LYS B 39 7.131 -8.689 11.599 1.00 0.00 N ATOM 0 H LYS B 39 5.475 -2.196 8.782 1.00 0.00 H new ATOM 0 HA LYS B 39 6.026 -3.431 11.402 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.567 -4.911 9.766 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.072 -5.105 8.889 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.875 -5.707 11.852 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.438 -6.895 10.640 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.695 -6.790 9.667 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.145 -5.513 10.780 1.00 0.00 H new ATOM 0 HE2 LYS B 39 8.995 -7.688 11.556 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.843 -7.027 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.537 -9.418 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 6.153 -8.490 11.891 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 7.136 -9.030 10.617 1.00 0.00 H new ATOM 619 N ARG B 40 8.436 -3.239 10.904 1.00 0.00 N ATOM 620 CA ARG B 40 9.847 -2.931 10.674 1.00 0.00 C ATOM 621 C ARG B 40 10.665 -4.201 10.463 1.00 0.00 C ATOM 622 O ARG B 40 10.434 -5.215 11.121 1.00 0.00 O ATOM 623 CB ARG B 40 10.430 -2.144 11.856 1.00 0.00 C ATOM 624 CG ARG B 40 10.093 -0.656 11.868 1.00 0.00 C ATOM 625 CD ARG B 40 8.600 -0.395 11.997 1.00 0.00 C ATOM 626 NE ARG B 40 8.045 -0.945 13.233 1.00 0.00 N ATOM 627 CZ ARG B 40 6.814 -0.695 13.677 1.00 0.00 C ATOM 628 NH1 ARG B 40 6.029 0.158 13.030 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.380 -1.276 14.787 1.00 0.00 N ATOM 0 H ARG B 40 8.209 -3.465 11.872 1.00 0.00 H new ATOM 0 HA ARG B 40 9.903 -2.324 9.771 1.00 0.00 H new ATOM 0 HB2 ARG B 40 10.070 -2.590 12.783 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.514 -2.256 11.848 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.615 -0.176 12.696 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.460 -0.197 10.950 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.417 0.679 11.966 1.00 0.00 H new ATOM 0 HD3 ARG B 40 8.082 -0.831 11.143 1.00 0.00 H new ATOM 0 HE ARG B 40 8.638 -1.559 13.791 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.368 0.625 12.189 1.00 0.00 H new ATOM 0 HH12 ARG B 40 5.087 0.346 13.374 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.988 -1.914 15.300 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.438 -1.085 15.128 1.00 0.00 H new ATOM 643 N PHE B 41 11.620 -4.137 9.545 1.00 0.00 N ATOM 644 CA PHE B 41 12.521 -5.256 9.292 1.00 0.00 C ATOM 645 C PHE B 41 13.968 -4.847 9.512 1.00 0.00 C ATOM 646 O PHE B 41 14.350 -3.703 9.257 1.00 0.00 O ATOM 647 CB PHE B 41 12.361 -5.792 7.868 1.00 0.00 C ATOM 648 CG PHE B 41 11.140 -6.640 7.667 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.884 -6.068 7.570 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.254 -8.017 7.574 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.765 -6.853 7.384 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.137 -8.808 7.389 1.00 0.00 C ATOM 653 CZ PHE B 41 8.890 -8.225 7.294 1.00 0.00 C ATOM 0 H PHE B 41 11.792 -3.319 8.960 1.00 0.00 H new ATOM 0 HA PHE B 41 12.257 -6.045 9.996 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.324 -4.950 7.176 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.244 -6.378 7.610 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.778 -4.995 7.641 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.228 -8.478 7.647 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.790 -6.394 7.309 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.239 -9.881 7.319 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.014 -8.840 7.150 1.00 0.00 H new ATOM 663 N LYS B 42 14.772 -5.790 9.975 1.00 0.00 N ATOM 664 CA LYS B 42 16.189 -5.551 10.204 1.00 0.00 C ATOM 665 C LYS B 42 17.019 -6.488 9.341 1.00 0.00 C ATOM 666 O LYS B 42 16.926 -7.709 9.476 1.00 0.00 O ATOM 667 CB LYS B 42 16.537 -5.770 11.677 1.00 0.00 C ATOM 668 CG LYS B 42 15.736 -4.909 12.634 1.00 0.00 C ATOM 669 CD LYS B 42 16.054 -5.258 14.076 1.00 0.00 C ATOM 670 CE LYS B 42 15.193 -4.468 15.047 1.00 0.00 C ATOM 671 NZ LYS B 42 15.488 -3.014 15.000 1.00 0.00 N ATOM 0 H LYS B 42 14.465 -6.736 10.201 1.00 0.00 H new ATOM 0 HA LYS B 42 16.413 -4.518 9.938 1.00 0.00 H new ATOM 0 HB2 LYS B 42 16.376 -6.819 11.926 1.00 0.00 H new ATOM 0 HB3 LYS B 42 17.598 -5.567 11.823 1.00 0.00 H new ATOM 0 HG2 LYS B 42 15.957 -3.857 12.454 1.00 0.00 H new ATOM 0 HG3 LYS B 42 14.671 -5.048 12.449 1.00 0.00 H new ATOM 0 HD2 LYS B 42 15.898 -6.325 14.235 1.00 0.00 H new ATOM 0 HD3 LYS B 42 17.106 -5.057 14.276 1.00 0.00 H new ATOM 0 HE2 LYS B 42 14.141 -4.632 14.814 1.00 0.00 H new ATOM 0 HE3 LYS B 42 15.356 -4.838 16.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 14.966 -2.529 15.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 16.509 -2.862 15.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 15.196 -2.630 14.078 1.00 0.00 H new ATOM 685 N GLY B 43 17.820 -5.914 8.453 1.00 0.00 N ATOM 686 CA GLY B 43 18.669 -6.714 7.590 1.00 0.00 C ATOM 687 C GLY B 43 17.874 -7.572 6.625 1.00 0.00 C ATOM 688 O GLY B 43 18.076 -8.786 6.544 1.00 0.00 O ATOM 0 H GLY B 43 17.897 -4.906 8.314 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.330 -6.056 7.026 1.00 0.00 H new ATOM 0 HA3 GLY B 43 19.303 -7.355 8.203 1.00 0.00 H new ATOM 692 N ALA B 44 16.956 -6.947 5.905 1.00 0.00 N ATOM 693 CA ALA B 44 16.148 -7.641 4.920 1.00 0.00 C ATOM 694 C ALA B 44 16.116 -6.852 3.619 1.00 0.00 C ATOM 695 O ALA B 44 16.598 -5.718 3.567 1.00 0.00 O ATOM 696 CB ALA B 44 14.738 -7.862 5.452 1.00 0.00 C ATOM 0 H ALA B 44 16.752 -5.951 5.987 1.00 0.00 H new ATOM 0 HA ALA B 44 16.594 -8.616 4.722 1.00 0.00 H new ATOM 0 HB1 ALA B 44 14.144 -8.384 4.702 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.782 -8.461 6.361 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.278 -6.899 5.674 1.00 0.00 H new ATOM 702 N ALA B 45 15.555 -7.447 2.572 1.00 0.00 N ATOM 703 CA ALA B 45 15.430 -6.775 1.283 1.00 0.00 C ATOM 704 C ALA B 45 14.525 -5.551 1.397 1.00 0.00 C ATOM 705 O ALA B 45 14.525 -4.674 0.533 1.00 0.00 O ATOM 706 CB ALA B 45 14.892 -7.741 0.241 1.00 0.00 C ATOM 0 H ALA B 45 15.179 -8.395 2.590 1.00 0.00 H new ATOM 0 HA ALA B 45 16.418 -6.437 0.971 1.00 0.00 H new ATOM 0 HB1 ALA B 45 14.802 -7.230 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.575 -8.584 0.140 1.00 0.00 H new ATOM 0 HB3 ALA B 45 13.912 -8.103 0.552 1.00 0.00 H new ATOM 712 N TYR B 46 13.760 -5.510 2.476 1.00 0.00 N ATOM 713 CA TYR B 46 12.890 -4.398 2.782 1.00 0.00 C ATOM 714 C TYR B 46 13.070 -4.019 4.243 1.00 0.00 C ATOM 715 O TYR B 46 13.313 -4.880 5.088 1.00 0.00 O ATOM 716 CB TYR B 46 11.432 -4.769 2.483 1.00 0.00 C ATOM 717 CG TYR B 46 11.157 -6.251 2.601 1.00 0.00 C ATOM 718 CD1 TYR B 46 11.050 -6.863 3.843 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.035 -7.041 1.465 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.823 -8.220 3.948 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.813 -8.398 1.564 1.00 0.00 C ATOM 722 CZ TYR B 46 10.707 -8.981 2.807 1.00 0.00 C ATOM 723 OH TYR B 46 10.498 -10.335 2.910 1.00 0.00 O ATOM 0 H TYR B 46 13.729 -6.259 3.168 1.00 0.00 H new ATOM 0 HA TYR B 46 13.148 -3.542 2.159 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.779 -4.229 3.169 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.179 -4.438 1.476 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.146 -6.268 4.739 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.115 -6.585 0.489 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.737 -8.682 4.920 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.723 -9.000 0.672 1.00 0.00 H new ATOM 0 HH TYR B 46 11.014 -10.799 2.218 1.00 0.00 H new ATOM 733 N LYS B 47 12.993 -2.735 4.530 1.00 0.00 N ATOM 734 CA LYS B 47 13.188 -2.234 5.882 1.00 0.00 C ATOM 735 C LYS B 47 11.842 -1.994 6.529 1.00 0.00 C ATOM 736 O LYS B 47 11.712 -1.997 7.754 1.00 0.00 O ATOM 737 CB LYS B 47 14.004 -0.929 5.882 1.00 0.00 C ATOM 738 CG LYS B 47 15.468 -1.090 5.475 1.00 0.00 C ATOM 739 CD LYS B 47 15.625 -1.518 4.022 1.00 0.00 C ATOM 740 CE LYS B 47 15.164 -0.437 3.058 1.00 0.00 C ATOM 741 NZ LYS B 47 15.034 -0.961 1.676 1.00 0.00 N ATOM 0 H LYS B 47 12.795 -2.011 3.840 1.00 0.00 H new ATOM 0 HA LYS B 47 13.745 -2.981 6.448 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.529 -0.220 5.204 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.965 -0.492 6.880 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.991 -0.147 5.631 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.942 -1.828 6.121 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.670 -1.758 3.825 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.051 -2.428 3.848 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.205 -0.038 3.389 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.874 0.390 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.851 -0.173 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.915 -1.441 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.245 -1.637 1.634 1.00 0.00 H new ATOM 755 N LEU B 48 10.841 -1.796 5.693 1.00 0.00 N ATOM 756 CA LEU B 48 9.499 -1.535 6.162 1.00 0.00 C ATOM 757 C LEU B 48 8.488 -2.318 5.330 1.00 0.00 C ATOM 758 O LEU B 48 8.585 -2.373 4.104 1.00 0.00 O ATOM 759 CB LEU B 48 9.204 -0.032 6.085 1.00 0.00 C ATOM 760 CG LEU B 48 8.451 0.560 7.282 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.110 -0.119 7.470 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.274 0.437 8.549 1.00 0.00 C ATOM 0 H LEU B 48 10.936 -1.812 4.678 1.00 0.00 H new ATOM 0 HA LEU B 48 9.416 -1.858 7.200 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.149 0.500 5.975 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.623 0.160 5.183 1.00 0.00 H new ATOM 0 HG LEU B 48 8.279 1.616 7.075 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.597 0.320 8.326 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.504 0.018 6.574 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.263 -1.184 7.646 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.720 0.863 9.385 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.480 -0.615 8.749 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.215 0.974 8.425 1.00 0.00 H new ATOM 774 N ARG B 49 7.539 -2.942 6.007 1.00 0.00 N ATOM 775 CA ARG B 49 6.448 -3.633 5.344 1.00 0.00 C ATOM 776 C ARG B 49 5.125 -3.020 5.772 1.00 0.00 C ATOM 777 O ARG B 49 4.777 -3.042 6.953 1.00 0.00 O ATOM 778 CB ARG B 49 6.455 -5.119 5.692 1.00 0.00 C ATOM 779 CG ARG B 49 5.452 -5.936 4.894 1.00 0.00 C ATOM 780 CD ARG B 49 5.242 -7.312 5.503 1.00 0.00 C ATOM 781 NE ARG B 49 4.497 -7.241 6.760 1.00 0.00 N ATOM 782 CZ ARG B 49 3.813 -8.261 7.281 1.00 0.00 C ATOM 783 NH1 ARG B 49 3.827 -9.449 6.692 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.123 -8.096 8.405 1.00 0.00 N ATOM 0 H ARG B 49 7.503 -2.984 7.026 1.00 0.00 H new ATOM 0 HA ARG B 49 6.576 -3.528 4.267 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.455 -5.519 5.521 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.242 -5.236 6.755 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.500 -5.406 4.853 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.802 -6.041 3.867 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.704 -7.944 4.797 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.209 -7.783 5.680 1.00 0.00 H new ATOM 0 HE ARG B 49 4.501 -6.357 7.269 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.363 -9.587 5.835 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.302 -10.225 7.096 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.116 -7.188 8.871 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.601 -8.877 8.802 1.00 0.00 H new ATOM 798 N ILE B 50 4.398 -2.466 4.822 1.00 0.00 N ATOM 799 CA ILE B 50 3.122 -1.834 5.111 1.00 0.00 C ATOM 800 C ILE B 50 2.006 -2.658 4.489 1.00 0.00 C ATOM 801 O ILE B 50 2.075 -3.034 3.318 1.00 0.00 O ATOM 802 CB ILE B 50 3.043 -0.368 4.596 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.235 0.485 5.062 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.758 0.283 5.078 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.557 0.158 4.402 1.00 0.00 C ATOM 0 H ILE B 50 4.669 -2.440 3.839 1.00 0.00 H new ATOM 0 HA ILE B 50 3.014 -1.794 6.195 1.00 0.00 H new ATOM 0 HB ILE B 50 3.066 -0.415 3.507 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.005 1.534 4.878 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.346 0.368 6.140 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.711 1.309 4.713 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.903 -0.277 4.700 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.737 0.284 6.168 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.333 0.813 4.798 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.819 -0.880 4.607 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.472 0.305 3.325 1.00 0.00 H new ATOM 817 N LEU B 51 0.998 -2.954 5.285 1.00 0.00 N ATOM 818 CA LEU B 51 -0.102 -3.798 4.856 1.00 0.00 C ATOM 819 C LEU B 51 -1.381 -2.992 4.766 1.00 0.00 C ATOM 820 O LEU B 51 -1.889 -2.517 5.775 1.00 0.00 O ATOM 821 CB LEU B 51 -0.288 -4.963 5.835 1.00 0.00 C ATOM 822 CG LEU B 51 0.252 -6.318 5.368 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.549 -6.829 4.186 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.725 -6.219 5.006 1.00 0.00 C ATOM 0 H LEU B 51 0.917 -2.618 6.245 1.00 0.00 H new ATOM 0 HA LEU B 51 0.133 -4.197 3.869 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.198 -4.704 6.775 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.352 -5.070 6.045 1.00 0.00 H new ATOM 0 HG LEU B 51 0.150 -7.026 6.191 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -0.152 -7.793 3.867 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.593 -6.945 4.477 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.478 -6.117 3.364 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.085 -7.194 4.677 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.854 -5.495 4.202 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.293 -5.897 5.879 1.00 0.00 H new ATOM 836 N ILE B 52 -1.883 -2.816 3.558 1.00 0.00 N ATOM 837 CA ILE B 52 -3.135 -2.112 3.358 1.00 0.00 C ATOM 838 C ILE B 52 -4.138 -3.045 2.701 1.00 0.00 C ATOM 839 O ILE B 52 -4.060 -3.313 1.503 1.00 0.00 O ATOM 840 CB ILE B 52 -2.973 -0.848 2.481 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.859 0.058 3.014 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.285 -0.082 2.413 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.491 -0.278 2.467 1.00 0.00 C ATOM 0 H ILE B 52 -1.443 -3.151 2.701 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.485 -1.790 4.339 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.696 -1.169 1.477 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.095 1.093 2.768 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.834 -0.013 4.101 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.157 0.805 1.793 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.056 -0.719 1.980 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.584 0.218 3.417 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.247 0.405 2.888 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.233 -1.302 2.736 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.499 -0.179 1.382 1.00 0.00 H new ATOM 855 N GLU B 53 -5.071 -3.551 3.480 1.00 0.00 N ATOM 856 CA GLU B 53 -6.029 -4.506 2.960 1.00 0.00 C ATOM 857 C GLU B 53 -7.425 -3.913 2.950 1.00 0.00 C ATOM 858 O GLU B 53 -7.756 -3.054 3.769 1.00 0.00 O ATOM 859 CB GLU B 53 -5.994 -5.795 3.781 1.00 0.00 C ATOM 860 CG GLU B 53 -6.411 -5.608 5.225 1.00 0.00 C ATOM 861 CD GLU B 53 -6.003 -6.777 6.097 1.00 0.00 C ATOM 862 OE1 GLU B 53 -6.661 -7.835 6.017 1.00 0.00 O ATOM 863 OE2 GLU B 53 -5.024 -6.652 6.863 1.00 0.00 O ATOM 0 H GLU B 53 -5.187 -3.320 4.467 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.756 -4.745 1.932 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.650 -6.530 3.315 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.985 -6.206 3.754 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -5.964 -4.694 5.615 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.492 -5.480 5.275 1.00 0.00 H new ATOM 870 N ASN B 54 -8.231 -4.362 2.011 1.00 0.00 N ATOM 871 CA ASN B 54 -9.595 -3.882 1.883 1.00 0.00 C ATOM 872 C ASN B 54 -10.540 -4.809 2.611 1.00 0.00 C ATOM 873 O ASN B 54 -10.711 -5.966 2.227 1.00 0.00 O ATOM 874 CB ASN B 54 -10.026 -3.801 0.424 1.00 0.00 C ATOM 875 CG ASN B 54 -11.367 -3.109 0.254 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.665 -2.153 1.122 1.00 0.00 O flip ATOM 877 ND2 ASN B 54 -12.132 -3.425 -0.654 1.00 0.00 N flip ATOM 0 H ASN B 54 -7.965 -5.063 1.320 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.630 -2.883 2.318 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.268 -3.264 -0.147 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.084 -4.807 0.009 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -11.872 -4.166 -1.305 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -13.027 -2.947 -0.756 1.00 0.00 H new ATOM 884 N LYS B 55 -11.141 -4.301 3.658 1.00 0.00 N ATOM 885 CA LYS B 55 -12.093 -5.065 4.423 1.00 0.00 C ATOM 886 C LYS B 55 -13.299 -4.209 4.780 1.00 0.00 C ATOM 887 O LYS B 55 -13.300 -3.502 5.784 1.00 0.00 O ATOM 888 CB LYS B 55 -11.419 -5.590 5.683 1.00 0.00 C ATOM 889 CG LYS B 55 -10.508 -4.566 6.351 1.00 0.00 C ATOM 890 CD LYS B 55 -10.044 -5.053 7.708 1.00 0.00 C ATOM 891 CE LYS B 55 -11.194 -5.094 8.697 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.633 -3.731 9.091 1.00 0.00 N ATOM 0 H LYS B 55 -10.985 -3.353 4.002 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.443 -5.907 3.825 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.185 -5.903 6.393 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -10.836 -6.476 5.432 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.644 -4.374 5.715 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.039 -3.620 6.462 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.608 -6.047 7.611 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.260 -4.396 8.085 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -12.033 -5.633 8.256 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -10.890 -5.649 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -12.349 -3.800 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.816 -3.191 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -12.042 -3.246 8.267 1.00 0.00 H new ATOM 906 N ALA B 56 -14.319 -4.268 3.944 1.00 0.00 N ATOM 907 CA ALA B 56 -15.566 -3.575 4.225 1.00 0.00 C ATOM 908 C ALA B 56 -16.753 -4.498 3.999 1.00 0.00 C ATOM 909 O ALA B 56 -16.613 -5.530 3.341 1.00 0.00 O ATOM 910 CB ALA B 56 -15.699 -2.338 3.348 1.00 0.00 C ATOM 0 H ALA B 56 -14.310 -4.787 3.066 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.554 -3.266 5.270 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.638 -1.832 3.572 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.867 -1.662 3.544 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.687 -2.633 2.299 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.425 0.925 -8.403 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.621 1.747 -7.518 1.00 0.00 C ATOM 1029 C PHE B 64 -3.656 2.602 -8.317 1.00 0.00 C ATOM 1030 O PHE B 64 -3.145 2.173 -9.353 1.00 0.00 O ATOM 1031 CB PHE B 64 -3.832 0.870 -6.542 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.683 0.200 -5.507 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -5.257 -1.036 -5.747 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -4.906 0.813 -4.291 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -6.042 -1.646 -4.788 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -5.689 0.210 -3.327 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.257 -1.023 -3.576 1.00 0.00 C ATOM 0 HA PHE B 64 -5.294 2.395 -6.956 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.295 0.108 -7.106 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.083 1.483 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -5.090 -1.529 -6.693 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -4.462 1.777 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -6.487 -2.610 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -5.857 0.702 -2.380 1.00 0.00 H new ATOM 0 HZ PHE B 64 -6.868 -1.499 -2.824 1.00 0.00 H new ATOM 1047 N SER B 65 -3.426 3.813 -7.849 1.00 0.00 N ATOM 1048 CA SER B 65 -2.403 4.661 -8.425 1.00 0.00 C ATOM 1049 C SER B 65 -1.566 5.279 -7.312 1.00 0.00 C ATOM 1050 O SER B 65 -1.750 6.440 -6.945 1.00 0.00 O ATOM 1051 CB SER B 65 -3.045 5.750 -9.289 1.00 0.00 C ATOM 1052 OG SER B 65 -4.011 6.479 -8.552 1.00 0.00 O ATOM 0 H SER B 65 -3.935 4.232 -7.070 1.00 0.00 H new ATOM 0 HA SER B 65 -1.752 4.061 -9.062 1.00 0.00 H new ATOM 0 HB2 SER B 65 -2.275 6.428 -9.657 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.514 5.297 -10.162 1.00 0.00 H new ATOM 0 HG SER B 65 -3.590 6.869 -7.758 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.633 4.498 -6.758 1.00 0.00 N ATOM 1059 CA PRO B 66 0.248 4.959 -5.700 1.00 0.00 C ATOM 1060 C PRO B 66 1.456 5.705 -6.244 1.00 0.00 C ATOM 1061 O PRO B 66 1.889 5.481 -7.376 1.00 0.00 O ATOM 1062 CB PRO B 66 0.675 3.663 -5.023 1.00 0.00 C ATOM 1063 CG PRO B 66 0.676 2.656 -6.118 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.386 3.086 -7.099 1.00 0.00 C ATOM 0 HA PRO B 66 -0.241 5.666 -5.030 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.662 3.758 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO B 66 -0.016 3.384 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.652 2.609 -6.600 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.464 1.660 -5.729 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.046 2.977 -8.129 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.290 2.486 -6.997 1.00 0.00 H new ATOM 1072 N SER B 67 1.990 6.601 -5.443 1.00 0.00 N ATOM 1073 CA SER B 67 3.147 7.377 -5.842 1.00 0.00 C ATOM 1074 C SER B 67 3.899 7.866 -4.615 1.00 0.00 C ATOM 1075 O SER B 67 3.294 8.230 -3.604 1.00 0.00 O ATOM 1076 CB SER B 67 2.738 8.573 -6.704 1.00 0.00 C ATOM 1077 OG SER B 67 1.869 8.195 -7.762 1.00 0.00 O ATOM 0 H SER B 67 1.641 6.812 -4.508 1.00 0.00 H new ATOM 0 HA SER B 67 3.797 6.731 -6.433 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.246 9.318 -6.079 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.630 9.043 -7.118 1.00 0.00 H new ATOM 0 HG SER B 67 1.630 8.987 -8.288 1.00 0.00 H new ATOM 1083 N TYR B 68 5.214 7.859 -4.706 1.00 0.00 N ATOM 1084 CA TYR B 68 6.053 8.308 -3.617 1.00 0.00 C ATOM 1085 C TYR B 68 6.521 9.728 -3.864 1.00 0.00 C ATOM 1086 O TYR B 68 7.036 10.051 -4.932 1.00 0.00 O ATOM 1087 CB TYR B 68 7.260 7.389 -3.442 1.00 0.00 C ATOM 1088 CG TYR B 68 8.299 7.956 -2.507 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.052 8.065 -1.145 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.522 8.398 -2.992 1.00 0.00 C ATOM 1091 CE1 TYR B 68 8.996 8.605 -0.294 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.471 8.936 -2.146 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.202 9.040 -0.800 1.00 0.00 C ATOM 1094 OH TYR B 68 11.144 9.585 0.045 1.00 0.00 O ATOM 0 H TYR B 68 5.726 7.544 -5.530 1.00 0.00 H new ATOM 0 HA TYR B 68 5.461 8.280 -2.702 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.924 6.425 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.715 7.206 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.109 7.723 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.735 8.320 -4.048 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.790 8.686 0.763 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.419 9.273 -2.538 1.00 0.00 H new ATOM 0 HH TYR B 68 11.938 9.840 -0.471 1.00 0.00 H new ATOM 1104 N ASN B 69 6.340 10.571 -2.874 1.00 0.00 N ATOM 1105 CA ASN B 69 6.786 11.944 -2.964 1.00 0.00 C ATOM 1106 C ASN B 69 7.986 12.148 -2.061 1.00 0.00 C ATOM 1107 O ASN B 69 7.977 11.737 -0.908 1.00 0.00 O ATOM 1108 CB ASN B 69 5.636 12.884 -2.598 1.00 0.00 C ATOM 1109 CG ASN B 69 5.827 13.632 -1.307 1.00 0.00 C ATOM 1110 OD1 ASN B 69 6.406 14.710 -1.281 1.00 0.00 O ATOM 1111 ND2 ASN B 69 5.308 13.068 -0.233 1.00 0.00 N ATOM 0 H ASN B 69 5.885 10.330 -1.993 1.00 0.00 H new ATOM 0 HA ASN B 69 7.091 12.172 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.503 13.605 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.716 12.304 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN B 69 5.380 13.533 0.672 1.00 0.00 H new ATOM 0 HD22 ASN B 69 4.835 12.167 -0.308 1.00 0.00 H new ATOM 1118 N PHE B 70 9.026 12.753 -2.605 1.00 0.00 N ATOM 1119 CA PHE B 70 10.260 12.981 -1.860 1.00 0.00 C ATOM 1120 C PHE B 70 10.131 14.177 -0.928 1.00 0.00 C ATOM 1121 O PHE B 70 10.842 14.273 0.069 1.00 0.00 O ATOM 1122 CB PHE B 70 11.429 13.214 -2.815 1.00 0.00 C ATOM 1123 CG PHE B 70 11.729 12.047 -3.711 1.00 0.00 C ATOM 1124 CD1 PHE B 70 10.959 11.809 -4.836 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.781 11.191 -3.430 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.232 10.740 -5.664 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.059 10.118 -4.255 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.283 9.892 -5.375 1.00 0.00 C ATOM 0 H PHE B 70 9.045 13.098 -3.565 1.00 0.00 H new ATOM 0 HA PHE B 70 10.448 12.089 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.212 14.086 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.319 13.449 -2.232 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.135 12.468 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.391 11.364 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.623 10.566 -6.539 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.882 9.457 -4.024 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.497 9.055 -6.023 1.00 0.00 H new ATOM 1138 N ALA B 71 9.222 15.088 -1.255 1.00 0.00 N ATOM 1139 CA ALA B 71 9.061 16.313 -0.475 1.00 0.00 C ATOM 1140 C ALA B 71 8.627 15.999 0.950 1.00 0.00 C ATOM 1141 O ALA B 71 9.228 16.468 1.915 1.00 0.00 O ATOM 1142 CB ALA B 71 8.056 17.245 -1.135 1.00 0.00 C ATOM 0 H ALA B 71 8.588 15.004 -2.050 1.00 0.00 H new ATOM 0 HA ALA B 71 10.029 16.813 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.952 18.150 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.405 17.508 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.090 16.746 -1.208 1.00 0.00 H new ATOM 1148 N GLU B 72 7.573 15.208 1.074 1.00 0.00 N ATOM 1149 CA GLU B 72 7.070 14.814 2.376 1.00 0.00 C ATOM 1150 C GLU B 72 7.449 13.374 2.673 1.00 0.00 C ATOM 1151 O GLU B 72 7.095 12.847 3.724 1.00 0.00 O ATOM 1152 CB GLU B 72 5.552 14.957 2.435 1.00 0.00 C ATOM 1153 CG GLU B 72 5.007 16.048 1.533 1.00 0.00 C ATOM 1154 CD GLU B 72 3.497 16.115 1.551 1.00 0.00 C ATOM 1155 OE1 GLU B 72 2.939 16.795 2.440 1.00 0.00 O ATOM 1156 OE2 GLU B 72 2.862 15.493 0.675 1.00 0.00 O ATOM 0 H GLU B 72 7.050 14.827 0.286 1.00 0.00 H new ATOM 0 HA GLU B 72 7.518 15.470 3.122 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.095 14.007 2.158 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.255 15.166 3.463 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.414 17.010 1.845 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.347 15.874 0.512 1.00 0.00 H new ATOM 1163 N ASN B 73 8.113 12.732 1.692 1.00 0.00 N ATOM 1164 CA ASN B 73 8.668 11.372 1.828 1.00 0.00 C ATOM 1165 C ASN B 73 7.561 10.383 2.163 1.00 0.00 C ATOM 1166 O ASN B 73 7.731 9.449 2.950 1.00 0.00 O ATOM 1167 CB ASN B 73 9.851 11.283 2.833 1.00 0.00 C ATOM 1168 CG ASN B 73 9.506 11.684 4.255 1.00 0.00 C ATOM 1169 OD1 ASN B 73 9.739 12.820 4.671 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.943 10.760 5.008 1.00 0.00 N ATOM 0 H ASN B 73 8.280 13.147 0.775 1.00 0.00 H new ATOM 0 HA ASN B 73 9.096 11.104 0.862 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.228 10.260 2.840 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.661 11.919 2.477 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.684 10.975 5.971 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.766 9.830 4.628 1.00 0.00 H new ATOM 1177 N ILE B 74 6.424 10.594 1.518 1.00 0.00 N ATOM 1178 CA ILE B 74 5.240 9.794 1.755 1.00 0.00 C ATOM 1179 C ILE B 74 4.808 9.061 0.487 1.00 0.00 C ATOM 1180 O ILE B 74 4.815 9.629 -0.609 1.00 0.00 O ATOM 1181 CB ILE B 74 4.098 10.693 2.270 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.500 11.288 3.620 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.790 9.918 2.378 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.640 12.439 4.074 1.00 0.00 C ATOM 0 H ILE B 74 6.300 11.325 0.817 1.00 0.00 H new ATOM 0 HA ILE B 74 5.476 9.044 2.510 1.00 0.00 H new ATOM 0 HB ILE B 74 3.931 11.501 1.557 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.463 10.503 4.375 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.535 11.625 3.561 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.004 10.579 2.744 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.513 9.533 1.396 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.916 9.086 3.071 1.00 0.00 H new ATOM 0 HD11 ILE B 74 3.995 12.800 5.039 1.00 0.00 H new ATOM 0 HD12 ILE B 74 3.695 13.245 3.343 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.607 12.106 4.169 1.00 0.00 H new ATOM 1196 N LEU B 75 4.459 7.792 0.652 1.00 0.00 N ATOM 1197 CA LEU B 75 3.972 6.958 -0.434 1.00 0.00 C ATOM 1198 C LEU B 75 2.450 6.887 -0.351 1.00 0.00 C ATOM 1199 O LEU B 75 1.897 6.164 0.474 1.00 0.00 O ATOM 1200 CB LEU B 75 4.618 5.557 -0.320 1.00 0.00 C ATOM 1201 CG LEU B 75 4.271 4.512 -1.401 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.960 3.806 -1.093 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.214 5.149 -2.776 1.00 0.00 C ATOM 0 H LEU B 75 4.507 7.311 1.550 1.00 0.00 H new ATOM 0 HA LEU B 75 4.243 7.377 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.700 5.687 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.343 5.140 0.649 1.00 0.00 H new ATOM 0 HG LEU B 75 5.066 3.766 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.747 3.077 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.038 3.296 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.154 4.538 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.968 4.390 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.451 5.927 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.183 5.588 -3.014 1.00 0.00 H new ATOM 1215 N TYR B 76 1.767 7.666 -1.173 1.00 0.00 N ATOM 1216 CA TYR B 76 0.314 7.682 -1.126 1.00 0.00 C ATOM 1217 C TYR B 76 -0.238 6.591 -2.033 1.00 0.00 C ATOM 1218 O TYR B 76 0.304 6.331 -3.106 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.248 9.071 -1.497 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.514 9.302 -2.971 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -1.728 8.930 -3.540 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.431 9.907 -3.787 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -1.988 9.147 -4.879 1.00 0.00 C ATOM 1224 CE2 TYR B 76 0.178 10.130 -5.128 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.032 9.748 -5.669 1.00 0.00 C ATOM 1226 OH TYR B 76 -1.282 9.961 -7.007 1.00 0.00 O ATOM 0 H TYR B 76 2.185 8.285 -1.868 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.007 7.479 -0.104 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.179 9.223 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.453 9.830 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.481 8.463 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.380 10.209 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -2.935 8.848 -5.304 1.00 0.00 H new ATOM 0 HE2 TYR B 76 0.925 10.601 -5.749 1.00 0.00 H new ATOM 0 HH TYR B 76 -0.506 10.395 -7.420 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.301 5.942 -1.577 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.886 4.815 -2.289 1.00 0.00 C ATOM 1238 C ILE B 77 -2.971 5.284 -3.251 1.00 0.00 C ATOM 1239 O ILE B 77 -2.984 4.913 -4.420 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.486 3.794 -1.297 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.395 3.224 -0.383 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.203 2.675 -2.036 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.304 2.477 -1.121 1.00 0.00 C ATOM 0 H ILE B 77 -1.779 6.180 -0.708 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.090 4.335 -2.859 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.217 4.314 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.945 4.040 0.182 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.856 2.552 0.341 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.616 1.969 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -4.010 3.094 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.497 2.158 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.430 2.105 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.740 1.638 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.185 3.150 -1.825 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.875 6.098 -2.734 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.957 6.680 -3.519 1.00 0.00 C ATOM 1257 C ASN B 78 -5.445 7.931 -2.809 1.00 0.00 C ATOM 1258 O ASN B 78 -4.830 8.367 -1.835 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.123 5.691 -3.698 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.016 4.848 -4.962 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.435 5.269 -5.963 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.603 3.660 -4.936 1.00 0.00 N ATOM 0 H ASN B 78 -3.882 6.377 -1.753 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.581 6.924 -4.513 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.164 5.030 -2.832 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -7.060 6.247 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.582 3.063 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -7.075 3.343 -4.089 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.551 8.493 -3.267 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.110 9.667 -2.623 1.00 0.00 C ATOM 1271 C GLY B 79 -7.914 9.319 -1.383 1.00 0.00 C ATOM 1272 O GLY B 79 -8.762 10.093 -0.946 1.00 0.00 O ATOM 0 H GLY B 79 -7.075 8.158 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.303 10.347 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.749 10.197 -3.330 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.648 8.146 -0.825 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.325 7.687 0.382 1.00 0.00 C ATOM 1278 C LYS B 80 -7.380 7.751 1.563 1.00 0.00 C ATOM 1279 O LYS B 80 -7.729 8.245 2.636 1.00 0.00 O ATOM 1280 CB LYS B 80 -8.803 6.246 0.205 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.695 6.053 -1.000 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.987 6.840 -0.855 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.910 6.644 -2.045 1.00 0.00 C ATOM 1284 NZ LYS B 80 -13.169 7.420 -1.899 1.00 0.00 N ATOM 0 H LYS B 80 -6.961 7.488 -1.193 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.183 8.335 0.563 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -7.936 5.592 0.114 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.343 5.937 1.100 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -9.170 6.372 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.922 4.994 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.499 6.531 0.056 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.756 7.900 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.398 6.950 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -12.146 5.585 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.773 7.261 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -13.670 7.110 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -12.946 8.433 -1.822 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.181 7.239 1.350 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.166 7.200 2.388 1.00 0.00 C ATOM 1300 C LEU B 81 -3.763 7.254 1.793 1.00 0.00 C ATOM 1301 O LEU B 81 -3.539 6.861 0.641 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.334 5.963 3.289 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.695 4.642 2.589 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.609 4.205 1.621 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.932 3.560 3.622 1.00 0.00 C ATOM 0 H LEU B 81 -5.884 6.841 0.459 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.300 8.086 3.009 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.405 5.814 3.839 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.108 6.181 4.025 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.607 4.807 2.014 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.900 3.268 1.146 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.472 4.971 0.858 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.674 4.062 2.163 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.187 2.627 3.120 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.028 3.418 4.214 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.752 3.855 4.277 1.00 0.00 H new ATOM 1317 N SER B 82 -2.833 7.766 2.573 1.00 0.00 N ATOM 1318 CA SER B 82 -1.447 7.849 2.162 1.00 0.00 C ATOM 1319 C SER B 82 -0.552 7.207 3.217 1.00 0.00 C ATOM 1320 O SER B 82 -0.850 7.270 4.410 1.00 0.00 O ATOM 1321 CB SER B 82 -1.063 9.312 1.932 1.00 0.00 C ATOM 1322 OG SER B 82 -1.417 10.116 3.046 1.00 0.00 O ATOM 0 H SER B 82 -3.016 8.135 3.506 1.00 0.00 H new ATOM 0 HA SER B 82 -1.312 7.307 1.226 1.00 0.00 H new ATOM 0 HB2 SER B 82 0.010 9.385 1.753 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.562 9.685 1.037 1.00 0.00 H new ATOM 0 HG SER B 82 -1.159 11.046 2.874 1.00 0.00 H new ATOM 1328 N ILE B 83 0.526 6.574 2.780 1.00 0.00 N ATOM 1329 CA ILE B 83 1.420 5.874 3.689 1.00 0.00 C ATOM 1330 C ILE B 83 2.710 6.663 3.889 1.00 0.00 C ATOM 1331 O ILE B 83 3.583 6.675 3.021 1.00 0.00 O ATOM 1332 CB ILE B 83 1.762 4.466 3.156 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.479 3.667 2.888 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.662 3.727 4.135 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.418 3.521 4.099 1.00 0.00 C ATOM 0 H ILE B 83 0.803 6.531 1.799 1.00 0.00 H new ATOM 0 HA ILE B 83 0.905 5.775 4.644 1.00 0.00 H new ATOM 0 HB ILE B 83 2.301 4.575 2.215 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.081 4.155 2.090 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.750 2.675 2.527 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.892 2.737 3.742 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.587 4.287 4.272 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.153 3.627 5.093 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.303 2.945 3.829 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.123 3.005 4.892 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.721 4.508 4.449 1.00 0.00 H new ATOM 1347 N PRO B 84 2.844 7.351 5.028 1.00 0.00 N ATOM 1348 CA PRO B 84 4.038 8.128 5.328 1.00 0.00 C ATOM 1349 C PRO B 84 5.189 7.256 5.807 1.00 0.00 C ATOM 1350 O PRO B 84 5.010 6.369 6.644 1.00 0.00 O ATOM 1351 CB PRO B 84 3.574 9.075 6.430 1.00 0.00 C ATOM 1352 CG PRO B 84 2.482 8.340 7.133 1.00 0.00 C ATOM 1353 CD PRO B 84 1.844 7.430 6.110 1.00 0.00 C ATOM 0 HA PRO B 84 4.427 8.642 4.449 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.389 9.318 7.112 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.214 10.017 6.016 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.879 7.764 7.969 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.749 9.035 7.543 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.631 6.446 6.529 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.898 7.835 5.750 1.00 0.00 H new ATOM 1361 N LEU B 85 6.369 7.507 5.269 1.00 0.00 N ATOM 1362 CA LEU B 85 7.543 6.728 5.623 1.00 0.00 C ATOM 1363 C LEU B 85 8.373 7.461 6.665 1.00 0.00 C ATOM 1364 O LEU B 85 8.317 8.688 6.766 1.00 0.00 O ATOM 1365 CB LEU B 85 8.402 6.430 4.384 1.00 0.00 C ATOM 1366 CG LEU B 85 7.783 5.479 3.350 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.129 4.286 4.029 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.788 6.209 2.465 1.00 0.00 C ATOM 0 H LEU B 85 6.540 8.244 4.585 1.00 0.00 H new ATOM 0 HA LEU B 85 7.202 5.781 6.042 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.631 7.374 3.889 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.350 6.006 4.717 1.00 0.00 H new ATOM 0 HG LEU B 85 8.588 5.107 2.716 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.698 3.628 3.274 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.877 3.739 4.603 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.342 4.634 4.698 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.365 5.512 1.742 1.00 0.00 H new ATOM 0 HD22 LEU B 85 5.989 6.623 3.080 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.295 7.017 1.937 1.00 0.00 H new ATOM 1380 N PRO B 86 9.129 6.712 7.477 1.00 0.00 N ATOM 1381 CA PRO B 86 10.044 7.294 8.455 1.00 0.00 C ATOM 1382 C PRO B 86 11.189 8.028 7.773 1.00 0.00 C ATOM 1383 O PRO B 86 11.731 7.563 6.770 1.00 0.00 O ATOM 1384 CB PRO B 86 10.571 6.083 9.225 1.00 0.00 C ATOM 1385 CG PRO B 86 10.382 4.932 8.303 1.00 0.00 C ATOM 1386 CD PRO B 86 9.147 5.239 7.510 1.00 0.00 C ATOM 0 HA PRO B 86 9.555 8.030 9.093 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.621 6.209 9.489 1.00 0.00 H new ATOM 0 HB3 PRO B 86 10.023 5.938 10.156 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.246 4.809 7.649 1.00 0.00 H new ATOM 0 HG3 PRO B 86 10.268 4.001 8.859 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.196 4.814 6.508 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.253 4.835 7.984 1.00 0.00 H new ATOM 1394 N ARG B 87 11.568 9.163 8.335 1.00 0.00 N ATOM 1395 CA ARG B 87 12.599 10.008 7.745 1.00 0.00 C ATOM 1396 C ARG B 87 13.977 9.402 7.984 1.00 0.00 C ATOM 1397 O ARG B 87 14.974 9.849 7.417 1.00 0.00 O ATOM 1398 CB ARG B 87 12.540 11.429 8.322 1.00 0.00 C ATOM 1399 CG ARG B 87 11.397 12.284 7.780 1.00 0.00 C ATOM 1400 CD ARG B 87 10.030 11.708 8.123 1.00 0.00 C ATOM 1401 NE ARG B 87 9.821 11.592 9.565 1.00 0.00 N ATOM 1402 CZ ARG B 87 8.908 10.799 10.124 1.00 0.00 C ATOM 1403 NH1 ARG B 87 8.132 10.031 9.368 1.00 0.00 N ATOM 1404 NH2 ARG B 87 8.772 10.767 11.443 1.00 0.00 N ATOM 0 H ARG B 87 11.176 9.525 9.204 1.00 0.00 H new ATOM 0 HA ARG B 87 12.418 10.067 6.672 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.446 11.364 9.406 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.484 11.932 8.113 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.476 13.292 8.187 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.492 12.369 6.697 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.254 12.343 7.696 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.927 10.725 7.663 1.00 0.00 H new ATOM 0 HE ARG B 87 10.410 12.152 10.181 1.00 0.00 H new ATOM 0 HH11 ARG B 87 8.233 10.046 8.353 1.00 0.00 H new ATOM 0 HH12 ARG B 87 7.435 9.426 9.802 1.00 0.00 H new ATOM 0 HH21 ARG B 87 9.367 11.350 12.031 1.00 0.00 H new ATOM 0 HH22 ARG B 87 8.072 10.159 11.869 1.00 0.00 H new ATOM 1418 N ASP B 88 14.009 8.362 8.807 1.00 0.00 N ATOM 1419 CA ASP B 88 15.249 7.679 9.146 1.00 0.00 C ATOM 1420 C ASP B 88 15.648 6.722 8.028 1.00 0.00 C ATOM 1421 O ASP B 88 16.778 6.241 7.970 1.00 0.00 O ATOM 1422 CB ASP B 88 15.078 6.926 10.470 1.00 0.00 C ATOM 1423 CG ASP B 88 16.279 6.077 10.837 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.360 6.643 11.102 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.143 4.835 10.877 1.00 0.00 O ATOM 0 H ASP B 88 13.181 7.970 9.256 1.00 0.00 H new ATOM 0 HA ASP B 88 16.044 8.415 9.262 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.893 7.645 11.268 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.197 6.288 10.406 1.00 0.00 H new ATOM 1430 N ILE B 89 14.714 6.471 7.125 1.00 0.00 N ATOM 1431 CA ILE B 89 14.937 5.530 6.043 1.00 0.00 C ATOM 1432 C ILE B 89 14.942 6.242 4.696 1.00 0.00 C ATOM 1433 O ILE B 89 14.099 7.100 4.430 1.00 0.00 O ATOM 1434 CB ILE B 89 13.856 4.430 6.044 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.849 3.721 7.402 1.00 0.00 C ATOM 1436 CG2 ILE B 89 14.090 3.432 4.915 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.819 2.622 7.514 1.00 0.00 C ATOM 0 H ILE B 89 13.792 6.908 7.121 1.00 0.00 H new ATOM 0 HA ILE B 89 15.912 5.069 6.201 1.00 0.00 H new ATOM 0 HB ILE B 89 12.883 4.893 5.878 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.837 3.299 7.586 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.666 4.458 8.184 1.00 0.00 H new ATOM 0 HG21 ILE B 89 13.314 2.667 4.939 1.00 0.00 H new ATOM 0 HG22 ILE B 89 14.058 3.952 3.957 1.00 0.00 H new ATOM 0 HG23 ILE B 89 15.066 2.963 5.041 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.877 2.169 8.504 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.823 3.040 7.364 1.00 0.00 H new ATOM 0 HD13 ILE B 89 13.012 1.863 6.756 1.00 0.00 H new ATOM 1449 N VAL B 90 15.910 5.896 3.862 1.00 0.00 N ATOM 1450 CA VAL B 90 15.992 6.440 2.518 1.00 0.00 C ATOM 1451 C VAL B 90 15.150 5.593 1.580 1.00 0.00 C ATOM 1452 O VAL B 90 15.443 4.419 1.357 1.00 0.00 O ATOM 1453 CB VAL B 90 17.447 6.488 2.002 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.498 7.014 0.574 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.311 7.342 2.918 1.00 0.00 C ATOM 0 H VAL B 90 16.653 5.237 4.095 1.00 0.00 H new ATOM 0 HA VAL B 90 15.616 7.463 2.548 1.00 0.00 H new ATOM 0 HB VAL B 90 17.842 5.472 2.004 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.533 7.039 0.232 1.00 0.00 H new ATOM 0 HG12 VAL B 90 16.917 6.360 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.081 8.021 0.542 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.333 7.364 2.538 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.914 8.357 2.951 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.306 6.918 3.922 1.00 0.00 H new ATOM 1465 N VAL B 91 14.097 6.182 1.045 1.00 0.00 N ATOM 1466 CA VAL B 91 13.167 5.447 0.213 1.00 0.00 C ATOM 1467 C VAL B 91 13.026 6.090 -1.163 1.00 0.00 C ATOM 1468 O VAL B 91 12.926 7.309 -1.292 1.00 0.00 O ATOM 1469 CB VAL B 91 11.787 5.314 0.907 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.346 6.638 1.505 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.739 4.793 -0.058 1.00 0.00 C ATOM 0 H VAL B 91 13.866 7.167 1.172 1.00 0.00 H new ATOM 0 HA VAL B 91 13.571 4.445 0.070 1.00 0.00 H new ATOM 0 HB VAL B 91 11.894 4.593 1.717 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.375 6.515 1.985 1.00 0.00 H new ATOM 0 HG12 VAL B 91 12.077 6.965 2.244 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.268 7.386 0.716 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.781 4.710 0.455 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.642 5.482 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL B 91 11.040 3.812 -0.427 1.00 0.00 H new ATOM 1481 N ASN B 92 13.060 5.250 -2.185 1.00 0.00 N ATOM 1482 CA ASN B 92 12.940 5.683 -3.571 1.00 0.00 C ATOM 1483 C ASN B 92 12.099 4.684 -4.344 1.00 0.00 C ATOM 1484 O ASN B 92 11.878 3.567 -3.881 1.00 0.00 O ATOM 1485 CB ASN B 92 14.315 5.802 -4.230 1.00 0.00 C ATOM 1486 CG ASN B 92 15.397 5.046 -3.484 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.415 3.736 -3.639 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.181 5.632 -2.735 1.00 0.00 N flip ATOM 0 H ASN B 92 13.172 4.242 -2.077 1.00 0.00 H new ATOM 0 HA ASN B 92 12.463 6.663 -3.583 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.256 5.427 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.592 6.854 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.135 6.647 -2.642 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.875 5.102 -2.208 1.00 0.00 H new ATOM 1495 N ALA B 93 11.667 5.072 -5.538 1.00 0.00 N ATOM 1496 CA ALA B 93 10.770 4.249 -6.346 1.00 0.00 C ATOM 1497 C ALA B 93 11.456 2.977 -6.834 1.00 0.00 C ATOM 1498 O ALA B 93 10.807 2.060 -7.335 1.00 0.00 O ATOM 1499 CB ALA B 93 10.248 5.048 -7.524 1.00 0.00 C ATOM 0 H ALA B 93 11.925 5.958 -5.972 1.00 0.00 H new ATOM 0 HA ALA B 93 9.934 3.951 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.581 4.425 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.703 5.919 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.085 5.376 -8.141 1.00 0.00 H new ATOM 1505 N ALA B 94 12.769 2.933 -6.684 1.00 0.00 N ATOM 1506 CA ALA B 94 13.550 1.761 -7.068 1.00 0.00 C ATOM 1507 C ALA B 94 13.662 0.784 -5.902 1.00 0.00 C ATOM 1508 O ALA B 94 14.129 -0.343 -6.054 1.00 0.00 O ATOM 1509 CB ALA B 94 14.934 2.184 -7.528 1.00 0.00 C ATOM 0 H ALA B 94 13.322 3.698 -6.297 1.00 0.00 H new ATOM 0 HA ALA B 94 13.039 1.260 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.508 1.302 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.844 2.851 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.444 2.703 -6.717 1.00 0.00 H new ATOM 1515 N ASP B 95 13.236 1.235 -4.735 1.00 0.00 N ATOM 1516 CA ASP B 95 13.315 0.433 -3.520 1.00 0.00 C ATOM 1517 C ASP B 95 11.914 0.042 -3.069 1.00 0.00 C ATOM 1518 O ASP B 95 11.716 -0.954 -2.379 1.00 0.00 O ATOM 1519 CB ASP B 95 14.030 1.232 -2.428 1.00 0.00 C ATOM 1520 CG ASP B 95 14.473 0.388 -1.253 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.127 -0.654 -1.469 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.205 0.783 -0.103 1.00 0.00 O ATOM 0 H ASP B 95 12.828 2.160 -4.600 1.00 0.00 H new ATOM 0 HA ASP B 95 13.881 -0.477 -3.717 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.901 1.724 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.365 2.018 -2.070 1.00 0.00 H new ATOM 1527 N ILE B 96 10.948 0.845 -3.486 1.00 0.00 N ATOM 1528 CA ILE B 96 9.542 0.611 -3.191 1.00 0.00 C ATOM 1529 C ILE B 96 8.987 -0.542 -4.020 1.00 0.00 C ATOM 1530 O ILE B 96 9.005 -0.502 -5.250 1.00 0.00 O ATOM 1531 CB ILE B 96 8.736 1.889 -3.483 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.134 2.990 -2.511 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.238 1.629 -3.412 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.685 4.359 -2.950 1.00 0.00 C ATOM 0 H ILE B 96 11.118 1.683 -4.042 1.00 0.00 H new ATOM 0 HA ILE B 96 9.454 0.346 -2.137 1.00 0.00 H new ATOM 0 HB ILE B 96 8.967 2.211 -4.498 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.709 2.772 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.218 2.990 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.698 2.552 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.965 0.872 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.977 1.276 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.000 5.099 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.131 4.596 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.599 4.375 -3.038 1.00 0.00 H new ATOM 1546 N LYS B 97 8.508 -1.569 -3.339 1.00 0.00 N ATOM 1547 CA LYS B 97 7.920 -2.725 -4.000 1.00 0.00 C ATOM 1548 C LYS B 97 6.429 -2.800 -3.676 1.00 0.00 C ATOM 1549 O LYS B 97 6.052 -3.191 -2.570 1.00 0.00 O ATOM 1550 CB LYS B 97 8.614 -4.012 -3.535 1.00 0.00 C ATOM 1551 CG LYS B 97 10.130 -3.898 -3.396 1.00 0.00 C ATOM 1552 CD LYS B 97 10.808 -3.492 -4.700 1.00 0.00 C ATOM 1553 CE LYS B 97 10.698 -4.574 -5.762 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.386 -5.828 -5.355 1.00 0.00 N ATOM 0 H LYS B 97 8.515 -1.627 -2.321 1.00 0.00 H new ATOM 0 HA LYS B 97 8.053 -2.621 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.195 -4.309 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.385 -4.809 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.367 -3.166 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.534 -4.854 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.356 -2.572 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.859 -3.277 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS B 97 9.646 -4.785 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS B 97 11.129 -4.211 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 11.736 -6.322 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 12.187 -5.598 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 10.717 -6.442 -4.847 1.00 0.00 H new ATOM 1568 N ILE B 98 5.585 -2.402 -4.624 1.00 0.00 N ATOM 1569 CA ILE B 98 4.141 -2.415 -4.412 1.00 0.00 C ATOM 1570 C ILE B 98 3.475 -3.562 -5.172 1.00 0.00 C ATOM 1571 O ILE B 98 3.569 -3.650 -6.402 1.00 0.00 O ATOM 1572 CB ILE B 98 3.498 -1.080 -4.838 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.158 0.081 -4.095 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.001 -1.099 -4.572 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.524 1.425 -4.376 1.00 0.00 C ATOM 0 H ILE B 98 5.875 -2.068 -5.543 1.00 0.00 H new ATOM 0 HA ILE B 98 3.982 -2.560 -3.343 1.00 0.00 H new ATOM 0 HB ILE B 98 3.653 -0.944 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.114 -0.114 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.212 0.123 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.565 -0.148 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.541 -1.909 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.822 -1.253 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.047 2.199 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.591 1.643 -5.442 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.476 1.403 -4.076 1.00 0.00 H new ATOM 1587 N PHE B 99 2.799 -4.432 -4.431 1.00 0.00 N ATOM 1588 CA PHE B 99 2.129 -5.591 -5.003 1.00 0.00 C ATOM 1589 C PHE B 99 0.711 -5.711 -4.456 1.00 0.00 C ATOM 1590 O PHE B 99 0.507 -5.816 -3.247 1.00 0.00 O ATOM 1591 CB PHE B 99 2.903 -6.874 -4.688 1.00 0.00 C ATOM 1592 CG PHE B 99 4.177 -7.044 -5.470 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.323 -6.345 -5.126 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.225 -7.912 -6.548 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.491 -6.510 -5.844 1.00 0.00 C ATOM 1596 CE2 PHE B 99 5.390 -8.080 -7.269 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.524 -7.377 -6.917 1.00 0.00 C ATOM 0 H PHE B 99 2.701 -4.353 -3.419 1.00 0.00 H new ATOM 0 HA PHE B 99 2.089 -5.455 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.140 -6.888 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.256 -7.730 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.302 -5.664 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.340 -8.464 -6.828 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.378 -5.961 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE B 99 5.414 -8.761 -8.107 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.436 -7.505 -7.481 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.265 -5.688 -5.345 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.660 -5.815 -4.948 1.00 0.00 C ATOM 1609 C HIS B 100 -2.186 -7.200 -5.293 1.00 0.00 C ATOM 1610 O HIS B 100 -2.229 -7.584 -6.459 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.529 -4.754 -5.632 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.985 -4.835 -5.273 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.992 -4.882 -6.214 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.599 -4.872 -4.066 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.161 -4.944 -5.601 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.951 -4.943 -4.297 1.00 0.00 N ATOM 0 H HIS B 100 -0.120 -5.582 -6.349 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.712 -5.666 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.154 -3.765 -5.367 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.425 -4.855 -6.712 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.856 -4.871 -7.225 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.115 -4.850 -3.101 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.126 -4.988 -6.085 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.583 -7.942 -4.280 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.225 -9.223 -4.494 1.00 0.00 C ATOM 1627 C ILE B 101 -4.737 -9.026 -4.560 1.00 0.00 C ATOM 1628 O ILE B 101 -5.341 -8.439 -3.659 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.873 -10.248 -3.384 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.437 -10.766 -3.526 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.831 -11.419 -3.423 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.364 -9.763 -3.194 1.00 0.00 C ATOM 0 H ILE B 101 -2.473 -7.680 -3.300 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.856 -9.628 -5.436 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.961 -9.731 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -1.314 -11.635 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -1.290 -11.108 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.570 -12.129 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.849 -11.062 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.765 -11.911 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.616 -10.222 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.453 -8.902 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.478 -9.437 -2.160 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.332 -9.499 -5.646 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.765 -9.351 -5.879 1.00 0.00 C ATOM 1646 C ARG B 102 -7.547 -10.332 -5.021 1.00 0.00 C ATOM 1647 O ARG B 102 -8.563 -9.985 -4.426 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.092 -9.609 -7.354 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.305 -8.750 -8.331 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.643 -7.278 -8.190 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.057 -7.008 -8.437 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.518 -5.891 -9.000 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -7.679 -4.928 -9.376 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -9.823 -5.744 -9.188 1.00 0.00 N ATOM 0 H ARG B 102 -4.839 -9.995 -6.389 1.00 0.00 H new ATOM 0 HA ARG B 102 -7.048 -8.332 -5.614 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -6.902 -10.659 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -8.156 -9.437 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.238 -8.895 -8.164 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -6.515 -9.075 -9.350 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.381 -6.942 -7.187 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.038 -6.700 -8.888 1.00 0.00 H new ATOM 0 HE ARG B 102 -8.734 -7.719 -8.161 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -6.675 -5.042 -9.234 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.040 -4.076 -9.806 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.466 -6.483 -8.902 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.184 -4.892 -9.618 1.00 0.00 H new ATOM 1668 N LYS B 103 -7.042 -11.555 -4.961 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.706 -12.653 -4.268 1.00 0.00 C ATOM 1670 C LYS B 103 -7.912 -12.343 -2.787 1.00 0.00 C ATOM 1671 O LYS B 103 -9.003 -12.519 -2.252 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.862 -13.913 -4.435 1.00 0.00 C ATOM 1673 CG LYS B 103 -7.549 -15.196 -4.004 1.00 0.00 C ATOM 1674 CD LYS B 103 -6.633 -16.397 -4.196 1.00 0.00 C ATOM 1675 CE LYS B 103 -6.119 -16.490 -5.627 1.00 0.00 C ATOM 1676 NZ LYS B 103 -5.118 -17.575 -5.791 1.00 0.00 N ATOM 0 H LYS B 103 -6.156 -11.817 -5.393 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.694 -12.800 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.574 -14.005 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -5.943 -13.798 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -7.842 -15.122 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -8.463 -15.335 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -5.789 -16.324 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -7.172 -17.310 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -6.957 -16.665 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.672 -15.538 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -4.428 -17.303 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -4.625 -17.732 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -5.599 -18.451 -6.080 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.861 -11.871 -2.134 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.922 -11.549 -0.714 1.00 0.00 C ATOM 1692 C GLU B 104 -7.404 -10.118 -0.502 1.00 0.00 C ATOM 1693 O GLU B 104 -7.587 -9.676 0.633 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.544 -11.718 -0.064 1.00 0.00 C ATOM 1695 CG GLU B 104 -4.887 -13.062 -0.341 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.697 -14.233 0.174 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -5.643 -14.515 1.389 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.380 -14.888 -0.637 1.00 0.00 O ATOM 0 H GLU B 104 -5.952 -11.702 -2.565 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.629 -12.236 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.887 -10.924 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -5.644 -11.590 1.014 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.739 -13.174 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -3.899 -13.079 0.120 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.600 -9.401 -1.613 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.970 -7.984 -1.591 1.00 0.00 C ATOM 1707 C ARG B 105 -6.988 -7.179 -0.744 1.00 0.00 C ATOM 1708 O ARG B 105 -7.379 -6.252 -0.036 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.394 -7.790 -1.056 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.469 -8.482 -1.879 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.862 -8.145 -1.368 1.00 0.00 C ATOM 1712 NE ARG B 105 -12.038 -8.498 0.042 1.00 0.00 N ATOM 1713 CZ ARG B 105 -13.192 -8.384 0.702 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -14.274 -7.924 0.084 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -13.259 -8.725 1.983 1.00 0.00 N ATOM 0 H ARG B 105 -7.506 -9.787 -2.552 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.932 -7.622 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.439 -8.163 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.613 -6.723 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.380 -8.181 -2.923 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -10.318 -9.561 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -12.046 -7.079 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -12.604 -8.673 -1.968 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.229 -8.853 0.551 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -14.225 -7.656 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -15.154 -7.839 0.592 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -12.429 -9.074 2.462 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -14.141 -8.638 2.488 1.00 0.00 H new ATOM 1729 N THR B 106 -5.709 -7.515 -0.837 1.00 0.00 N ATOM 1730 CA THR B 106 -4.718 -6.929 0.043 1.00 0.00 C ATOM 1731 C THR B 106 -3.578 -6.305 -0.753 1.00 0.00 C ATOM 1732 O THR B 106 -3.122 -6.865 -1.752 1.00 0.00 O ATOM 1733 CB THR B 106 -4.161 -7.984 1.023 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.236 -8.588 1.763 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.171 -7.360 1.994 1.00 0.00 C ATOM 0 H THR B 106 -5.339 -8.186 -1.510 1.00 0.00 H new ATOM 0 HA THR B 106 -5.210 -6.143 0.616 1.00 0.00 H new ATOM 0 HB THR B 106 -3.645 -8.745 0.438 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.855 -9.025 1.142 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.795 -8.126 2.672 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.339 -6.928 1.438 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.668 -6.579 2.569 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.145 -5.131 -0.324 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.042 -4.441 -0.964 1.00 0.00 C ATOM 1745 C LEU B 107 -0.814 -4.460 -0.060 1.00 0.00 C ATOM 1746 O LEU B 107 -0.849 -3.965 1.067 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.445 -3.001 -1.301 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.343 -2.123 -1.900 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.705 -2.802 -3.095 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.913 -0.780 -2.314 1.00 0.00 C ATOM 0 H LEU B 107 -3.546 -4.634 0.472 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.793 -4.955 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.280 -3.032 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.810 -2.524 -0.391 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.578 -1.969 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU B 107 0.075 -2.160 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.268 -3.751 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.462 -2.984 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -1.121 -0.164 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.694 -0.930 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.334 -0.279 -1.442 1.00 0.00 H new ATOM 1762 N TYR B 108 0.259 -5.054 -0.558 1.00 0.00 N ATOM 1763 CA TYR B 108 1.488 -5.182 0.205 1.00 0.00 C ATOM 1764 C TYR B 108 2.513 -4.152 -0.246 1.00 0.00 C ATOM 1765 O TYR B 108 2.784 -4.012 -1.442 1.00 0.00 O ATOM 1766 CB TYR B 108 2.067 -6.587 0.042 1.00 0.00 C ATOM 1767 CG TYR B 108 1.144 -7.687 0.506 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.063 -8.086 -0.267 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.356 -8.332 1.716 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.780 -9.090 0.150 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.516 -9.341 2.141 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.552 -9.715 1.354 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.392 -10.720 1.770 1.00 0.00 O ATOM 0 H TYR B 108 0.302 -5.457 -1.494 1.00 0.00 H new ATOM 0 HA TYR B 108 1.255 -5.008 1.255 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.310 -6.749 -1.008 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.001 -6.651 0.599 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.120 -7.599 -1.214 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.191 -8.040 2.335 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.617 -9.386 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR B 108 0.694 -9.835 3.085 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.757 -11.185 0.989 1.00 0.00 H new ATOM 1783 N ILE B 109 3.066 -3.427 0.713 1.00 0.00 N ATOM 1784 CA ILE B 109 4.109 -2.452 0.440 1.00 0.00 C ATOM 1785 C ILE B 109 5.405 -2.881 1.113 1.00 0.00 C ATOM 1786 O ILE B 109 5.461 -3.015 2.337 1.00 0.00 O ATOM 1787 CB ILE B 109 3.725 -1.052 0.965 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.343 -0.632 0.453 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.774 -0.018 0.576 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.251 -0.515 -1.051 1.00 0.00 C ATOM 0 H ILE B 109 2.806 -3.497 1.697 1.00 0.00 H new ATOM 0 HA ILE B 109 4.237 -2.401 -0.641 1.00 0.00 H new ATOM 0 HB ILE B 109 3.683 -1.106 2.053 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.605 -1.357 0.796 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.079 0.327 0.898 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.480 0.960 0.958 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.737 -0.299 1.002 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.856 0.026 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.242 -0.214 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.963 0.232 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.482 -1.478 -1.506 1.00 0.00 H new ATOM 1802 N TYR B 110 6.435 -3.117 0.321 1.00 0.00 N ATOM 1803 CA TYR B 110 7.739 -3.472 0.858 1.00 0.00 C ATOM 1804 C TYR B 110 8.756 -2.405 0.486 1.00 0.00 C ATOM 1805 O TYR B 110 8.905 -2.064 -0.686 1.00 0.00 O ATOM 1806 CB TYR B 110 8.203 -4.832 0.332 1.00 0.00 C ATOM 1807 CG TYR B 110 7.290 -5.985 0.687 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.188 -6.291 -0.102 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.540 -6.777 1.800 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.363 -7.352 0.210 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.717 -7.840 2.119 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.629 -8.123 1.320 1.00 0.00 C ATOM 1813 OH TYR B 110 4.812 -9.186 1.628 1.00 0.00 O ATOM 0 H TYR B 110 6.395 -3.070 -0.697 1.00 0.00 H new ATOM 0 HA TYR B 110 7.653 -3.537 1.943 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.293 -4.777 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.199 -5.039 0.724 1.00 0.00 H new ATOM 0 HD1 TYR B 110 5.974 -5.689 -0.973 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.392 -6.558 2.427 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.511 -7.577 -0.414 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.924 -8.446 2.989 1.00 0.00 H new ATOM 0 HH TYR B 110 4.854 -9.363 2.591 1.00 0.00 H new ATOM 1823 N ILE B 111 9.435 -1.872 1.483 1.00 0.00 N ATOM 1824 CA ILE B 111 10.426 -0.834 1.264 1.00 0.00 C ATOM 1825 C ILE B 111 11.683 -1.151 2.059 1.00 0.00 C ATOM 1826 O ILE B 111 11.748 -0.791 3.248 1.00 0.00 O ATOM 1827 CB ILE B 111 9.893 0.563 1.660 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.635 0.896 0.850 1.00 0.00 C ATOM 1829 CG2 ILE B 111 10.964 1.625 1.443 1.00 0.00 C ATOM 1830 CD1 ILE B 111 7.979 2.200 1.242 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.591 -1.796 1.500 1.00 0.00 O ATOM 0 H ILE B 111 9.318 -2.142 2.460 1.00 0.00 H new ATOM 0 HA ILE B 111 10.656 -0.811 0.199 1.00 0.00 H new ATOM 0 HB ILE B 111 9.634 0.550 2.719 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.896 0.936 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.914 0.088 0.970 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.571 2.601 1.727 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.836 1.393 2.055 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.252 1.642 0.392 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.097 2.364 0.623 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.684 2.158 2.291 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.682 3.020 1.095 1.00 0.00 H new