USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 789 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 78 LYS NZ :NH3+ -179:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot 80:sc= 1.4 USER MOD Set 2.1: A 35 SER OG : rot -57:sc= -5.23! USER MOD Set 2.2: A 38 ASN : amide:sc= 0 X(o=-5.2,f=-5.3) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 ASN : amide:sc= -2.61 K(o=-2.6,f=-7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.18) USER MOD Single : A 21 SER OG : rot -20:sc= -2.06 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 50:sc= 0.686 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 45:sc= 0.864 USER MOD Single : A 51 ASN : amide:sc= -0.998 K(o=-1,f=-0.33) USER MOD Single : A 56 SER OG : rot -130:sc= -0.66 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.722 K(o=-0.72,f=-1.9) USER MOD Single : A 66 GLN : amide:sc= -6.29! K(o=-6.3!,f=-3.2) USER MOD Single : A 71 ASN : amide:sc= -10.3! C(o=-10!,f=-10!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 80 ASN : amide:sc= -4.57 K(o=-4.6,f=-6.1!) USER MOD Single : A 81 GLN : amide:sc= -3.96! K(o=-4!,f=-0.42) USER MOD Single : A 84 MET CE :methyl -137:sc= -5.34! (180deg=-10!) USER MOD Single : A 90 SER OG : rot 111:sc= -0.225 USER MOD Single : A 91 MET CE :methyl 180:sc= -7.46! (180deg=-7.46!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.97) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -168:sc= -2.26 (180deg=-2.99) USER MOD Single : A 102 GLN : amide:sc= -11! C(o=-11!,f=-21!) USER MOD Single : B 11 THR OG1 : rot 154:sc= 1.37 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -3.441 -4.281 -8.305 1.00 0.00 N ATOM 47 CA GLU A 10 -3.305 -3.108 -9.159 1.00 0.00 C ATOM 48 C GLU A 10 -2.167 -2.211 -8.680 1.00 0.00 C ATOM 49 O GLU A 10 -1.856 -2.167 -7.489 1.00 0.00 O ATOM 50 CB GLU A 10 -4.614 -2.316 -9.187 1.00 0.00 C ATOM 51 CG GLU A 10 -5.071 -1.846 -7.816 1.00 0.00 C ATOM 52 CD GLU A 10 -6.339 -1.017 -7.878 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.410 -1.592 -8.163 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.261 0.206 -7.640 1.00 0.00 O ATOM 0 HA GLU A 10 -3.073 -3.452 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.491 -1.449 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.395 -2.936 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.238 -2.712 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.278 -1.257 -7.355 1.00 0.00 H new ATOM 61 N PHE A 11 -1.551 -1.497 -9.618 1.00 0.00 N ATOM 62 CA PHE A 11 -0.449 -0.599 -9.297 1.00 0.00 C ATOM 63 C PHE A 11 -0.944 0.834 -9.143 1.00 0.00 C ATOM 64 O PHE A 11 -1.906 1.244 -9.796 1.00 0.00 O ATOM 65 CB PHE A 11 0.623 -0.665 -10.387 1.00 0.00 C ATOM 66 CG PHE A 11 1.101 -2.059 -10.676 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.313 -2.939 -11.403 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.337 -2.491 -10.224 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.749 -4.222 -11.671 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.779 -3.775 -10.489 1.00 0.00 C ATOM 71 CZ PHE A 11 1.984 -4.640 -11.215 1.00 0.00 C ATOM 0 H PHE A 11 -1.798 -1.524 -10.607 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.016 -0.919 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.225 -0.229 -11.303 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.473 -0.053 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.653 -2.617 -11.764 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.963 -1.817 -9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.125 -4.898 -12.237 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.744 -4.100 -10.129 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.327 -5.642 -11.426 1.00 0.00 H new ATOM 81 N LEU A 12 -0.285 1.592 -8.274 1.00 0.00 N ATOM 82 CA LEU A 12 -0.661 2.982 -8.031 1.00 0.00 C ATOM 83 C LEU A 12 0.560 3.896 -8.068 1.00 0.00 C ATOM 84 O LEU A 12 1.402 3.857 -7.171 1.00 0.00 O ATOM 85 CB LEU A 12 -1.366 3.116 -6.678 1.00 0.00 C ATOM 86 CG LEU A 12 -2.298 1.957 -6.306 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.027 1.487 -4.883 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.755 2.370 -6.462 1.00 0.00 C ATOM 0 H LEU A 12 0.512 1.269 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.345 3.286 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.608 3.215 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.945 4.040 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.101 1.128 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.698 0.664 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.994 1.149 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.195 2.311 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.401 1.534 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.965 3.216 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.943 2.656 -7.497 1.00 0.00 H new ATOM 100 N THR A 13 0.648 4.722 -9.106 1.00 0.00 N ATOM 101 CA THR A 13 1.762 5.648 -9.255 1.00 0.00 C ATOM 102 C THR A 13 1.382 7.031 -8.729 1.00 0.00 C ATOM 103 O THR A 13 0.306 7.544 -9.034 1.00 0.00 O ATOM 104 CB THR A 13 2.179 5.738 -10.722 1.00 0.00 C ATOM 105 OG1 THR A 13 2.559 4.464 -11.217 1.00 0.00 O ATOM 106 CG2 THR A 13 3.333 6.685 -10.961 1.00 0.00 C ATOM 0 H THR A 13 -0.041 4.768 -9.857 1.00 0.00 H new ATOM 0 HA THR A 13 2.604 5.275 -8.671 1.00 0.00 H new ATOM 0 HB THR A 13 1.303 6.120 -11.246 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.821 4.543 -12.158 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.577 6.700 -12.023 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.053 7.688 -10.638 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.202 6.350 -10.394 1.00 0.00 H new ATOM 114 N PHE A 14 2.263 7.624 -7.927 1.00 0.00 N ATOM 115 CA PHE A 14 2.001 8.941 -7.353 1.00 0.00 C ATOM 116 C PHE A 14 3.252 9.815 -7.330 1.00 0.00 C ATOM 117 O PHE A 14 4.356 9.355 -7.622 1.00 0.00 O ATOM 118 CB PHE A 14 1.459 8.795 -5.929 1.00 0.00 C ATOM 119 CG PHE A 14 0.214 7.962 -5.841 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.937 8.337 -6.511 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.197 6.803 -5.081 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.085 7.572 -6.429 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.949 6.033 -4.994 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.090 6.417 -5.669 1.00 0.00 C ATOM 0 H PHE A 14 3.159 7.216 -7.661 1.00 0.00 H new ATOM 0 HA PHE A 14 1.261 9.428 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.229 8.349 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.252 9.786 -5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.938 9.239 -7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.087 6.498 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.977 7.876 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.951 5.132 -4.398 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.985 5.816 -5.604 1.00 0.00 H new ATOM 134 N GLU A 15 3.059 11.077 -6.963 1.00 0.00 N ATOM 135 CA GLU A 15 4.150 12.042 -6.869 1.00 0.00 C ATOM 136 C GLU A 15 4.089 12.738 -5.515 1.00 0.00 C ATOM 137 O GLU A 15 3.143 13.472 -5.226 1.00 0.00 O ATOM 138 CB GLU A 15 4.066 13.068 -8.004 1.00 0.00 C ATOM 139 CG GLU A 15 3.279 12.590 -9.214 1.00 0.00 C ATOM 140 CD GLU A 15 1.828 13.032 -9.176 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.536 14.149 -9.651 1.00 0.00 O ATOM 142 OE2 GLU A 15 0.985 12.259 -8.674 1.00 0.00 O ATOM 0 H GLU A 15 2.145 11.460 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 15 5.101 11.517 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.607 13.980 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.076 13.328 -8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.748 12.971 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.323 11.502 -9.265 1.00 0.00 H new ATOM 149 N VAL A 16 5.080 12.473 -4.669 1.00 0.00 N ATOM 150 CA VAL A 16 5.109 13.042 -3.326 1.00 0.00 C ATOM 151 C VAL A 16 6.130 14.171 -3.183 1.00 0.00 C ATOM 152 O VAL A 16 7.337 13.929 -3.206 1.00 0.00 O ATOM 153 CB VAL A 16 5.432 11.955 -2.284 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.304 12.504 -0.874 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.530 10.747 -2.479 1.00 0.00 C ATOM 0 H VAL A 16 5.872 11.869 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 16 4.116 13.456 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 16 6.465 11.638 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.537 11.718 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.998 13.334 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.285 12.854 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.772 9.988 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.489 11.048 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.682 10.337 -3.477 1.00 0.00 H new ATOM 165 N PRO A 17 5.663 15.423 -3.000 1.00 0.00 N ATOM 166 CA PRO A 17 6.540 16.576 -2.819 1.00 0.00 C ATOM 167 C PRO A 17 7.021 16.678 -1.372 1.00 0.00 C ATOM 168 O PRO A 17 6.213 16.651 -0.447 1.00 0.00 O ATOM 169 CB PRO A 17 5.649 17.778 -3.173 1.00 0.00 C ATOM 170 CG PRO A 17 4.284 17.225 -3.464 1.00 0.00 C ATOM 171 CD PRO A 17 4.255 15.819 -2.929 1.00 0.00 C ATOM 0 HA PRO A 17 7.438 16.515 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.612 18.490 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.044 18.312 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.513 17.833 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.085 17.234 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.874 15.781 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.620 15.169 -3.531 1.00 0.00 H new ATOM 179 N LEU A 18 8.334 16.779 -1.178 1.00 0.00 N ATOM 180 CA LEU A 18 8.895 16.860 0.169 1.00 0.00 C ATOM 181 C LEU A 18 9.717 18.123 0.370 1.00 0.00 C ATOM 182 O LEU A 18 10.647 18.143 1.176 1.00 0.00 O ATOM 183 CB LEU A 18 9.772 15.647 0.433 1.00 0.00 C ATOM 184 CG LEU A 18 10.812 15.408 -0.651 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.156 15.046 -0.042 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.344 14.326 -1.608 1.00 0.00 C ATOM 0 H LEU A 18 9.024 16.807 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 18 8.060 16.886 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.278 15.775 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.140 14.763 0.522 1.00 0.00 H new ATOM 0 HG LEU A 18 10.937 16.333 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.883 14.880 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.497 15.860 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.054 14.138 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.100 14.168 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.186 13.398 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.409 14.634 -2.076 1.00 0.00 H new ATOM 198 N ASN A 19 9.364 19.172 -0.355 1.00 0.00 N ATOM 199 CA ASN A 19 10.060 20.460 -0.255 1.00 0.00 C ATOM 200 C ASN A 19 10.441 20.772 1.194 1.00 0.00 C ATOM 201 O ASN A 19 11.460 21.409 1.459 1.00 0.00 O ATOM 202 CB ASN A 19 9.182 21.588 -0.803 1.00 0.00 C ATOM 203 CG ASN A 19 7.697 21.287 -0.688 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.009 21.111 -1.694 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.197 21.230 0.541 1.00 0.00 N ATOM 0 H ASN A 19 8.595 19.164 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 19 10.971 20.388 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.404 22.509 -0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.433 21.762 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.206 21.034 0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.804 21.382 1.346 1.00 0.00 H new ATOM 212 N ASP A 20 9.613 20.303 2.123 1.00 0.00 N ATOM 213 CA ASP A 20 9.851 20.511 3.546 1.00 0.00 C ATOM 214 C ASP A 20 10.176 19.189 4.222 1.00 0.00 C ATOM 215 O ASP A 20 10.962 19.133 5.169 1.00 0.00 O ATOM 216 CB ASP A 20 8.626 21.138 4.211 1.00 0.00 C ATOM 217 CG ASP A 20 8.242 22.465 3.585 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.145 23.292 3.346 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.037 22.677 3.336 1.00 0.00 O ATOM 0 H ASP A 20 8.767 19.774 1.913 1.00 0.00 H new ATOM 0 HA ASP A 20 10.697 21.190 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.785 20.449 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.828 21.285 5.272 1.00 0.00 H new ATOM 224 N SER A 21 9.561 18.123 3.724 1.00 0.00 N ATOM 225 CA SER A 21 9.773 16.790 4.264 1.00 0.00 C ATOM 226 C SER A 21 11.178 16.280 3.942 1.00 0.00 C ATOM 227 O SER A 21 11.589 15.230 4.435 1.00 0.00 O ATOM 228 CB SER A 21 8.722 15.828 3.711 1.00 0.00 C ATOM 229 OG SER A 21 8.987 14.494 4.110 1.00 0.00 O ATOM 0 H SER A 21 8.908 18.159 2.942 1.00 0.00 H new ATOM 0 HA SER A 21 9.675 16.843 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.733 16.125 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.707 15.889 2.623 1.00 0.00 H new ATOM 0 HG SER A 21 9.929 14.411 4.368 1.00 0.00 H new ATOM 235 N GLY A 22 11.915 17.027 3.113 1.00 0.00 N ATOM 236 CA GLY A 22 13.265 16.625 2.751 1.00 0.00 C ATOM 237 C GLY A 22 14.082 16.168 3.946 1.00 0.00 C ATOM 238 O GLY A 22 14.980 15.336 3.811 1.00 0.00 O ATOM 0 H GLY A 22 11.600 17.899 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.215 15.818 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.771 17.461 2.269 1.00 0.00 H new ATOM 242 N SER A 23 13.765 16.707 5.120 1.00 0.00 N ATOM 243 CA SER A 23 14.469 16.345 6.343 1.00 0.00 C ATOM 244 C SER A 23 13.868 15.083 6.956 1.00 0.00 C ATOM 245 O SER A 23 14.580 14.266 7.542 1.00 0.00 O ATOM 246 CB SER A 23 14.410 17.494 7.350 1.00 0.00 C ATOM 247 OG SER A 23 15.451 17.387 8.308 1.00 0.00 O ATOM 0 H SER A 23 13.024 17.396 5.249 1.00 0.00 H new ATOM 0 HA SER A 23 15.511 16.148 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.491 18.446 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.444 17.489 7.856 1.00 0.00 H new ATOM 0 HG SER A 23 15.392 18.134 8.940 1.00 0.00 H new ATOM 253 N ALA A 24 12.556 14.932 6.811 1.00 0.00 N ATOM 254 CA ALA A 24 11.854 13.770 7.346 1.00 0.00 C ATOM 255 C ALA A 24 11.823 12.625 6.334 1.00 0.00 C ATOM 256 O ALA A 24 11.131 11.627 6.541 1.00 0.00 O ATOM 257 CB ALA A 24 10.435 14.152 7.745 1.00 0.00 C ATOM 0 H ALA A 24 11.956 15.600 6.327 1.00 0.00 H new ATOM 0 HA ALA A 24 12.396 13.427 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.921 13.277 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.468 14.931 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.898 14.522 6.871 1.00 0.00 H new ATOM 263 N GLY A 25 12.566 12.771 5.238 1.00 0.00 N ATOM 264 CA GLY A 25 12.590 11.741 4.218 1.00 0.00 C ATOM 265 C GLY A 25 11.407 11.848 3.276 1.00 0.00 C ATOM 266 O GLY A 25 11.575 11.946 2.060 1.00 0.00 O ATOM 0 H GLY A 25 13.150 13.584 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.516 11.817 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.588 10.760 4.693 1.00 0.00 H new ATOM 270 N LEU A 26 10.207 11.838 3.846 1.00 0.00 N ATOM 271 CA LEU A 26 8.983 11.948 3.063 1.00 0.00 C ATOM 272 C LEU A 26 7.763 12.008 3.977 1.00 0.00 C ATOM 273 O LEU A 26 6.791 12.695 3.675 1.00 0.00 O ATOM 274 CB LEU A 26 8.856 10.781 2.082 1.00 0.00 C ATOM 275 CG LEU A 26 8.134 11.115 0.773 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.711 12.376 0.143 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.223 9.946 -0.196 1.00 0.00 C ATOM 0 H LEU A 26 10.056 11.754 4.851 1.00 0.00 H new ATOM 0 HA LEU A 26 9.032 12.874 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.855 10.414 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.325 9.967 2.575 1.00 0.00 H new ATOM 0 HG LEU A 26 7.084 11.298 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.183 12.593 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.594 13.213 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.770 12.225 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.705 10.200 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.270 9.732 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.758 9.067 0.251 1.00 0.00 H new ATOM 289 N GLY A 27 7.825 11.300 5.101 1.00 0.00 N ATOM 290 CA GLY A 27 6.718 11.315 6.038 1.00 0.00 C ATOM 291 C GLY A 27 5.984 9.990 6.131 1.00 0.00 C ATOM 292 O GLY A 27 4.753 9.966 6.152 1.00 0.00 O ATOM 0 H GLY A 27 8.617 10.720 5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.092 11.584 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.013 12.092 5.742 1.00 0.00 H new ATOM 296 N VAL A 28 6.726 8.887 6.199 1.00 0.00 N ATOM 297 CA VAL A 28 6.107 7.568 6.301 1.00 0.00 C ATOM 298 C VAL A 28 7.063 6.535 6.886 1.00 0.00 C ATOM 299 O VAL A 28 8.269 6.764 6.979 1.00 0.00 O ATOM 300 CB VAL A 28 5.621 7.052 4.930 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.666 8.038 4.287 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.798 6.766 4.008 1.00 0.00 C ATOM 0 H VAL A 28 7.746 8.879 6.186 1.00 0.00 H new ATOM 0 HA VAL A 28 5.253 7.694 6.967 1.00 0.00 H new ATOM 0 HB VAL A 28 5.084 6.118 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.338 7.651 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.800 8.181 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.172 8.993 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.429 6.404 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.371 7.681 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.438 6.009 4.460 1.00 0.00 H new ATOM 312 N SER A 29 6.508 5.386 7.250 1.00 0.00 N ATOM 313 CA SER A 29 7.287 4.285 7.799 1.00 0.00 C ATOM 314 C SER A 29 7.003 3.020 6.999 1.00 0.00 C ATOM 315 O SER A 29 5.867 2.548 6.959 1.00 0.00 O ATOM 316 CB SER A 29 6.954 4.068 9.277 1.00 0.00 C ATOM 317 OG SER A 29 5.780 4.773 9.647 1.00 0.00 O ATOM 0 H SER A 29 5.510 5.192 7.173 1.00 0.00 H new ATOM 0 HA SER A 29 8.347 4.529 7.727 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.818 3.004 9.469 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.790 4.399 9.893 1.00 0.00 H new ATOM 0 HG SER A 29 5.067 4.582 9.003 1.00 0.00 H new ATOM 323 N VAL A 30 8.026 2.491 6.340 1.00 0.00 N ATOM 324 CA VAL A 30 7.864 1.294 5.521 1.00 0.00 C ATOM 325 C VAL A 30 8.579 0.091 6.122 1.00 0.00 C ATOM 326 O VAL A 30 9.654 0.220 6.710 1.00 0.00 O ATOM 327 CB VAL A 30 8.386 1.519 4.088 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.327 2.198 3.234 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.672 2.335 4.103 1.00 0.00 C ATOM 0 H VAL A 30 8.973 2.869 6.355 1.00 0.00 H new ATOM 0 HA VAL A 30 6.794 1.089 5.490 1.00 0.00 H new ATOM 0 HB VAL A 30 8.608 0.546 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.714 2.348 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.437 1.570 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.070 3.163 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.022 2.481 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.482 3.304 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.433 1.804 4.675 1.00 0.00 H new ATOM 339 N LYS A 31 7.974 -1.081 5.960 1.00 0.00 N ATOM 340 CA LYS A 31 8.547 -2.320 6.472 1.00 0.00 C ATOM 341 C LYS A 31 8.391 -3.440 5.448 1.00 0.00 C ATOM 342 O LYS A 31 7.322 -3.615 4.864 1.00 0.00 O ATOM 343 CB LYS A 31 7.881 -2.717 7.794 1.00 0.00 C ATOM 344 CG LYS A 31 6.412 -3.085 7.656 1.00 0.00 C ATOM 345 CD LYS A 31 5.934 -3.912 8.839 1.00 0.00 C ATOM 346 CE LYS A 31 5.870 -5.392 8.494 1.00 0.00 C ATOM 347 NZ LYS A 31 4.723 -6.071 9.160 1.00 0.00 N ATOM 0 H LYS A 31 7.084 -1.199 5.476 1.00 0.00 H new ATOM 0 HA LYS A 31 9.609 -2.156 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.419 -3.563 8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.974 -1.891 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.814 -2.177 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.261 -3.645 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.606 -3.763 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.948 -3.567 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.783 -5.509 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.800 -5.875 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.716 -7.078 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.818 -5.982 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.833 -5.628 8.855 1.00 0.00 H new ATOM 361 N GLY A 32 9.463 -4.190 5.225 1.00 0.00 N ATOM 362 CA GLY A 32 9.418 -5.273 4.263 1.00 0.00 C ATOM 363 C GLY A 32 9.235 -6.630 4.910 1.00 0.00 C ATOM 364 O GLY A 32 9.709 -6.866 6.022 1.00 0.00 O ATOM 0 H GLY A 32 10.361 -4.068 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.601 -5.097 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.340 -5.275 3.682 1.00 0.00 H new ATOM 368 N ASN A 33 8.548 -7.524 4.209 1.00 0.00 N ATOM 369 CA ASN A 33 8.304 -8.870 4.713 1.00 0.00 C ATOM 370 C ASN A 33 8.740 -9.916 3.698 1.00 0.00 C ATOM 371 O ASN A 33 8.382 -9.844 2.524 1.00 0.00 O ATOM 372 CB ASN A 33 6.821 -9.058 5.040 1.00 0.00 C ATOM 373 CG ASN A 33 6.322 -8.055 6.062 1.00 0.00 C ATOM 374 OD1 ASN A 33 7.049 -7.671 6.979 1.00 0.00 O ATOM 375 ND2 ASN A 33 5.074 -7.626 5.910 1.00 0.00 N ATOM 0 H ASN A 33 8.149 -7.341 3.288 1.00 0.00 H new ATOM 0 HA ASN A 33 8.890 -8.998 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.235 -8.963 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.660 -10.068 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.683 -6.952 6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.507 -7.971 5.135 1.00 0.00 H new ATOM 382 N ARG A 34 9.513 -10.893 4.159 1.00 0.00 N ATOM 383 CA ARG A 34 9.992 -11.959 3.290 1.00 0.00 C ATOM 384 C ARG A 34 9.131 -13.206 3.452 1.00 0.00 C ATOM 385 O ARG A 34 8.640 -13.493 4.545 1.00 0.00 O ATOM 386 CB ARG A 34 11.456 -12.287 3.595 1.00 0.00 C ATOM 387 CG ARG A 34 11.781 -12.314 5.080 1.00 0.00 C ATOM 388 CD ARG A 34 12.890 -13.305 5.394 1.00 0.00 C ATOM 389 NE ARG A 34 14.060 -12.652 5.978 1.00 0.00 N ATOM 390 CZ ARG A 34 14.056 -12.045 7.163 1.00 0.00 C ATOM 391 NH1 ARG A 34 12.947 -12.003 7.892 1.00 0.00 N ATOM 392 NH2 ARG A 34 15.164 -11.479 7.621 1.00 0.00 N ATOM 0 H ARG A 34 9.820 -10.968 5.129 1.00 0.00 H new ATOM 0 HA ARG A 34 9.921 -11.615 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.700 -13.257 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.093 -11.550 3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.080 -11.318 5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.886 -12.578 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.515 -14.061 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.182 -13.823 4.481 1.00 0.00 H new ATOM 0 HE ARG A 34 14.931 -12.662 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.092 -12.437 7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.950 -11.536 8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.019 -11.509 7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.161 -11.014 8.529 1.00 0.00 H new ATOM 406 N SER A 35 8.946 -13.941 2.359 1.00 0.00 N ATOM 407 CA SER A 35 8.137 -15.158 2.375 1.00 0.00 C ATOM 408 C SER A 35 8.451 -16.016 3.599 1.00 0.00 C ATOM 409 O SER A 35 9.613 -16.285 3.901 1.00 0.00 O ATOM 410 CB SER A 35 8.369 -15.968 1.098 1.00 0.00 C ATOM 411 OG SER A 35 7.642 -15.426 0.010 1.00 0.00 O ATOM 0 H SER A 35 9.346 -13.715 1.448 1.00 0.00 H new ATOM 0 HA SER A 35 7.090 -14.861 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.432 -15.979 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.068 -17.003 1.261 1.00 0.00 H new ATOM 0 HG SER A 35 6.689 -15.395 0.236 1.00 0.00 H new ATOM 417 N LYS A 36 7.407 -16.436 4.304 1.00 0.00 N ATOM 418 CA LYS A 36 7.568 -17.255 5.500 1.00 0.00 C ATOM 419 C LYS A 36 8.118 -18.638 5.163 1.00 0.00 C ATOM 420 O LYS A 36 8.651 -19.328 6.032 1.00 0.00 O ATOM 421 CB LYS A 36 6.230 -17.392 6.230 1.00 0.00 C ATOM 422 CG LYS A 36 5.098 -17.877 5.339 1.00 0.00 C ATOM 423 CD LYS A 36 4.096 -16.769 5.055 1.00 0.00 C ATOM 424 CE LYS A 36 2.980 -17.249 4.141 1.00 0.00 C ATOM 425 NZ LYS A 36 2.370 -16.128 3.375 1.00 0.00 N ATOM 0 H LYS A 36 6.438 -16.222 4.068 1.00 0.00 H new ATOM 0 HA LYS A 36 8.287 -16.755 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.349 -18.086 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.958 -16.427 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.507 -18.248 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.590 -18.714 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.671 -16.412 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.607 -15.924 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.373 -17.992 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.211 -17.744 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.614 -16.496 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.972 -15.431 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.098 -15.672 2.788 1.00 0.00 H new ATOM 439 N GLU A 37 7.984 -19.045 3.903 1.00 0.00 N ATOM 440 CA GLU A 37 8.466 -20.352 3.471 1.00 0.00 C ATOM 441 C GLU A 37 9.736 -20.229 2.635 1.00 0.00 C ATOM 442 O GLU A 37 10.687 -20.989 2.817 1.00 0.00 O ATOM 443 CB GLU A 37 7.383 -21.079 2.671 1.00 0.00 C ATOM 444 CG GLU A 37 6.701 -20.205 1.632 1.00 0.00 C ATOM 445 CD GLU A 37 5.679 -20.966 0.811 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.092 -21.777 -0.046 1.00 0.00 O ATOM 447 OE2 GLU A 37 4.467 -20.751 1.021 1.00 0.00 O ATOM 0 H GLU A 37 7.547 -18.490 3.167 1.00 0.00 H new ATOM 0 HA GLU A 37 8.703 -20.930 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.828 -21.940 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.631 -21.463 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.211 -19.369 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.454 -19.782 0.967 1.00 0.00 H new ATOM 454 N ASN A 38 9.745 -19.273 1.712 1.00 0.00 N ATOM 455 CA ASN A 38 10.899 -19.059 0.843 1.00 0.00 C ATOM 456 C ASN A 38 11.917 -18.120 1.485 1.00 0.00 C ATOM 457 O ASN A 38 13.069 -18.059 1.058 1.00 0.00 O ATOM 458 CB ASN A 38 10.447 -18.493 -0.505 1.00 0.00 C ATOM 459 CG ASN A 38 9.358 -19.331 -1.146 1.00 0.00 C ATOM 460 OD1 ASN A 38 9.500 -20.545 -1.298 1.00 0.00 O ATOM 461 ND2 ASN A 38 8.261 -18.686 -1.526 1.00 0.00 N ATOM 0 H ASN A 38 8.967 -18.634 1.546 1.00 0.00 H new ATOM 0 HA ASN A 38 11.381 -20.024 0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.084 -17.475 -0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.303 -18.437 -1.178 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.494 -19.197 -1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.185 -17.679 -1.381 1.00 0.00 H new ATOM 468 N HIS A 39 11.489 -17.385 2.508 1.00 0.00 N ATOM 469 CA HIS A 39 12.372 -16.450 3.196 1.00 0.00 C ATOM 470 C HIS A 39 12.870 -15.367 2.240 1.00 0.00 C ATOM 471 O HIS A 39 13.893 -14.730 2.489 1.00 0.00 O ATOM 472 CB HIS A 39 13.561 -17.193 3.808 1.00 0.00 C ATOM 473 CG HIS A 39 13.281 -17.752 5.169 1.00 0.00 C ATOM 474 ND1 HIS A 39 12.946 -16.967 6.251 1.00 0.00 N ATOM 475 CD2 HIS A 39 13.287 -19.030 5.620 1.00 0.00 C ATOM 476 CE1 HIS A 39 12.759 -17.736 7.310 1.00 0.00 C ATOM 477 NE2 HIS A 39 12.959 -18.991 6.953 1.00 0.00 N ATOM 0 H HIS A 39 10.539 -17.419 2.877 1.00 0.00 H new ATOM 0 HA HIS A 39 11.803 -15.972 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.852 -18.006 3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.411 -16.513 3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 39 13.508 -19.914 5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.489 -17.395 8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.882 -19.801 7.568 1.00 0.00 H new ATOM 486 N ALA A 40 12.139 -15.165 1.148 1.00 0.00 N ATOM 487 CA ALA A 40 12.503 -14.161 0.156 1.00 0.00 C ATOM 488 C ALA A 40 11.692 -12.885 0.347 1.00 0.00 C ATOM 489 O ALA A 40 10.478 -12.933 0.536 1.00 0.00 O ATOM 490 CB ALA A 40 12.298 -14.711 -1.247 1.00 0.00 C ATOM 0 H ALA A 40 11.289 -15.685 0.928 1.00 0.00 H new ATOM 0 HA ALA A 40 13.557 -13.916 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.573 -13.952 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.923 -15.593 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.251 -14.983 -1.382 1.00 0.00 H new ATOM 496 N ASP A 41 12.372 -11.745 0.296 1.00 0.00 N ATOM 497 CA ASP A 41 11.719 -10.451 0.466 1.00 0.00 C ATOM 498 C ASP A 41 10.496 -10.323 -0.440 1.00 0.00 C ATOM 499 O ASP A 41 10.585 -10.523 -1.651 1.00 0.00 O ATOM 500 CB ASP A 41 12.704 -9.321 0.166 1.00 0.00 C ATOM 501 CG ASP A 41 13.403 -9.504 -1.167 1.00 0.00 C ATOM 502 OD1 ASP A 41 12.813 -9.125 -2.201 1.00 0.00 O ATOM 503 OD2 ASP A 41 14.537 -10.022 -1.176 1.00 0.00 O ATOM 0 H ASP A 41 13.378 -11.690 0.138 1.00 0.00 H new ATOM 0 HA ASP A 41 11.386 -10.378 1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.173 -8.369 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.449 -9.271 0.960 1.00 0.00 H new ATOM 508 N LEU A 42 9.358 -9.982 0.157 1.00 0.00 N ATOM 509 CA LEU A 42 8.119 -9.817 -0.595 1.00 0.00 C ATOM 510 C LEU A 42 7.909 -8.356 -0.986 1.00 0.00 C ATOM 511 O LEU A 42 7.140 -8.053 -1.898 1.00 0.00 O ATOM 512 CB LEU A 42 6.924 -10.312 0.226 1.00 0.00 C ATOM 513 CG LEU A 42 7.059 -11.727 0.795 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.784 -12.131 1.520 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.383 -12.720 -0.315 1.00 0.00 C ATOM 0 H LEU A 42 9.268 -9.815 1.159 1.00 0.00 H new ATOM 0 HA LEU A 42 8.197 -10.412 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.761 -9.620 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.033 -10.274 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 42 7.880 -11.735 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.896 -13.139 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.595 -11.436 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.946 -12.107 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.475 -13.721 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.583 -12.711 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.322 -12.439 -0.792 1.00 0.00 H new ATOM 527 N GLY A 43 8.594 -7.454 -0.289 1.00 0.00 N ATOM 528 CA GLY A 43 8.464 -6.037 -0.578 1.00 0.00 C ATOM 529 C GLY A 43 8.164 -5.221 0.665 1.00 0.00 C ATOM 530 O GLY A 43 7.864 -5.779 1.720 1.00 0.00 O ATOM 0 H GLY A 43 9.237 -7.679 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.386 -5.675 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.668 -5.889 -1.308 1.00 0.00 H new ATOM 534 N ILE A 44 8.238 -3.900 0.538 1.00 0.00 N ATOM 535 CA ILE A 44 7.969 -3.005 1.659 1.00 0.00 C ATOM 536 C ILE A 44 6.577 -2.390 1.555 1.00 0.00 C ATOM 537 O ILE A 44 6.195 -1.866 0.508 1.00 0.00 O ATOM 538 CB ILE A 44 9.013 -1.870 1.744 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.276 -1.280 0.357 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.308 -2.377 2.370 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.409 -1.954 -0.388 1.00 0.00 C ATOM 0 H ILE A 44 8.482 -3.425 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 44 8.029 -3.612 2.562 1.00 0.00 H new ATOM 0 HB ILE A 44 8.614 -1.081 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.366 -1.356 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.502 -0.219 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.031 -1.563 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.106 -2.746 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.714 -3.185 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.536 -1.482 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.331 -1.856 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.177 -3.010 -0.524 1.00 0.00 H new ATOM 553 N PHE A 45 5.824 -2.451 2.649 1.00 0.00 N ATOM 554 CA PHE A 45 4.472 -1.898 2.687 1.00 0.00 C ATOM 555 C PHE A 45 4.408 -0.711 3.640 1.00 0.00 C ATOM 556 O PHE A 45 5.104 -0.682 4.656 1.00 0.00 O ATOM 557 CB PHE A 45 3.458 -2.962 3.121 1.00 0.00 C ATOM 558 CG PHE A 45 3.885 -4.376 2.837 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.868 -4.982 3.605 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.306 -5.098 1.808 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.263 -6.281 3.352 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.697 -6.397 1.548 1.00 0.00 C ATOM 563 CZ PHE A 45 4.677 -6.989 2.321 1.00 0.00 C ATOM 0 H PHE A 45 6.127 -2.879 3.524 1.00 0.00 H new ATOM 0 HA PHE A 45 4.219 -1.563 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.275 -2.858 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.511 -2.772 2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.330 -4.431 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.539 -4.640 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.028 -6.742 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.237 -6.949 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.985 -8.004 2.119 1.00 0.00 H new ATOM 573 N VAL A 46 3.565 0.264 3.313 1.00 0.00 N ATOM 574 CA VAL A 46 3.413 1.446 4.154 1.00 0.00 C ATOM 575 C VAL A 46 2.929 1.054 5.547 1.00 0.00 C ATOM 576 O VAL A 46 1.761 0.721 5.737 1.00 0.00 O ATOM 577 CB VAL A 46 2.430 2.461 3.536 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.335 3.711 4.399 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.852 2.816 2.119 1.00 0.00 C ATOM 0 H VAL A 46 2.980 0.259 2.477 1.00 0.00 H new ATOM 0 HA VAL A 46 4.393 1.917 4.228 1.00 0.00 H new ATOM 0 HB VAL A 46 1.442 2.002 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.637 4.414 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.982 3.440 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.318 4.175 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.147 3.533 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.850 3.255 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.862 1.915 1.506 1.00 0.00 H new ATOM 589 N LYS A 47 3.841 1.086 6.514 1.00 0.00 N ATOM 590 CA LYS A 47 3.516 0.729 7.892 1.00 0.00 C ATOM 591 C LYS A 47 2.732 1.845 8.572 1.00 0.00 C ATOM 592 O LYS A 47 1.791 1.588 9.323 1.00 0.00 O ATOM 593 CB LYS A 47 4.793 0.434 8.682 1.00 0.00 C ATOM 594 CG LYS A 47 4.538 0.051 10.131 1.00 0.00 C ATOM 595 CD LYS A 47 4.350 -1.450 10.287 1.00 0.00 C ATOM 596 CE LYS A 47 3.729 -1.794 11.631 1.00 0.00 C ATOM 597 NZ LYS A 47 4.052 -3.186 12.050 1.00 0.00 N ATOM 0 H LYS A 47 4.814 1.356 6.369 1.00 0.00 H new ATOM 0 HA LYS A 47 2.896 -0.167 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.335 -0.374 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.438 1.312 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.374 0.380 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.651 0.569 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.714 -1.824 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.313 -1.951 10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.087 -1.095 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.647 -1.674 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.611 -3.383 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.688 -3.855 11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.083 -3.294 12.130 1.00 0.00 H new ATOM 611 N SER A 48 3.126 3.084 8.304 1.00 0.00 N ATOM 612 CA SER A 48 2.458 4.237 8.891 1.00 0.00 C ATOM 613 C SER A 48 2.910 5.528 8.222 1.00 0.00 C ATOM 614 O SER A 48 4.105 5.812 8.138 1.00 0.00 O ATOM 615 CB SER A 48 2.731 4.302 10.395 1.00 0.00 C ATOM 616 OG SER A 48 1.695 3.674 11.130 1.00 0.00 O ATOM 0 H SER A 48 3.903 3.315 7.685 1.00 0.00 H new ATOM 0 HA SER A 48 1.386 4.124 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.682 3.818 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.823 5.343 10.706 1.00 0.00 H new ATOM 0 HG SER A 48 1.466 2.819 10.708 1.00 0.00 H new ATOM 622 N ILE A 49 1.947 6.311 7.748 1.00 0.00 N ATOM 623 CA ILE A 49 2.245 7.574 7.088 1.00 0.00 C ATOM 624 C ILE A 49 2.179 8.733 8.071 1.00 0.00 C ATOM 625 O ILE A 49 1.144 8.982 8.690 1.00 0.00 O ATOM 626 CB ILE A 49 1.273 7.842 5.922 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.336 6.699 4.913 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.587 9.172 5.246 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.381 6.867 3.751 1.00 0.00 C ATOM 0 H ILE A 49 0.953 6.092 7.809 1.00 0.00 H new ATOM 0 HA ILE A 49 3.258 7.495 6.693 1.00 0.00 H new ATOM 0 HB ILE A 49 0.261 7.900 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.353 6.620 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.114 5.762 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.887 9.338 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.494 9.980 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.604 9.150 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.479 6.019 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.642 6.916 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.617 7.787 3.217 1.00 0.00 H new ATOM 641 N ILE A 50 3.291 9.445 8.203 1.00 0.00 N ATOM 642 CA ILE A 50 3.362 10.588 9.104 1.00 0.00 C ATOM 643 C ILE A 50 2.321 11.634 8.720 1.00 0.00 C ATOM 644 O ILE A 50 2.441 12.291 7.686 1.00 0.00 O ATOM 645 CB ILE A 50 4.774 11.227 9.093 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.753 10.363 9.892 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.744 12.643 9.661 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.776 9.645 9.041 1.00 0.00 C ATOM 0 H ILE A 50 4.156 9.251 7.698 1.00 0.00 H new ATOM 0 HA ILE A 50 3.156 10.227 10.112 1.00 0.00 H new ATOM 0 HB ILE A 50 5.109 11.283 8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.273 10.994 10.613 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.188 9.626 10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.749 13.065 9.640 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.078 13.262 9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.384 12.615 10.689 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.432 9.055 9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.266 8.986 8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.368 10.376 8.490 1.00 0.00 H new ATOM 660 N ASN A 51 1.298 11.780 9.558 1.00 0.00 N ATOM 661 CA ASN A 51 0.234 12.745 9.303 1.00 0.00 C ATOM 662 C ASN A 51 0.772 14.170 9.369 1.00 0.00 C ATOM 663 O ASN A 51 0.509 14.905 10.321 1.00 0.00 O ATOM 664 CB ASN A 51 -0.903 12.568 10.312 1.00 0.00 C ATOM 665 CG ASN A 51 -0.400 12.463 11.738 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.209 13.470 12.419 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.182 11.235 12.197 1.00 0.00 N ATOM 0 H ASN A 51 1.184 11.243 10.418 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.154 12.565 8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.589 13.411 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.470 11.671 10.063 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.157 11.099 13.149 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.354 10.428 11.597 1.00 0.00 H new ATOM 674 N GLY A 52 1.531 14.549 8.348 1.00 0.00 N ATOM 675 CA GLY A 52 2.103 15.879 8.298 1.00 0.00 C ATOM 676 C GLY A 52 3.228 15.983 7.286 1.00 0.00 C ATOM 677 O GLY A 52 3.499 17.062 6.759 1.00 0.00 O ATOM 0 H GLY A 52 1.761 13.955 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.324 16.598 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.479 16.148 9.285 1.00 0.00 H new ATOM 681 N GLY A 53 3.887 14.859 7.015 1.00 0.00 N ATOM 682 CA GLY A 53 4.979 14.856 6.063 1.00 0.00 C ATOM 683 C GLY A 53 4.511 15.040 4.632 1.00 0.00 C ATOM 684 O GLY A 53 3.374 15.440 4.384 1.00 0.00 O ATOM 0 H GLY A 53 3.683 13.953 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.679 15.652 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.523 13.915 6.144 1.00 0.00 H new ATOM 688 N ALA A 54 5.402 14.750 3.693 1.00 0.00 N ATOM 689 CA ALA A 54 5.107 14.882 2.271 1.00 0.00 C ATOM 690 C ALA A 54 4.093 13.846 1.800 1.00 0.00 C ATOM 691 O ALA A 54 3.193 14.155 1.020 1.00 0.00 O ATOM 692 CB ALA A 54 6.389 14.755 1.469 1.00 0.00 C ATOM 0 H ALA A 54 6.345 14.418 3.893 1.00 0.00 H new ATOM 0 HA ALA A 54 4.667 15.866 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.165 14.854 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.084 15.539 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.840 13.780 1.655 1.00 0.00 H new ATOM 698 N ALA A 55 4.253 12.615 2.265 1.00 0.00 N ATOM 699 CA ALA A 55 3.358 11.530 1.877 1.00 0.00 C ATOM 700 C ALA A 55 1.935 11.795 2.339 1.00 0.00 C ATOM 701 O ALA A 55 0.979 11.592 1.591 1.00 0.00 O ATOM 702 CB ALA A 55 3.855 10.212 2.437 1.00 0.00 C ATOM 0 H ALA A 55 4.993 12.341 2.911 1.00 0.00 H new ATOM 0 HA ALA A 55 3.353 11.474 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.177 9.412 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.853 10.005 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.893 10.270 3.525 1.00 0.00 H new ATOM 708 N SER A 56 1.802 12.255 3.575 1.00 0.00 N ATOM 709 CA SER A 56 0.490 12.553 4.135 1.00 0.00 C ATOM 710 C SER A 56 -0.115 13.762 3.437 1.00 0.00 C ATOM 711 O SER A 56 -1.330 13.849 3.254 1.00 0.00 O ATOM 712 CB SER A 56 0.600 12.816 5.636 1.00 0.00 C ATOM 713 OG SER A 56 -0.634 13.262 6.169 1.00 0.00 O ATOM 0 H SER A 56 2.583 12.430 4.208 1.00 0.00 H new ATOM 0 HA SER A 56 -0.159 11.692 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.911 11.904 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.371 13.564 5.821 1.00 0.00 H new ATOM 0 HG SER A 56 -0.487 14.072 6.701 1.00 0.00 H new ATOM 719 N LYS A 57 0.748 14.691 3.044 1.00 0.00 N ATOM 720 CA LYS A 57 0.320 15.900 2.358 1.00 0.00 C ATOM 721 C LYS A 57 -0.119 15.589 0.933 1.00 0.00 C ATOM 722 O LYS A 57 -1.010 16.241 0.389 1.00 0.00 O ATOM 723 CB LYS A 57 1.447 16.914 2.357 1.00 0.00 C ATOM 724 CG LYS A 57 1.575 17.628 3.684 1.00 0.00 C ATOM 725 CD LYS A 57 2.770 18.544 3.692 1.00 0.00 C ATOM 726 CE LYS A 57 2.458 19.850 2.985 1.00 0.00 C ATOM 727 NZ LYS A 57 3.550 20.850 3.153 1.00 0.00 N ATOM 0 H LYS A 57 1.755 14.627 3.191 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.535 16.318 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.386 16.411 2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.274 17.646 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.670 18.203 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.668 16.897 4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.071 18.746 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.612 18.054 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.301 19.659 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.527 20.261 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.297 21.727 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.683 21.052 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.433 20.469 2.757 1.00 0.00 H new ATOM 741 N ASP A 58 0.513 14.582 0.337 1.00 0.00 N ATOM 742 CA ASP A 58 0.189 14.172 -1.024 1.00 0.00 C ATOM 743 C ASP A 58 -1.233 13.622 -1.098 1.00 0.00 C ATOM 744 O ASP A 58 -1.865 13.651 -2.155 1.00 0.00 O ATOM 745 CB ASP A 58 1.184 13.116 -1.509 1.00 0.00 C ATOM 746 CG ASP A 58 1.489 13.246 -2.988 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.535 14.390 -3.486 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.682 12.203 -3.648 1.00 0.00 O ATOM 0 H ASP A 58 1.253 14.035 0.777 1.00 0.00 H new ATOM 0 HA ASP A 58 0.256 15.047 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.110 13.205 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.782 12.123 -1.310 1.00 0.00 H new ATOM 753 N GLY A 59 -1.729 13.122 0.030 1.00 0.00 N ATOM 754 CA GLY A 59 -3.071 12.573 0.072 1.00 0.00 C ATOM 755 C GLY A 59 -3.260 11.422 -0.898 1.00 0.00 C ATOM 756 O GLY A 59 -4.362 11.199 -1.399 1.00 0.00 O ATOM 0 H GLY A 59 -1.224 13.088 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.288 12.230 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.789 13.360 -0.159 1.00 0.00 H new ATOM 760 N ARG A 60 -2.182 10.691 -1.165 1.00 0.00 N ATOM 761 CA ARG A 60 -2.237 9.560 -2.083 1.00 0.00 C ATOM 762 C ARG A 60 -1.725 8.282 -1.419 1.00 0.00 C ATOM 763 O ARG A 60 -2.199 7.187 -1.719 1.00 0.00 O ATOM 764 CB ARG A 60 -1.419 9.863 -3.342 1.00 0.00 C ATOM 765 CG ARG A 60 -2.258 10.393 -4.494 1.00 0.00 C ATOM 766 CD ARG A 60 -1.424 11.218 -5.458 1.00 0.00 C ATOM 767 NE ARG A 60 -1.106 12.537 -4.918 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.716 13.570 -5.664 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.595 13.439 -6.979 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.448 14.736 -5.094 1.00 0.00 N ATOM 0 H ARG A 60 -1.262 10.862 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.279 9.402 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.648 10.593 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.908 8.955 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.713 9.559 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.072 11.003 -4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.500 10.686 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.964 11.332 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.187 12.676 -3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.801 12.544 -7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.296 14.233 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.540 14.843 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.149 15.526 -5.665 1.00 0.00 H new ATOM 784 N LEU A 61 -0.755 8.425 -0.521 1.00 0.00 N ATOM 785 CA LEU A 61 -0.188 7.276 0.175 1.00 0.00 C ATOM 786 C LEU A 61 -1.172 6.713 1.195 1.00 0.00 C ATOM 787 O LEU A 61 -1.996 7.442 1.748 1.00 0.00 O ATOM 788 CB LEU A 61 1.118 7.668 0.870 1.00 0.00 C ATOM 789 CG LEU A 61 2.292 7.931 -0.069 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.327 9.394 -0.484 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.605 7.523 0.585 1.00 0.00 C ATOM 0 H LEU A 61 -0.347 9.322 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 61 0.019 6.503 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.941 8.563 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.397 6.874 1.563 1.00 0.00 H new ATOM 0 HG LEU A 61 2.157 7.326 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.171 9.562 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.400 9.649 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.435 10.021 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.429 7.719 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.750 8.098 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.577 6.460 0.825 1.00 0.00 H new ATOM 803 N ARG A 62 -1.085 5.408 1.435 1.00 0.00 N ATOM 804 CA ARG A 62 -1.972 4.744 2.385 1.00 0.00 C ATOM 805 C ARG A 62 -1.268 3.573 3.068 1.00 0.00 C ATOM 806 O ARG A 62 -0.588 2.780 2.417 1.00 0.00 O ATOM 807 CB ARG A 62 -3.229 4.246 1.674 1.00 0.00 C ATOM 808 CG ARG A 62 -4.345 5.277 1.610 1.00 0.00 C ATOM 809 CD ARG A 62 -4.383 5.982 0.262 1.00 0.00 C ATOM 810 NE ARG A 62 -4.390 5.038 -0.854 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.484 5.402 -2.131 1.00 0.00 C ATOM 812 NH1 ARG A 62 -4.610 6.682 -2.458 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.458 4.480 -3.083 1.00 0.00 N ATOM 0 H ARG A 62 -0.410 4.790 0.985 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.252 5.471 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.967 3.944 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.597 3.357 2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.302 4.789 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.206 6.013 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.271 6.612 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.519 6.640 0.174 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.319 4.043 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.635 7.395 -1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.681 6.953 -3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.366 3.495 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.530 4.756 -4.062 1.00 0.00 H new ATOM 827 N VAL A 63 -1.442 3.470 4.382 1.00 0.00 N ATOM 828 CA VAL A 63 -0.831 2.396 5.157 1.00 0.00 C ATOM 829 C VAL A 63 -1.398 1.042 4.747 1.00 0.00 C ATOM 830 O VAL A 63 -2.435 0.618 5.253 1.00 0.00 O ATOM 831 CB VAL A 63 -1.048 2.606 6.669 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.430 1.472 7.472 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.476 3.948 7.102 1.00 0.00 C ATOM 0 H VAL A 63 -2.003 4.119 4.933 1.00 0.00 H new ATOM 0 HA VAL A 63 0.239 2.414 4.950 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.120 2.606 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.598 1.645 8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.890 0.528 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.641 1.429 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.636 4.084 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.593 3.974 6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.974 4.749 6.556 1.00 0.00 H new ATOM 843 N ASN A 64 -0.690 0.376 3.831 1.00 0.00 N ATOM 844 CA ASN A 64 -1.073 -0.944 3.311 1.00 0.00 C ATOM 845 C ASN A 64 -0.601 -1.120 1.866 1.00 0.00 C ATOM 846 O ASN A 64 -0.775 -2.189 1.278 1.00 0.00 O ATOM 847 CB ASN A 64 -2.588 -1.166 3.359 1.00 0.00 C ATOM 848 CG ASN A 64 -3.343 -0.122 2.564 1.00 0.00 C ATOM 849 OD1 ASN A 64 -3.414 -0.191 1.336 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.911 0.850 3.259 1.00 0.00 N ATOM 0 H ASN A 64 0.172 0.739 3.425 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.590 -1.679 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.821 -2.157 2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.924 -1.145 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.434 1.582 2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.826 0.867 4.275 1.00 0.00 H new ATOM 857 N ASP A 65 -0.022 -0.066 1.282 1.00 0.00 N ATOM 858 CA ASP A 65 0.443 -0.123 -0.098 1.00 0.00 C ATOM 859 C ASP A 65 1.838 -0.727 -0.195 1.00 0.00 C ATOM 860 O ASP A 65 2.752 -0.336 0.531 1.00 0.00 O ATOM 861 CB ASP A 65 0.440 1.276 -0.714 1.00 0.00 C ATOM 862 CG ASP A 65 -0.919 1.941 -0.632 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.930 1.263 -0.915 1.00 0.00 O ATOM 864 OD2 ASP A 65 -0.975 3.140 -0.286 1.00 0.00 O ATOM 0 H ASP A 65 0.133 0.830 1.744 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.242 -0.765 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.176 1.896 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.747 1.211 -1.758 1.00 0.00 H new ATOM 869 N GLN A 66 1.995 -1.678 -1.111 1.00 0.00 N ATOM 870 CA GLN A 66 3.276 -2.336 -1.327 1.00 0.00 C ATOM 871 C GLN A 66 4.084 -1.579 -2.375 1.00 0.00 C ATOM 872 O GLN A 66 3.670 -1.466 -3.528 1.00 0.00 O ATOM 873 CB GLN A 66 3.053 -3.786 -1.765 1.00 0.00 C ATOM 874 CG GLN A 66 4.316 -4.496 -2.237 1.00 0.00 C ATOM 875 CD GLN A 66 4.736 -5.617 -1.311 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.350 -6.772 -1.500 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.529 -5.282 -0.302 1.00 0.00 N ATOM 0 H GLN A 66 1.246 -2.010 -1.718 1.00 0.00 H new ATOM 0 HA GLN A 66 3.837 -2.338 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.626 -4.344 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.318 -3.802 -2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.150 -4.899 -3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.127 -3.772 -2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.823 -4.312 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.844 -5.994 0.357 1.00 0.00 H new ATOM 886 N LEU A 67 5.234 -1.055 -1.967 1.00 0.00 N ATOM 887 CA LEU A 67 6.092 -0.300 -2.871 1.00 0.00 C ATOM 888 C LEU A 67 6.771 -1.213 -3.886 1.00 0.00 C ATOM 889 O LEU A 67 7.308 -2.262 -3.533 1.00 0.00 O ATOM 890 CB LEU A 67 7.145 0.473 -2.079 1.00 0.00 C ATOM 891 CG LEU A 67 6.608 1.231 -0.866 1.00 0.00 C ATOM 892 CD1 LEU A 67 7.696 1.402 0.182 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.051 2.581 -1.289 1.00 0.00 C ATOM 0 H LEU A 67 5.593 -1.139 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 67 5.463 0.404 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.911 -0.226 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.632 1.183 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 67 5.799 0.649 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.294 1.944 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.047 0.422 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.528 1.963 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.672 3.109 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.841 3.171 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.240 2.433 -2.002 1.00 0.00 H new ATOM 905 N ILE A 68 6.739 -0.801 -5.149 1.00 0.00 N ATOM 906 CA ILE A 68 7.351 -1.576 -6.221 1.00 0.00 C ATOM 907 C ILE A 68 8.406 -0.762 -6.968 1.00 0.00 C ATOM 908 O ILE A 68 9.302 -1.327 -7.596 1.00 0.00 O ATOM 909 CB ILE A 68 6.297 -2.071 -7.230 1.00 0.00 C ATOM 910 CG1 ILE A 68 5.120 -2.717 -6.497 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.921 -3.052 -8.214 1.00 0.00 C ATOM 912 CD1 ILE A 68 4.041 -3.235 -7.423 1.00 0.00 C ATOM 0 H ILE A 68 6.296 0.065 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 68 7.829 -2.435 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 68 5.924 -1.214 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.490 -3.541 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.683 -1.988 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.163 -3.392 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.727 -2.559 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.320 -3.908 -7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.239 -3.680 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.643 -2.411 -8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.463 -3.988 -8.088 1.00 0.00 H new ATOM 924 N ALA A 69 8.302 0.564 -6.901 1.00 0.00 N ATOM 925 CA ALA A 69 9.255 1.432 -7.578 1.00 0.00 C ATOM 926 C ALA A 69 9.325 2.805 -6.919 1.00 0.00 C ATOM 927 O ALA A 69 8.479 3.156 -6.096 1.00 0.00 O ATOM 928 CB ALA A 69 8.889 1.573 -9.048 1.00 0.00 C ATOM 0 H ALA A 69 7.571 1.056 -6.387 1.00 0.00 H new ATOM 0 HA ALA A 69 10.240 0.972 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.610 2.225 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.903 0.592 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.892 2.004 -9.135 1.00 0.00 H new ATOM 934 N VAL A 70 10.341 3.575 -7.289 1.00 0.00 N ATOM 935 CA VAL A 70 10.533 4.911 -6.741 1.00 0.00 C ATOM 936 C VAL A 70 11.394 5.758 -7.674 1.00 0.00 C ATOM 937 O VAL A 70 12.487 5.352 -8.058 1.00 0.00 O ATOM 938 CB VAL A 70 11.186 4.852 -5.342 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.618 4.346 -5.433 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.132 6.213 -4.667 1.00 0.00 C ATOM 0 H VAL A 70 11.047 3.295 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 70 9.550 5.371 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 70 10.620 4.148 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.056 4.313 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.624 3.345 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.201 5.017 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.597 6.150 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.667 6.942 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.093 6.524 -4.558 1.00 0.00 H new ATOM 950 N ASN A 71 10.888 6.931 -8.045 1.00 0.00 N ATOM 951 CA ASN A 71 11.605 7.834 -8.943 1.00 0.00 C ATOM 952 C ASN A 71 11.741 7.227 -10.340 1.00 0.00 C ATOM 953 O ASN A 71 12.540 7.694 -11.151 1.00 0.00 O ATOM 954 CB ASN A 71 12.994 8.166 -8.391 1.00 0.00 C ATOM 955 CG ASN A 71 12.946 9.188 -7.276 1.00 0.00 C ATOM 956 OD1 ASN A 71 13.512 10.276 -7.388 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.268 8.843 -6.190 1.00 0.00 N ATOM 0 H ASN A 71 9.981 7.280 -7.737 1.00 0.00 H new ATOM 0 HA ASN A 71 11.023 8.753 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.463 7.253 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.622 8.543 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.200 9.490 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.814 7.931 -6.140 1.00 0.00 H new ATOM 964 N GLY A 72 10.955 6.189 -10.614 1.00 0.00 N ATOM 965 CA GLY A 72 11.008 5.547 -11.915 1.00 0.00 C ATOM 966 C GLY A 72 11.901 4.318 -11.938 1.00 0.00 C ATOM 967 O GLY A 72 12.151 3.748 -13.001 1.00 0.00 O ATOM 0 H GLY A 72 10.285 5.783 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.999 5.261 -12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.368 6.264 -12.653 1.00 0.00 H new ATOM 971 N GLU A 73 12.383 3.902 -10.768 1.00 0.00 N ATOM 972 CA GLU A 73 13.247 2.729 -10.673 1.00 0.00 C ATOM 973 C GLU A 73 12.637 1.674 -9.758 1.00 0.00 C ATOM 974 O GLU A 73 12.577 1.851 -8.542 1.00 0.00 O ATOM 975 CB GLU A 73 14.640 3.119 -10.168 1.00 0.00 C ATOM 976 CG GLU A 73 14.647 4.318 -9.234 1.00 0.00 C ATOM 977 CD GLU A 73 16.042 4.860 -8.990 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.760 5.119 -9.980 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.417 5.024 -7.811 1.00 0.00 O ATOM 0 H GLU A 73 12.190 4.358 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 73 13.343 2.306 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.079 2.266 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.278 3.335 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.024 5.106 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.200 4.034 -8.281 1.00 0.00 H new ATOM 986 N SER A 74 12.183 0.575 -10.355 1.00 0.00 N ATOM 987 CA SER A 74 11.575 -0.513 -9.598 1.00 0.00 C ATOM 988 C SER A 74 12.552 -1.080 -8.575 1.00 0.00 C ATOM 989 O SER A 74 13.759 -1.127 -8.814 1.00 0.00 O ATOM 990 CB SER A 74 11.110 -1.622 -10.543 1.00 0.00 C ATOM 991 OG SER A 74 10.580 -1.082 -11.742 1.00 0.00 O ATOM 0 H SER A 74 12.225 0.415 -11.362 1.00 0.00 H new ATOM 0 HA SER A 74 10.713 -0.112 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.947 -2.280 -10.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.353 -2.231 -10.049 1.00 0.00 H new ATOM 0 HG SER A 74 10.292 -1.811 -12.330 1.00 0.00 H new ATOM 997 N LEU A 75 12.024 -1.508 -7.432 1.00 0.00 N ATOM 998 CA LEU A 75 12.853 -2.073 -6.371 1.00 0.00 C ATOM 999 C LEU A 75 12.425 -3.503 -6.035 1.00 0.00 C ATOM 1000 O LEU A 75 12.956 -4.113 -5.106 1.00 0.00 O ATOM 1001 CB LEU A 75 12.793 -1.203 -5.111 1.00 0.00 C ATOM 1002 CG LEU A 75 11.644 -0.196 -5.063 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.343 -0.890 -4.691 1.00 0.00 C ATOM 1004 CD2 LEU A 75 11.954 0.922 -4.080 1.00 0.00 C ATOM 0 H LEU A 75 11.028 -1.475 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 75 13.880 -2.096 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.717 -1.857 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.734 -0.660 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 75 11.529 0.242 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.536 -0.158 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.113 -1.654 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.446 -1.356 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.125 1.629 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.097 0.502 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.863 1.438 -4.390 1.00 0.00 H new ATOM 1016 N LEU A 76 11.465 -4.035 -6.788 1.00 0.00 N ATOM 1017 CA LEU A 76 10.978 -5.391 -6.559 1.00 0.00 C ATOM 1018 C LEU A 76 12.097 -6.412 -6.738 1.00 0.00 C ATOM 1019 O LEU A 76 12.079 -7.479 -6.125 1.00 0.00 O ATOM 1020 CB LEU A 76 9.823 -5.706 -7.510 1.00 0.00 C ATOM 1021 CG LEU A 76 8.664 -6.487 -6.885 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.009 -5.676 -5.778 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.643 -6.863 -7.947 1.00 0.00 C ATOM 0 H LEU A 76 11.010 -3.548 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 76 10.620 -5.453 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.436 -4.769 -7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.212 -6.276 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 76 9.061 -7.404 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.188 -6.247 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.745 -5.456 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.625 -4.743 -6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.826 -7.418 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.251 -5.958 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.119 -7.483 -8.706 1.00 0.00 H new ATOM 1035 N GLY A 77 13.068 -6.078 -7.583 1.00 0.00 N ATOM 1036 CA GLY A 77 14.180 -6.980 -7.826 1.00 0.00 C ATOM 1037 C GLY A 77 15.167 -7.010 -6.675 1.00 0.00 C ATOM 1038 O GLY A 77 15.882 -7.996 -6.489 1.00 0.00 O ATOM 0 H GLY A 77 13.105 -5.201 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.797 -7.986 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.697 -6.676 -8.736 1.00 0.00 H new ATOM 1042 N LYS A 78 15.208 -5.930 -5.901 1.00 0.00 N ATOM 1043 CA LYS A 78 16.115 -5.840 -4.763 1.00 0.00 C ATOM 1044 C LYS A 78 15.408 -6.198 -3.467 1.00 0.00 C ATOM 1045 O LYS A 78 14.181 -6.279 -3.410 1.00 0.00 O ATOM 1046 CB LYS A 78 16.714 -4.435 -4.664 1.00 0.00 C ATOM 1047 CG LYS A 78 15.677 -3.328 -4.572 1.00 0.00 C ATOM 1048 CD LYS A 78 16.329 -1.956 -4.535 1.00 0.00 C ATOM 1049 CE LYS A 78 16.975 -1.612 -5.867 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.291 -0.938 -5.691 1.00 0.00 N ATOM 0 H LYS A 78 14.624 -5.106 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 78 16.920 -6.558 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.361 -4.387 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.344 -4.257 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.002 -3.388 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.072 -3.469 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.581 -1.203 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.081 -1.930 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.109 -2.523 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.309 -0.964 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.689 -0.705 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.163 -0.064 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.941 -1.573 -5.185 1.00 0.00 H new ATOM 1064 N ALA A 79 16.203 -6.422 -2.434 1.00 0.00 N ATOM 1065 CA ALA A 79 15.685 -6.786 -1.127 1.00 0.00 C ATOM 1066 C ALA A 79 14.907 -5.637 -0.497 1.00 0.00 C ATOM 1067 O ALA A 79 14.995 -4.495 -0.946 1.00 0.00 O ATOM 1068 CB ALA A 79 16.835 -7.213 -0.234 1.00 0.00 C ATOM 0 H ALA A 79 17.220 -6.357 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 79 14.990 -7.618 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.450 -7.487 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.341 -8.070 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.541 -6.389 -0.130 1.00 0.00 H new ATOM 1074 N ASN A 80 14.139 -5.950 0.546 1.00 0.00 N ATOM 1075 CA ASN A 80 13.339 -4.941 1.234 1.00 0.00 C ATOM 1076 C ASN A 80 14.201 -3.773 1.696 1.00 0.00 C ATOM 1077 O ASN A 80 13.955 -2.625 1.330 1.00 0.00 O ATOM 1078 CB ASN A 80 12.630 -5.553 2.441 1.00 0.00 C ATOM 1079 CG ASN A 80 11.967 -6.879 2.125 1.00 0.00 C ATOM 1080 OD1 ASN A 80 10.982 -6.934 1.389 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.510 -7.955 2.680 1.00 0.00 N ATOM 0 H ASN A 80 14.055 -6.891 0.931 1.00 0.00 H new ATOM 0 HA ASN A 80 12.599 -4.571 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.351 -5.696 3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.878 -4.854 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.111 -8.877 2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.327 -7.860 3.284 1.00 0.00 H new ATOM 1088 N GLN A 81 15.212 -4.074 2.506 1.00 0.00 N ATOM 1089 CA GLN A 81 16.109 -3.046 3.020 1.00 0.00 C ATOM 1090 C GLN A 81 16.754 -2.269 1.878 1.00 0.00 C ATOM 1091 O GLN A 81 16.989 -1.065 1.985 1.00 0.00 O ATOM 1092 CB GLN A 81 17.188 -3.669 3.908 1.00 0.00 C ATOM 1093 CG GLN A 81 17.841 -4.899 3.305 1.00 0.00 C ATOM 1094 CD GLN A 81 19.089 -4.570 2.512 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.977 -3.863 2.992 1.00 0.00 O ATOM 1096 NE2 GLN A 81 19.162 -5.081 1.290 1.00 0.00 N ATOM 0 H GLN A 81 15.430 -5.020 2.820 1.00 0.00 H new ATOM 0 HA GLN A 81 15.519 -2.353 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.956 -2.922 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.746 -3.937 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.096 -5.597 4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 81 17.126 -5.404 2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.403 -5.661 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.978 -4.894 0.707 1.00 0.00 H new ATOM 1105 N GLU A 82 17.023 -2.964 0.780 1.00 0.00 N ATOM 1106 CA GLU A 82 17.623 -2.343 -0.390 1.00 0.00 C ATOM 1107 C GLU A 82 16.612 -1.427 -1.056 1.00 0.00 C ATOM 1108 O GLU A 82 16.947 -0.342 -1.530 1.00 0.00 O ATOM 1109 CB GLU A 82 18.106 -3.407 -1.376 1.00 0.00 C ATOM 1110 CG GLU A 82 19.612 -3.616 -1.355 1.00 0.00 C ATOM 1111 CD GLU A 82 20.295 -3.075 -2.596 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.247 -1.845 -2.811 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.878 -3.879 -3.351 1.00 0.00 O ATOM 0 H GLU A 82 16.834 -3.961 0.677 1.00 0.00 H new ATOM 0 HA GLU A 82 18.485 -1.756 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.613 -4.352 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.801 -3.123 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.030 -3.129 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.826 -4.681 -1.263 1.00 0.00 H new ATOM 1120 N ALA A 83 15.363 -1.877 -1.076 1.00 0.00 N ATOM 1121 CA ALA A 83 14.288 -1.107 -1.669 1.00 0.00 C ATOM 1122 C ALA A 83 13.995 0.129 -0.830 1.00 0.00 C ATOM 1123 O ALA A 83 13.772 1.216 -1.361 1.00 0.00 O ATOM 1124 CB ALA A 83 13.042 -1.963 -1.820 1.00 0.00 C ATOM 0 H ALA A 83 15.074 -2.774 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 83 14.600 -0.781 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.245 -1.369 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.262 -2.816 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.724 -2.319 -0.840 1.00 0.00 H new ATOM 1130 N MET A 84 14.015 -0.046 0.487 1.00 0.00 N ATOM 1131 CA MET A 84 13.770 1.057 1.405 1.00 0.00 C ATOM 1132 C MET A 84 14.896 2.076 1.301 1.00 0.00 C ATOM 1133 O MET A 84 14.688 3.269 1.505 1.00 0.00 O ATOM 1134 CB MET A 84 13.646 0.547 2.841 1.00 0.00 C ATOM 1135 CG MET A 84 12.219 0.574 3.366 1.00 0.00 C ATOM 1136 SD MET A 84 11.967 -0.522 4.775 1.00 0.00 S ATOM 1137 CE MET A 84 12.797 -2.000 4.208 1.00 0.00 C ATOM 0 H MET A 84 14.198 -0.941 0.941 1.00 0.00 H new ATOM 0 HA MET A 84 12.830 1.536 1.132 1.00 0.00 H new ATOM 0 HB2 MET A 84 14.025 -0.474 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 84 14.277 1.154 3.491 1.00 0.00 H new ATOM 0 HG2 MET A 84 11.963 1.593 3.655 1.00 0.00 H new ATOM 0 HG3 MET A 84 11.537 0.289 2.565 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.193 -2.873 4.453 1.00 0.00 H new ATOM 0 HE2 MET A 84 12.937 -1.947 3.128 1.00 0.00 H new ATOM 0 HE3 MET A 84 13.768 -2.082 4.697 1.00 0.00 H new ATOM 1147 N GLU A 85 16.087 1.594 0.962 1.00 0.00 N ATOM 1148 CA GLU A 85 17.247 2.456 0.802 1.00 0.00 C ATOM 1149 C GLU A 85 17.189 3.130 -0.562 1.00 0.00 C ATOM 1150 O GLU A 85 17.578 4.287 -0.719 1.00 0.00 O ATOM 1151 CB GLU A 85 18.537 1.638 0.940 1.00 0.00 C ATOM 1152 CG GLU A 85 19.792 2.370 0.487 1.00 0.00 C ATOM 1153 CD GLU A 85 20.300 3.354 1.521 1.00 0.00 C ATOM 1154 OE1 GLU A 85 19.704 4.445 1.647 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.295 3.035 2.206 1.00 0.00 O ATOM 0 H GLU A 85 16.272 0.605 0.793 1.00 0.00 H new ATOM 0 HA GLU A 85 17.241 3.220 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.658 1.344 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.436 0.721 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.574 1.642 0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.583 2.901 -0.442 1.00 0.00 H new ATOM 1162 N THR A 86 16.692 2.387 -1.545 1.00 0.00 N ATOM 1163 CA THR A 86 16.564 2.892 -2.902 1.00 0.00 C ATOM 1164 C THR A 86 15.556 4.037 -2.950 1.00 0.00 C ATOM 1165 O THR A 86 15.741 5.009 -3.682 1.00 0.00 O ATOM 1166 CB THR A 86 16.137 1.754 -3.839 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.243 0.925 -4.151 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.535 2.221 -5.147 1.00 0.00 C ATOM 0 H THR A 86 16.370 1.427 -1.423 1.00 0.00 H new ATOM 0 HA THR A 86 17.529 3.276 -3.233 1.00 0.00 H new ATOM 0 HB THR A 86 15.368 1.213 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.403 0.301 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.260 1.356 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.647 2.820 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.264 2.824 -5.688 1.00 0.00 H new ATOM 1176 N LEU A 87 14.502 3.926 -2.145 1.00 0.00 N ATOM 1177 CA LEU A 87 13.485 4.965 -2.083 1.00 0.00 C ATOM 1178 C LEU A 87 13.986 6.110 -1.220 1.00 0.00 C ATOM 1179 O LEU A 87 13.702 7.280 -1.480 1.00 0.00 O ATOM 1180 CB LEU A 87 12.165 4.410 -1.533 1.00 0.00 C ATOM 1181 CG LEU A 87 12.238 3.791 -0.136 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.260 4.875 0.932 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.062 2.849 0.082 1.00 0.00 C ATOM 0 H LEU A 87 14.333 3.130 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 87 13.293 5.332 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.432 5.217 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.792 3.656 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 87 13.163 3.219 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.312 4.413 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.131 5.514 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.353 5.475 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.124 2.414 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.129 3.404 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.090 2.054 -0.663 1.00 0.00 H new ATOM 1195 N ARG A 88 14.749 5.748 -0.196 1.00 0.00 N ATOM 1196 CA ARG A 88 15.326 6.713 0.724 1.00 0.00 C ATOM 1197 C ARG A 88 16.280 7.649 -0.009 1.00 0.00 C ATOM 1198 O ARG A 88 16.184 8.871 0.106 1.00 0.00 O ATOM 1199 CB ARG A 88 16.072 5.970 1.830 1.00 0.00 C ATOM 1200 CG ARG A 88 15.497 6.203 3.216 1.00 0.00 C ATOM 1201 CD ARG A 88 16.196 5.349 4.263 1.00 0.00 C ATOM 1202 NE ARG A 88 16.677 6.147 5.388 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.572 5.716 6.274 1.00 0.00 C ATOM 1204 NH1 ARG A 88 18.085 4.497 6.170 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.956 6.506 7.267 1.00 0.00 N ATOM 0 H ARG A 88 14.983 4.779 0.018 1.00 0.00 H new ATOM 0 HA ARG A 88 14.526 7.312 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.055 4.902 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.117 6.280 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.596 7.256 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.431 5.974 3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.508 4.587 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.035 4.827 3.804 1.00 0.00 H new ATOM 0 HE ARG A 88 16.305 7.090 5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.794 3.885 5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.770 4.172 6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.566 7.444 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.642 6.175 7.946 1.00 0.00 H new ATOM 1219 N ARG A 89 17.199 7.062 -0.767 1.00 0.00 N ATOM 1220 CA ARG A 89 18.167 7.837 -1.527 1.00 0.00 C ATOM 1221 C ARG A 89 17.486 8.518 -2.709 1.00 0.00 C ATOM 1222 O ARG A 89 17.810 9.649 -3.063 1.00 0.00 O ATOM 1223 CB ARG A 89 19.320 6.923 -1.988 1.00 0.00 C ATOM 1224 CG ARG A 89 19.360 6.632 -3.484 1.00 0.00 C ATOM 1225 CD ARG A 89 18.440 5.477 -3.846 1.00 0.00 C ATOM 1226 NE ARG A 89 19.154 4.399 -4.526 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.546 4.456 -5.796 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.292 5.532 -6.531 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.194 3.431 -6.336 1.00 0.00 N ATOM 0 H ARG A 89 17.292 6.052 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 89 18.586 8.618 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.265 7.383 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.249 5.977 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.064 7.523 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.381 6.394 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.974 5.088 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.637 5.841 -4.487 1.00 0.00 H new ATOM 0 HE ARG A 89 19.364 3.553 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.793 6.322 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.596 5.568 -7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.391 2.601 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.495 3.474 -7.310 1.00 0.00 H new ATOM 1243 N SER A 90 16.536 7.817 -3.315 1.00 0.00 N ATOM 1244 CA SER A 90 15.805 8.348 -4.455 1.00 0.00 C ATOM 1245 C SER A 90 14.929 9.527 -4.044 1.00 0.00 C ATOM 1246 O SER A 90 14.665 10.422 -4.846 1.00 0.00 O ATOM 1247 CB SER A 90 14.945 7.251 -5.087 1.00 0.00 C ATOM 1248 OG SER A 90 15.746 6.317 -5.790 1.00 0.00 O ATOM 0 H SER A 90 16.254 6.878 -3.034 1.00 0.00 H new ATOM 0 HA SER A 90 16.530 8.701 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.378 6.737 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.221 7.699 -5.768 1.00 0.00 H new ATOM 0 HG SER A 90 15.732 5.456 -5.322 1.00 0.00 H new ATOM 1254 N MET A 91 14.475 9.520 -2.794 1.00 0.00 N ATOM 1255 CA MET A 91 13.621 10.589 -2.285 1.00 0.00 C ATOM 1256 C MET A 91 14.442 11.726 -1.682 1.00 0.00 C ATOM 1257 O MET A 91 14.018 12.881 -1.694 1.00 0.00 O ATOM 1258 CB MET A 91 12.646 10.039 -1.244 1.00 0.00 C ATOM 1259 CG MET A 91 13.290 9.679 0.086 1.00 0.00 C ATOM 1260 SD MET A 91 12.094 9.069 1.289 1.00 0.00 S ATOM 1261 CE MET A 91 10.931 8.231 0.217 1.00 0.00 C ATOM 0 H MET A 91 14.684 8.787 -2.116 1.00 0.00 H new ATOM 0 HA MET A 91 13.059 10.991 -3.128 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.865 10.779 -1.068 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.160 9.152 -1.651 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.055 8.920 -0.078 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.793 10.557 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 91 10.129 7.800 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.510 8.944 -0.492 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.444 7.438 -0.327 1.00 0.00 H new ATOM 1271 N SER A 92 15.606 11.390 -1.138 1.00 0.00 N ATOM 1272 CA SER A 92 16.469 12.386 -0.511 1.00 0.00 C ATOM 1273 C SER A 92 17.688 12.714 -1.372 1.00 0.00 C ATOM 1274 O SER A 92 18.709 13.170 -0.856 1.00 0.00 O ATOM 1275 CB SER A 92 16.927 11.888 0.863 1.00 0.00 C ATOM 1276 OG SER A 92 16.640 12.841 1.872 1.00 0.00 O ATOM 0 H SER A 92 15.974 10.439 -1.118 1.00 0.00 H new ATOM 0 HA SER A 92 15.886 13.300 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.430 10.946 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.998 11.687 0.842 1.00 0.00 H new ATOM 0 HG SER A 92 16.940 12.499 2.740 1.00 0.00 H new ATOM 1282 N THR A 93 17.588 12.483 -2.676 1.00 0.00 N ATOM 1283 CA THR A 93 18.705 12.764 -3.573 1.00 0.00 C ATOM 1284 C THR A 93 18.244 13.023 -5.009 1.00 0.00 C ATOM 1285 O THR A 93 18.884 13.773 -5.743 1.00 0.00 O ATOM 1286 CB THR A 93 19.713 11.608 -3.524 1.00 0.00 C ATOM 1287 OG1 THR A 93 21.019 12.095 -3.275 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.770 10.771 -4.787 1.00 0.00 C ATOM 0 H THR A 93 16.757 12.107 -3.132 1.00 0.00 H new ATOM 0 HA THR A 93 19.187 13.679 -3.229 1.00 0.00 H new ATOM 0 HB THR A 93 19.358 10.969 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.648 11.344 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.508 9.978 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.791 10.330 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.052 11.402 -5.629 1.00 0.00 H new ATOM 1296 N GLU A 94 17.149 12.387 -5.412 1.00 0.00 N ATOM 1297 CA GLU A 94 16.633 12.552 -6.766 1.00 0.00 C ATOM 1298 C GLU A 94 15.278 13.252 -6.767 1.00 0.00 C ATOM 1299 O GLU A 94 15.136 14.351 -7.298 1.00 0.00 O ATOM 1300 CB GLU A 94 16.525 11.194 -7.455 1.00 0.00 C ATOM 1301 CG GLU A 94 17.773 10.342 -7.300 1.00 0.00 C ATOM 1302 CD GLU A 94 18.012 9.436 -8.492 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.073 8.716 -8.889 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.142 9.445 -9.027 1.00 0.00 O ATOM 0 H GLU A 94 16.604 11.756 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 94 17.333 13.181 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.671 10.654 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.327 11.347 -8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.637 10.992 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.685 9.735 -6.399 1.00 0.00 H new ATOM 1311 N GLY A 95 14.286 12.606 -6.175 1.00 0.00 N ATOM 1312 CA GLY A 95 12.954 13.180 -6.121 1.00 0.00 C ATOM 1313 C GLY A 95 12.934 14.533 -5.438 1.00 0.00 C ATOM 1314 O GLY A 95 12.128 15.399 -5.778 1.00 0.00 O ATOM 0 H GLY A 95 14.377 11.693 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.564 13.282 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.289 12.499 -5.590 1.00 0.00 H new ATOM 1318 N ASN A 96 13.826 14.714 -4.473 1.00 0.00 N ATOM 1319 CA ASN A 96 13.913 15.969 -3.739 1.00 0.00 C ATOM 1320 C ASN A 96 14.526 17.063 -4.614 1.00 0.00 C ATOM 1321 O ASN A 96 14.163 18.234 -4.503 1.00 0.00 O ATOM 1322 CB ASN A 96 14.728 15.765 -2.452 1.00 0.00 C ATOM 1323 CG ASN A 96 15.417 17.026 -1.964 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.569 16.992 -1.532 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.711 18.147 -2.032 1.00 0.00 N ATOM 0 H ASN A 96 14.500 14.007 -4.180 1.00 0.00 H new ATOM 0 HA ASN A 96 12.909 16.291 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.067 15.395 -1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.479 14.994 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 96 15.120 19.027 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.759 18.129 -2.397 1.00 0.00 H new ATOM 1332 N LYS A 97 15.454 16.672 -5.487 1.00 0.00 N ATOM 1333 CA LYS A 97 16.116 17.619 -6.384 1.00 0.00 C ATOM 1334 C LYS A 97 15.117 18.596 -6.994 1.00 0.00 C ATOM 1335 O LYS A 97 15.394 19.789 -7.124 1.00 0.00 O ATOM 1336 CB LYS A 97 16.856 16.874 -7.480 1.00 0.00 C ATOM 1337 CG LYS A 97 18.124 16.228 -6.972 1.00 0.00 C ATOM 1338 CD LYS A 97 18.787 15.402 -8.046 1.00 0.00 C ATOM 1339 CE LYS A 97 19.293 16.275 -9.179 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.296 15.566 -10.024 1.00 0.00 N ATOM 0 H LYS A 97 15.764 15.706 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 97 16.832 18.193 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.204 16.109 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.100 17.565 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.813 16.998 -6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.894 15.596 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.618 14.842 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.078 14.671 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.453 16.588 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.740 17.180 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.616 16.197 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.110 15.290 -9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.863 14.716 -10.438 1.00 0.00 H new ATOM 1354 N ARG A 98 13.943 18.082 -7.345 1.00 0.00 N ATOM 1355 CA ARG A 98 12.886 18.906 -7.919 1.00 0.00 C ATOM 1356 C ARG A 98 11.911 19.335 -6.829 1.00 0.00 C ATOM 1357 O ARG A 98 11.249 20.366 -6.940 1.00 0.00 O ATOM 1358 CB ARG A 98 12.125 18.153 -9.024 1.00 0.00 C ATOM 1359 CG ARG A 98 12.751 16.827 -9.432 1.00 0.00 C ATOM 1360 CD ARG A 98 12.259 15.683 -8.560 1.00 0.00 C ATOM 1361 NE ARG A 98 11.980 14.481 -9.342 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.913 13.793 -9.999 1.00 0.00 C ATOM 1363 NH1 ARG A 98 14.181 14.180 -9.965 1.00 0.00 N ATOM 1364 NH2 ARG A 98 12.575 12.713 -10.690 1.00 0.00 N ATOM 0 H ARG A 98 13.699 17.097 -7.242 1.00 0.00 H new ATOM 0 HA ARG A 98 13.352 19.786 -8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.105 17.970 -8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.058 18.794 -9.903 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.514 16.618 -10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.836 16.899 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.009 15.457 -7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.356 15.991 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 98 11.016 14.150 -9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.447 15.009 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.890 13.649 -10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.602 12.410 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.288 12.186 -11.193 1.00 0.00 H new ATOM 1378 N GLY A 99 11.830 18.527 -5.774 1.00 0.00 N ATOM 1379 CA GLY A 99 10.937 18.825 -4.674 1.00 0.00 C ATOM 1380 C GLY A 99 9.863 17.769 -4.492 1.00 0.00 C ATOM 1381 O GLY A 99 9.001 17.902 -3.626 1.00 0.00 O ATOM 0 H GLY A 99 12.370 17.669 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.516 18.912 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.465 19.792 -4.846 1.00 0.00 H new ATOM 1385 N MET A 100 9.910 16.719 -5.315 1.00 0.00 N ATOM 1386 CA MET A 100 8.929 15.647 -5.239 1.00 0.00 C ATOM 1387 C MET A 100 9.464 14.362 -5.862 1.00 0.00 C ATOM 1388 O MET A 100 10.158 14.391 -6.879 1.00 0.00 O ATOM 1389 CB MET A 100 7.649 16.066 -5.958 1.00 0.00 C ATOM 1390 CG MET A 100 7.840 16.256 -7.453 1.00 0.00 C ATOM 1391 SD MET A 100 6.701 15.271 -8.439 1.00 0.00 S ATOM 1392 CE MET A 100 7.525 13.682 -8.402 1.00 0.00 C ATOM 0 H MET A 100 10.618 16.593 -6.039 1.00 0.00 H new ATOM 0 HA MET A 100 8.718 15.457 -4.187 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.881 15.311 -5.789 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.283 16.996 -5.523 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.708 17.309 -7.699 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.864 15.993 -7.719 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.068 13.018 -9.135 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.580 13.814 -8.640 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.429 13.246 -7.408 1.00 0.00 H new ATOM 1402 N ILE A 101 9.133 13.235 -5.245 1.00 0.00 N ATOM 1403 CA ILE A 101 9.574 11.937 -5.733 1.00 0.00 C ATOM 1404 C ILE A 101 8.390 11.112 -6.241 1.00 0.00 C ATOM 1405 O ILE A 101 7.286 11.197 -5.704 1.00 0.00 O ATOM 1406 CB ILE A 101 10.340 11.154 -4.634 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.714 9.781 -4.372 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.403 11.955 -3.344 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.447 8.978 -3.327 1.00 0.00 C ATOM 0 H ILE A 101 8.559 13.195 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 101 10.256 12.115 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 101 11.354 10.995 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.679 9.916 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.692 9.216 -5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.945 11.386 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.918 12.898 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.392 12.156 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.950 8.017 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.475 8.812 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.447 9.523 -2.383 1.00 0.00 H new ATOM 1421 N GLN A 102 8.636 10.312 -7.272 1.00 0.00 N ATOM 1422 CA GLN A 102 7.601 9.464 -7.847 1.00 0.00 C ATOM 1423 C GLN A 102 7.539 8.134 -7.099 1.00 0.00 C ATOM 1424 O GLN A 102 8.573 7.566 -6.751 1.00 0.00 O ATOM 1425 CB GLN A 102 7.885 9.228 -9.331 1.00 0.00 C ATOM 1426 CG GLN A 102 6.775 8.488 -10.058 1.00 0.00 C ATOM 1427 CD GLN A 102 6.784 7.002 -9.771 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.765 6.428 -9.390 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.940 6.369 -9.951 1.00 0.00 N ATOM 0 H GLN A 102 9.545 10.233 -7.727 1.00 0.00 H new ATOM 0 HA GLN A 102 6.637 9.963 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.047 10.190 -9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.811 8.661 -9.428 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.812 8.906 -9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.878 8.648 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.760 6.886 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.006 5.367 -9.772 1.00 0.00 H new ATOM 1438 N LEU A 103 6.331 7.646 -6.837 1.00 0.00 N ATOM 1439 CA LEU A 103 6.166 6.390 -6.111 1.00 0.00 C ATOM 1440 C LEU A 103 5.246 5.426 -6.844 1.00 0.00 C ATOM 1441 O LEU A 103 4.208 5.819 -7.371 1.00 0.00 O ATOM 1442 CB LEU A 103 5.597 6.650 -4.713 1.00 0.00 C ATOM 1443 CG LEU A 103 6.503 7.442 -3.772 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.923 6.897 -3.810 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.480 8.917 -4.138 1.00 0.00 C ATOM 0 H LEU A 103 5.458 8.096 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 103 7.154 5.937 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.654 7.186 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.369 5.691 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 103 6.128 7.334 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.553 7.475 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.920 5.852 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.315 6.973 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.130 9.470 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.832 9.043 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.462 9.297 -4.055 1.00 0.00 H new ATOM 1457 N ILE A 104 5.624 4.154 -6.843 1.00 0.00 N ATOM 1458 CA ILE A 104 4.824 3.117 -7.476 1.00 0.00 C ATOM 1459 C ILE A 104 4.576 1.987 -6.491 1.00 0.00 C ATOM 1460 O ILE A 104 5.500 1.280 -6.093 1.00 0.00 O ATOM 1461 CB ILE A 104 5.504 2.550 -8.736 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.880 3.688 -9.678 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.592 1.553 -9.436 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.699 3.244 -10.870 1.00 0.00 C ATOM 0 H ILE A 104 6.483 3.816 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 104 3.880 3.572 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 104 6.412 2.025 -8.439 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.969 4.170 -10.033 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.442 4.438 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.091 1.164 -10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.364 0.730 -8.758 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.667 2.049 -9.728 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.929 4.107 -11.495 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.627 2.789 -10.524 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.132 2.516 -11.450 1.00 0.00 H new ATOM 1476 N VAL A 105 3.323 1.829 -6.095 1.00 0.00 N ATOM 1477 CA VAL A 105 2.952 0.790 -5.143 1.00 0.00 C ATOM 1478 C VAL A 105 1.906 -0.148 -5.736 1.00 0.00 C ATOM 1479 O VAL A 105 1.428 0.064 -6.848 1.00 0.00 O ATOM 1480 CB VAL A 105 2.405 1.394 -3.835 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.464 2.252 -3.158 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.145 2.204 -4.101 1.00 0.00 C ATOM 0 H VAL A 105 2.545 2.405 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 105 3.858 0.226 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 105 2.146 0.576 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.059 2.670 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.335 1.639 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.757 3.062 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.776 2.621 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.373 3.014 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.382 1.558 -4.536 1.00 0.00 H new ATOM 1492 N ALA A 106 1.556 -1.184 -4.986 1.00 0.00 N ATOM 1493 CA ALA A 106 0.564 -2.150 -5.437 1.00 0.00 C ATOM 1494 C ALA A 106 -0.229 -2.703 -4.259 1.00 0.00 C ATOM 1495 O ALA A 106 0.323 -2.935 -3.183 1.00 0.00 O ATOM 1496 CB ALA A 106 1.234 -3.275 -6.207 1.00 0.00 C ATOM 0 H ALA A 106 1.944 -1.377 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.132 -1.641 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.480 -3.989 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.750 -2.865 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.953 -3.780 -5.562 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.525 -2.910 -4.464 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.386 -3.433 -3.410 1.00 0.00 C ATOM 1504 C ARG A 107 -3.540 -4.241 -3.992 1.00 0.00 C ATOM 1505 O ARG A 107 -3.646 -4.406 -5.206 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.933 -2.295 -2.542 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.171 -1.001 -3.300 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.463 -1.052 -4.100 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.637 -1.145 -3.238 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.869 -0.811 -3.619 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.091 -0.362 -4.849 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.879 -0.926 -2.769 1.00 0.00 N ATOM 0 H ARG A 107 -2.001 -2.724 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.781 -4.093 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.871 -2.616 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.234 -2.104 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.210 -0.169 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.333 -0.812 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.540 -0.160 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.439 -1.909 -4.773 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.506 -1.487 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.316 -0.272 -5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.036 -0.108 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.713 -1.270 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.822 -0.670 -3.060 1.00 0.00 H new ATOM 1683 N ILE B 10 10.831 -1.549 10.816 1.00 0.00 N ATOM 1684 CA ILE B 10 10.262 -0.384 10.158 1.00 0.00 C ATOM 1685 C ILE B 10 11.349 0.593 9.735 1.00 0.00 C ATOM 1686 O ILE B 10 12.430 0.631 10.322 1.00 0.00 O ATOM 1687 CB ILE B 10 9.246 0.344 11.058 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.585 -0.631 12.036 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.196 1.027 10.202 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.706 -1.660 11.360 1.00 0.00 C ATOM 0 HA ILE B 10 9.742 -0.750 9.273 1.00 0.00 H new ATOM 0 HB ILE B 10 9.776 1.097 11.640 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.360 -1.144 12.605 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.986 -0.066 12.751 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.480 1.540 10.844 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.677 1.751 9.544 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.675 0.281 9.601 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.270 -2.317 12.113 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.909 -1.155 10.814 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.304 -2.250 10.666 1.00 0.00 H new ATOM 1702 N THR B 11 11.054 1.377 8.707 1.00 0.00 N ATOM 1703 CA THR B 11 12.003 2.354 8.191 1.00 0.00 C ATOM 1704 C THR B 11 11.303 3.668 7.864 1.00 0.00 C ATOM 1705 O THR B 11 10.705 3.815 6.798 1.00 0.00 O ATOM 1706 CB THR B 11 12.688 1.800 6.942 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.229 0.517 7.195 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.809 2.677 6.427 1.00 0.00 C ATOM 0 H THR B 11 10.162 1.355 8.213 1.00 0.00 H new ATOM 0 HA THR B 11 12.753 2.548 8.958 1.00 0.00 H new ATOM 0 HB THR B 11 11.907 1.759 6.183 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.276 0.011 6.357 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.249 2.222 5.540 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.414 3.660 6.172 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.573 2.781 7.198 1.00 0.00 H new ATOM 1716 N LYS B 12 11.377 4.622 8.788 1.00 0.00 N ATOM 1717 CA LYS B 12 10.747 5.920 8.591 1.00 0.00 C ATOM 1718 C LYS B 12 11.460 6.713 7.504 1.00 0.00 C ATOM 1719 O LYS B 12 12.589 7.170 7.691 1.00 0.00 O ATOM 1720 CB LYS B 12 10.737 6.715 9.897 1.00 0.00 C ATOM 1721 CG LYS B 12 9.508 7.596 10.057 1.00 0.00 C ATOM 1722 CD LYS B 12 9.504 8.314 11.395 1.00 0.00 C ATOM 1723 CE LYS B 12 10.089 9.711 11.279 1.00 0.00 C ATOM 1724 NZ LYS B 12 10.405 10.294 12.612 1.00 0.00 N ATOM 0 H LYS B 12 11.866 4.519 9.677 1.00 0.00 H new ATOM 0 HA LYS B 12 9.718 5.748 8.274 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.790 6.022 10.736 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.630 7.338 9.941 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.478 8.329 9.250 1.00 0.00 H new ATOM 0 HG3 LYS B 12 8.609 6.986 9.968 1.00 0.00 H new ATOM 0 HD2 LYS B 12 8.483 8.376 11.773 1.00 0.00 H new ATOM 0 HD3 LYS B 12 10.078 7.737 12.120 1.00 0.00 H new ATOM 0 HE2 LYS B 12 10.995 9.676 10.674 1.00 0.00 H new ATOM 0 HE3 LYS B 12 9.383 10.358 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 10.802 11.247 12.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 9.536 10.352 13.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 11.098 9.691 13.099 1.00 0.00 H new ATOM 1738 N VAL B 13 10.795 6.873 6.365 1.00 0.00 N ATOM 1739 CA VAL B 13 11.363 7.612 5.244 1.00 0.00 C ATOM 1740 C VAL B 13 10.525 8.843 4.917 1.00 0.00 C ATOM 1741 O VAL B 13 9.844 9.355 5.829 1.00 0.00 O ATOM 1742 CB VAL B 13 11.477 6.721 3.989 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.284 5.469 4.299 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.100 6.355 3.458 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.556 9.285 3.750 1.00 0.00 O ATOM 0 H VAL B 13 9.861 6.500 6.194 1.00 0.00 H new ATOM 0 HA VAL B 13 12.361 7.931 5.543 1.00 0.00 H new ATOM 0 HB VAL B 13 11.998 7.285 3.215 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.355 4.851 3.404 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.285 5.753 4.625 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.791 4.905 5.091 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.206 5.727 2.574 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.547 5.812 4.224 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.558 7.263 3.195 1.00 0.00 H new