USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1017 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 57 LYS NZ :NH3+ -117:sc= 1.74 (180deg=0.0264) USER MOD Set 1.2: B 64 TYR OH : rot 180:sc= 0.409 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.678 K(o=1.4,f=-8.2!) USER MOD Set 2.2: B 3 LYS NZ :NH3+ 155:sc= 0.714 (180deg=-0.109) USER MOD Set 3.1: A 9 ASN : amide:sc= 0.428 K(o=0.44,f=-4.7!) USER MOD Set 3.2: A 38 SER OG : rot -116:sc= 0.012 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN :FLIP amide:sc= 0.597 F(o=-0.29,f=0.6) USER MOD Single : A 24 SER OG : rot 53:sc= -0.701 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -1.19 (180deg=-1.8!) USER MOD Single : A 33 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.19) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 77:sc= 0.198 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0.314 (180deg=0.212) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 64 TYR OH : rot -83:sc=0.000967 USER MOD Single : A 65 ASN : amide:sc= 0.377 K(o=0.38,f=-5!) USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= -0.0375 (180deg=-0.196) USER MOD Single : B 9 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.44) USER MOD Single : B 12 LYS NZ :NH3+ 168:sc= -0.0134 (180deg=-0.153) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= -0.375 X(o=-0.38,f=0) USER MOD Single : B 24 SER OG : rot -48:sc= 0.416 USER MOD Single : B 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0269) USER MOD Single : B 33 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.061) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot -179:sc= 0.892 USER MOD Single : B 39 THR OG1 : rot 79:sc= 0.414 USER MOD Single : B 50 ASN :FLIP amide:sc=-0.00108 F(o=-0.69,f=-0.0011) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 ASN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.679 13.550 4.446 1.00 54.32 N ATOM 55 CA LYS A 4 -3.123 13.875 4.534 1.00 74.11 C ATOM 56 C LYS A 4 -3.998 12.695 4.041 1.00 75.35 C ATOM 57 O LYS A 4 -4.987 12.327 4.692 1.00 15.41 O ATOM 58 CB LYS A 4 -3.428 15.166 3.720 1.00 63.00 C ATOM 59 CG LYS A 4 -2.945 16.478 4.390 1.00 21.43 C ATOM 60 CD LYS A 4 -3.703 16.788 5.710 1.00 64.22 C ATOM 61 CE LYS A 4 -5.218 16.999 5.498 1.00 2.33 C ATOM 62 NZ LYS A 4 -5.936 17.286 6.763 1.00 3.41 N ATOM 0 HA LYS A 4 -3.371 14.051 5.581 1.00 74.11 H new ATOM 0 HB2 LYS A 4 -2.961 15.081 2.739 1.00 63.00 H new ATOM 0 HB3 LYS A 4 -4.504 15.231 3.556 1.00 63.00 H new ATOM 0 HG2 LYS A 4 -1.877 16.404 4.597 1.00 21.43 H new ATOM 0 HG3 LYS A 4 -3.079 17.307 3.695 1.00 21.43 H new ATOM 0 HD2 LYS A 4 -3.550 15.968 6.412 1.00 64.22 H new ATOM 0 HD3 LYS A 4 -3.277 17.682 6.166 1.00 64.22 H new ATOM 0 HE2 LYS A 4 -5.372 17.823 4.802 1.00 2.33 H new ATOM 0 HE3 LYS A 4 -5.644 16.108 5.037 1.00 2.33 H new ATOM 0 HZ1 LYS A 4 -6.948 17.419 6.565 1.00 3.41 H new ATOM 0 HZ2 LYS A 4 -5.814 16.489 7.420 1.00 3.41 H new ATOM 0 HZ3 LYS A 4 -5.550 18.151 7.192 1.00 3.41 H new ATOM 76 N ILE A 5 -3.609 12.111 2.893 1.00 31.51 N ATOM 77 CA ILE A 5 -4.339 10.986 2.250 1.00 72.53 C ATOM 78 C ILE A 5 -4.412 9.736 3.172 1.00 14.42 C ATOM 79 O ILE A 5 -5.498 9.277 3.519 1.00 63.53 O ATOM 80 CB ILE A 5 -3.662 10.589 0.878 1.00 5.20 C ATOM 81 CG1 ILE A 5 -3.589 11.818 -0.085 1.00 52.11 C ATOM 82 CG2 ILE A 5 -4.395 9.399 0.201 1.00 52.43 C ATOM 83 CD1 ILE A 5 -2.884 11.550 -1.414 1.00 61.23 C ATOM 0 H ILE A 5 -2.778 12.402 2.378 1.00 31.51 H new ATOM 0 HA ILE A 5 -5.356 11.334 2.067 1.00 72.53 H new ATOM 0 HB ILE A 5 -2.644 10.266 1.097 1.00 5.20 H new ATOM 0 HG12 ILE A 5 -4.603 12.161 -0.290 1.00 52.11 H new ATOM 0 HG13 ILE A 5 -3.074 12.632 0.426 1.00 52.11 H new ATOM 0 HG21 ILE A 5 -3.901 9.155 -0.739 1.00 52.43 H new ATOM 0 HG22 ILE A 5 -4.368 8.532 0.861 1.00 52.43 H new ATOM 0 HG23 ILE A 5 -5.432 9.674 0.006 1.00 52.43 H new ATOM 0 HD11 ILE A 5 -2.882 12.459 -2.015 1.00 61.23 H new ATOM 0 HD12 ILE A 5 -1.857 11.238 -1.225 1.00 61.23 H new ATOM 0 HD13 ILE A 5 -3.409 10.761 -1.952 1.00 61.23 H new ATOM 95 N VAL A 6 -3.234 9.252 3.597 1.00 62.02 N ATOM 96 CA VAL A 6 -3.060 7.962 4.306 1.00 20.25 C ATOM 97 C VAL A 6 -3.960 7.829 5.562 1.00 12.41 C ATOM 98 O VAL A 6 -4.601 6.800 5.743 1.00 31.42 O ATOM 99 CB VAL A 6 -1.546 7.729 4.694 1.00 50.55 C ATOM 100 CG1 VAL A 6 -0.660 7.587 3.435 1.00 44.24 C ATOM 101 CG2 VAL A 6 -1.005 8.854 5.617 1.00 72.43 C ATOM 0 H VAL A 6 -2.356 9.751 3.458 1.00 62.02 H new ATOM 0 HA VAL A 6 -3.376 7.189 3.606 1.00 20.25 H new ATOM 0 HB VAL A 6 -1.502 6.794 5.252 1.00 50.55 H new ATOM 0 HG11 VAL A 6 0.376 7.428 3.735 1.00 44.24 H new ATOM 0 HG12 VAL A 6 -1.001 6.737 2.844 1.00 44.24 H new ATOM 0 HG13 VAL A 6 -0.729 8.496 2.837 1.00 44.24 H new ATOM 0 HG21 VAL A 6 0.039 8.655 5.860 1.00 72.43 H new ATOM 0 HG22 VAL A 6 -1.082 9.813 5.105 1.00 72.43 H new ATOM 0 HG23 VAL A 6 -1.591 8.885 6.535 1.00 72.43 H new ATOM 111 N GLY A 7 -4.034 8.899 6.382 1.00 23.13 N ATOM 112 CA GLY A 7 -4.854 8.902 7.601 1.00 54.15 C ATOM 113 C GLY A 7 -6.358 8.981 7.312 1.00 34.34 C ATOM 114 O GLY A 7 -7.159 8.290 7.954 1.00 53.52 O ATOM 0 H GLY A 7 -3.532 9.772 6.217 1.00 23.13 H new ATOM 0 HA2 GLY A 7 -4.647 7.998 8.174 1.00 54.15 H new ATOM 0 HA3 GLY A 7 -4.565 9.748 8.225 1.00 54.15 H new ATOM 118 N ALA A 8 -6.730 9.812 6.317 1.00 31.22 N ATOM 119 CA ALA A 8 -8.136 9.984 5.871 1.00 74.44 C ATOM 120 C ALA A 8 -8.750 8.665 5.334 1.00 0.34 C ATOM 121 O ALA A 8 -9.946 8.408 5.497 1.00 3.34 O ATOM 122 CB ALA A 8 -8.207 11.078 4.794 1.00 41.44 C ATOM 0 H ALA A 8 -6.066 10.385 5.797 1.00 31.22 H new ATOM 0 HA ALA A 8 -8.723 10.280 6.740 1.00 74.44 H new ATOM 0 HB1 ALA A 8 -9.240 11.202 4.469 1.00 41.44 H new ATOM 0 HB2 ALA A 8 -7.841 12.018 5.206 1.00 41.44 H new ATOM 0 HB3 ALA A 8 -7.590 10.791 3.942 1.00 41.44 H new ATOM 128 N ASN A 9 -7.923 7.859 4.651 1.00 1.21 N ATOM 129 CA ASN A 9 -8.323 6.529 4.145 1.00 42.00 C ATOM 130 C ASN A 9 -8.110 5.401 5.188 1.00 10.25 C ATOM 131 O ASN A 9 -8.753 4.359 5.090 1.00 33.24 O ATOM 132 CB ASN A 9 -7.582 6.218 2.822 1.00 43.42 C ATOM 133 CG ASN A 9 -7.960 7.192 1.700 1.00 4.15 C ATOM 134 OD1 ASN A 9 -8.955 7.014 1.019 1.00 35.43 O ATOM 135 ND2 ASN A 9 -7.173 8.219 1.489 1.00 12.50 N ATOM 0 H ASN A 9 -6.958 8.107 4.432 1.00 1.21 H new ATOM 0 HA ASN A 9 -9.395 6.563 3.951 1.00 42.00 H new ATOM 0 HB2 ASN A 9 -6.506 6.263 2.992 1.00 43.42 H new ATOM 0 HB3 ASN A 9 -7.813 5.200 2.509 1.00 43.42 H new ATOM 0 HD21 ASN A 9 -7.390 8.883 0.746 1.00 12.50 H new ATOM 0 HD22 ASN A 9 -6.344 8.354 2.068 1.00 12.50 H new ATOM 142 N ALA A 10 -7.234 5.620 6.201 1.00 4.40 N ATOM 143 CA ALA A 10 -6.860 4.570 7.199 1.00 31.12 C ATOM 144 C ALA A 10 -8.016 4.253 8.164 1.00 3.44 C ATOM 145 O ALA A 10 -8.224 3.094 8.537 1.00 61.35 O ATOM 146 CB ALA A 10 -5.614 4.992 7.995 1.00 52.13 C ATOM 0 H ALA A 10 -6.769 6.515 6.353 1.00 4.40 H new ATOM 0 HA ALA A 10 -6.635 3.664 6.637 1.00 31.12 H new ATOM 0 HB1 ALA A 10 -5.361 4.213 8.714 1.00 52.13 H new ATOM 0 HB2 ALA A 10 -4.778 5.140 7.311 1.00 52.13 H new ATOM 0 HB3 ALA A 10 -5.818 5.923 8.525 1.00 52.13 H new ATOM 152 N GLY A 11 -8.751 5.302 8.572 1.00 53.23 N ATOM 153 CA GLY A 11 -9.947 5.140 9.411 1.00 61.20 C ATOM 154 C GLY A 11 -11.089 4.420 8.679 1.00 62.03 C ATOM 155 O GLY A 11 -11.869 3.688 9.291 1.00 42.31 O ATOM 0 H GLY A 11 -8.536 6.270 8.333 1.00 53.23 H new ATOM 0 HA2 GLY A 11 -9.684 4.578 10.307 1.00 61.20 H new ATOM 0 HA3 GLY A 11 -10.292 6.121 9.739 1.00 61.20 H new ATOM 159 N LYS A 12 -11.167 4.640 7.356 1.00 34.42 N ATOM 160 CA LYS A 12 -12.155 3.993 6.467 1.00 75.24 C ATOM 161 C LYS A 12 -11.850 2.484 6.250 1.00 10.21 C ATOM 162 O LYS A 12 -12.743 1.637 6.386 1.00 11.40 O ATOM 163 CB LYS A 12 -12.196 4.756 5.109 1.00 71.13 C ATOM 164 CG LYS A 12 -13.153 4.174 4.043 1.00 14.34 C ATOM 165 CD LYS A 12 -14.642 4.154 4.473 1.00 4.12 C ATOM 166 CE LYS A 12 -15.244 5.559 4.643 1.00 22.33 C ATOM 167 NZ LYS A 12 -16.652 5.510 5.112 1.00 40.04 N ATOM 0 H LYS A 12 -10.541 5.278 6.865 1.00 34.42 H new ATOM 0 HA LYS A 12 -13.133 4.043 6.945 1.00 75.24 H new ATOM 0 HB2 LYS A 12 -12.482 5.790 5.302 1.00 71.13 H new ATOM 0 HB3 LYS A 12 -11.188 4.777 4.694 1.00 71.13 H new ATOM 0 HG2 LYS A 12 -13.058 4.758 3.127 1.00 14.34 H new ATOM 0 HG3 LYS A 12 -12.841 3.157 3.806 1.00 14.34 H new ATOM 0 HD2 LYS A 12 -15.221 3.606 3.730 1.00 4.12 H new ATOM 0 HD3 LYS A 12 -14.734 3.610 5.413 1.00 4.12 H new ATOM 0 HE2 LYS A 12 -14.645 6.126 5.355 1.00 22.33 H new ATOM 0 HE3 LYS A 12 -15.197 6.091 3.693 1.00 22.33 H new ATOM 0 HZ1 LYS A 12 -17.018 6.478 5.213 1.00 40.04 H new ATOM 0 HZ2 LYS A 12 -17.230 4.991 4.421 1.00 40.04 H new ATOM 0 HZ3 LYS A 12 -16.695 5.026 6.032 1.00 40.04 H new ATOM 181 N VAL A 13 -10.584 2.155 5.927 1.00 75.21 N ATOM 182 CA VAL A 13 -10.181 0.764 5.585 1.00 30.11 C ATOM 183 C VAL A 13 -10.090 -0.151 6.834 1.00 54.43 C ATOM 184 O VAL A 13 -10.373 -1.346 6.741 1.00 12.20 O ATOM 185 CB VAL A 13 -8.834 0.720 4.769 1.00 25.34 C ATOM 186 CG1 VAL A 13 -8.960 1.526 3.453 1.00 52.43 C ATOM 187 CG2 VAL A 13 -7.631 1.209 5.607 1.00 31.24 C ATOM 0 H VAL A 13 -9.819 2.828 5.894 1.00 75.21 H new ATOM 0 HA VAL A 13 -10.974 0.373 4.947 1.00 30.11 H new ATOM 0 HB VAL A 13 -8.644 -0.323 4.516 1.00 25.34 H new ATOM 0 HG11 VAL A 13 -8.018 1.481 2.907 1.00 52.43 H new ATOM 0 HG12 VAL A 13 -9.755 1.101 2.840 1.00 52.43 H new ATOM 0 HG13 VAL A 13 -9.196 2.565 3.684 1.00 52.43 H new ATOM 0 HG21 VAL A 13 -6.724 1.161 5.004 1.00 31.24 H new ATOM 0 HG22 VAL A 13 -7.802 2.238 5.924 1.00 31.24 H new ATOM 0 HG23 VAL A 13 -7.517 0.573 6.485 1.00 31.24 H new ATOM 197 N TRP A 14 -9.698 0.420 7.997 1.00 73.03 N ATOM 198 CA TRP A 14 -9.670 -0.330 9.282 1.00 54.33 C ATOM 199 C TRP A 14 -11.115 -0.620 9.773 1.00 53.15 C ATOM 200 O TRP A 14 -11.389 -1.675 10.355 1.00 15.30 O ATOM 201 CB TRP A 14 -8.858 0.433 10.362 1.00 22.33 C ATOM 202 CG TRP A 14 -8.435 -0.429 11.541 1.00 63.13 C ATOM 203 CD1 TRP A 14 -7.349 -1.259 11.605 1.00 64.33 C ATOM 204 CD2 TRP A 14 -9.092 -0.548 12.812 1.00 75.12 C ATOM 205 NE1 TRP A 14 -7.303 -1.879 12.828 1.00 35.32 N ATOM 206 CE2 TRP A 14 -8.358 -1.465 13.584 1.00 23.34 C ATOM 207 CE3 TRP A 14 -10.233 0.028 13.359 1.00 14.32 C ATOM 208 CZ2 TRP A 14 -8.723 -1.807 14.885 1.00 22.43 C ATOM 209 CZ3 TRP A 14 -10.603 -0.309 14.649 1.00 74.45 C ATOM 210 CH2 TRP A 14 -9.851 -1.225 15.399 1.00 11.14 C ATOM 0 H TRP A 14 -9.398 1.392 8.076 1.00 73.03 H new ATOM 0 HA TRP A 14 -9.169 -1.282 9.107 1.00 54.33 H new ATOM 0 HB2 TRP A 14 -7.968 0.859 9.899 1.00 22.33 H new ATOM 0 HB3 TRP A 14 -9.456 1.266 10.730 1.00 22.33 H new ATOM 0 HD1 TRP A 14 -6.633 -1.405 10.810 1.00 64.33 H new ATOM 0 HE1 TRP A 14 -6.590 -2.546 13.125 1.00 35.32 H new ATOM 0 HE3 TRP A 14 -10.822 0.728 12.785 1.00 14.32 H new ATOM 0 HZ2 TRP A 14 -8.138 -2.505 15.466 1.00 22.43 H new ATOM 0 HZ3 TRP A 14 -11.483 0.140 15.085 1.00 74.45 H new ATOM 0 HH2 TRP A 14 -10.167 -1.476 16.401 1.00 11.14 H new ATOM 221 N HIS A 15 -12.028 0.340 9.513 1.00 35.01 N ATOM 222 CA HIS A 15 -13.487 0.161 9.719 1.00 51.34 C ATOM 223 C HIS A 15 -14.048 -0.967 8.819 1.00 52.32 C ATOM 224 O HIS A 15 -14.959 -1.696 9.216 1.00 70.43 O ATOM 225 CB HIS A 15 -14.221 1.497 9.435 1.00 45.31 C ATOM 226 CG HIS A 15 -15.728 1.413 9.465 1.00 33.54 C ATOM 227 ND1 HIS A 15 -16.451 1.320 10.632 1.00 2.42 N ATOM 228 CD2 HIS A 15 -16.643 1.395 8.463 1.00 41.15 C ATOM 229 CE1 HIS A 15 -17.729 1.239 10.352 1.00 33.12 C ATOM 230 NE2 HIS A 15 -17.877 1.288 9.048 1.00 70.22 N ATOM 0 H HIS A 15 -11.778 1.262 9.154 1.00 35.01 H new ATOM 0 HA HIS A 15 -13.656 -0.130 10.756 1.00 51.34 H new ATOM 0 HB2 HIS A 15 -13.898 2.235 10.169 1.00 45.31 H new ATOM 0 HB3 HIS A 15 -13.911 1.864 8.456 1.00 45.31 H new ATOM 0 HD2 HIS A 15 -16.437 1.454 7.404 1.00 41.15 H new ATOM 0 HE1 HIS A 15 -18.527 1.147 11.074 1.00 33.12 H new ATOM 0 HE2 HIS A 15 -18.767 1.252 8.551 1.00 70.22 H new ATOM 239 N ALA A 16 -13.495 -1.085 7.604 1.00 23.51 N ATOM 240 CA ALA A 16 -13.884 -2.129 6.631 1.00 51.13 C ATOM 241 C ALA A 16 -13.464 -3.549 7.087 1.00 52.51 C ATOM 242 O ALA A 16 -14.113 -4.544 6.747 1.00 51.14 O ATOM 243 CB ALA A 16 -13.290 -1.798 5.274 1.00 21.44 C ATOM 0 H ALA A 16 -12.764 -0.461 7.263 1.00 23.51 H new ATOM 0 HA ALA A 16 -14.972 -2.138 6.563 1.00 51.13 H new ATOM 0 HB1 ALA A 16 -13.575 -2.566 4.555 1.00 21.44 H new ATOM 0 HB2 ALA A 16 -13.664 -0.831 4.939 1.00 21.44 H new ATOM 0 HB3 ALA A 16 -12.203 -1.760 5.352 1.00 21.44 H new ATOM 249 N LEU A 17 -12.352 -3.614 7.828 1.00 21.33 N ATOM 250 CA LEU A 17 -11.905 -4.841 8.528 1.00 51.23 C ATOM 251 C LEU A 17 -12.864 -5.205 9.694 1.00 52.24 C ATOM 252 O LEU A 17 -13.029 -6.384 10.033 1.00 41.42 O ATOM 253 CB LEU A 17 -10.470 -4.621 9.055 1.00 22.24 C ATOM 254 CG LEU A 17 -9.413 -4.228 7.978 1.00 61.02 C ATOM 255 CD1 LEU A 17 -8.094 -3.768 8.628 1.00 11.22 C ATOM 256 CD2 LEU A 17 -9.189 -5.379 6.969 1.00 22.02 C ATOM 0 H LEU A 17 -11.729 -2.818 7.965 1.00 21.33 H new ATOM 0 HA LEU A 17 -11.916 -5.675 7.826 1.00 51.23 H new ATOM 0 HB2 LEU A 17 -10.496 -3.840 9.815 1.00 22.24 H new ATOM 0 HB3 LEU A 17 -10.138 -5.535 9.548 1.00 22.24 H new ATOM 0 HG LEU A 17 -9.806 -3.379 7.418 1.00 61.02 H new ATOM 0 HD11 LEU A 17 -7.379 -3.501 7.850 1.00 11.22 H new ATOM 0 HD12 LEU A 17 -8.283 -2.900 9.260 1.00 11.22 H new ATOM 0 HD13 LEU A 17 -7.686 -4.577 9.234 1.00 11.22 H new ATOM 0 HD21 LEU A 17 -8.447 -5.076 6.230 1.00 22.02 H new ATOM 0 HD22 LEU A 17 -8.834 -6.263 7.498 1.00 22.02 H new ATOM 0 HD23 LEU A 17 -10.128 -5.610 6.466 1.00 22.02 H new ATOM 268 N ASN A 18 -13.474 -4.168 10.312 1.00 40.31 N ATOM 269 CA ASN A 18 -14.510 -4.343 11.361 1.00 12.53 C ATOM 270 C ASN A 18 -15.874 -4.781 10.755 1.00 52.35 C ATOM 271 O ASN A 18 -16.711 -5.354 11.459 1.00 43.22 O ATOM 272 CB ASN A 18 -14.679 -3.034 12.178 1.00 22.31 C ATOM 273 CG ASN A 18 -13.374 -2.492 12.780 1.00 72.04 C ATOM 274 OD1 ASN A 18 -12.447 -3.357 13.155 1.00 61.43 O flip ATOM 275 ND2 ASN A 18 -13.206 -1.290 12.924 1.00 52.12 N flip ATOM 0 H ASN A 18 -13.265 -3.192 10.101 1.00 40.31 H new ATOM 0 HA ASN A 18 -14.173 -5.137 12.027 1.00 12.53 H new ATOM 0 HB2 ASN A 18 -15.113 -2.270 11.533 1.00 22.31 H new ATOM 0 HB3 ASN A 18 -15.391 -3.212 12.984 1.00 22.31 H new ATOM 0 HD21 ASN A 18 -13.930 -0.635 12.630 1.00 52.12 H new ATOM 0 HD22 ASN A 18 -12.341 -0.942 13.338 1.00 52.12 H new ATOM 282 N GLU A 19 -16.093 -4.489 9.451 1.00 23.34 N ATOM 283 CA GLU A 19 -17.243 -5.038 8.690 1.00 21.30 C ATOM 284 C GLU A 19 -17.085 -6.574 8.570 1.00 24.31 C ATOM 285 O GLU A 19 -17.939 -7.345 9.028 1.00 5.40 O ATOM 286 CB GLU A 19 -17.327 -4.412 7.266 1.00 32.14 C ATOM 287 CG GLU A 19 -17.361 -2.872 7.213 1.00 13.24 C ATOM 288 CD GLU A 19 -18.624 -2.251 7.819 1.00 74.02 C ATOM 289 OE1 GLU A 19 -19.651 -2.175 7.113 1.00 1.35 O ATOM 290 OE2 GLU A 19 -18.599 -1.838 8.997 1.00 14.24 O ATOM 0 H GLU A 19 -15.489 -3.876 8.903 1.00 23.34 H new ATOM 0 HA GLU A 19 -18.161 -4.793 9.224 1.00 21.30 H new ATOM 0 HB2 GLU A 19 -16.471 -4.758 6.686 1.00 32.14 H new ATOM 0 HB3 GLU A 19 -18.221 -4.794 6.774 1.00 32.14 H new ATOM 0 HG2 GLU A 19 -16.490 -2.482 7.739 1.00 13.24 H new ATOM 0 HG3 GLU A 19 -17.275 -2.553 6.174 1.00 13.24 H new ATOM 297 N ALA A 20 -15.952 -6.980 7.966 1.00 40.21 N ATOM 298 CA ALA A 20 -15.543 -8.392 7.831 1.00 11.32 C ATOM 299 C ALA A 20 -14.079 -8.474 7.345 1.00 44.12 C ATOM 300 O ALA A 20 -13.758 -8.003 6.246 1.00 4.23 O ATOM 301 CB ALA A 20 -16.473 -9.162 6.868 1.00 31.35 C ATOM 0 H ALA A 20 -15.286 -6.328 7.552 1.00 40.21 H new ATOM 0 HA ALA A 20 -15.622 -8.861 8.812 1.00 11.32 H new ATOM 0 HB1 ALA A 20 -16.142 -10.198 6.793 1.00 31.35 H new ATOM 0 HB2 ALA A 20 -17.494 -9.134 7.248 1.00 31.35 H new ATOM 0 HB3 ALA A 20 -16.440 -8.698 5.882 1.00 31.35 H new ATOM 307 N ASP A 21 -13.201 -9.064 8.171 1.00 21.04 N ATOM 308 CA ASP A 21 -11.788 -9.317 7.809 1.00 44.13 C ATOM 309 C ASP A 21 -11.664 -10.690 7.101 1.00 53.52 C ATOM 310 O ASP A 21 -12.608 -11.494 7.116 1.00 23.43 O ATOM 311 CB ASP A 21 -10.884 -9.235 9.070 1.00 31.52 C ATOM 312 CG ASP A 21 -11.232 -10.279 10.145 1.00 63.34 C ATOM 313 OD1 ASP A 21 -12.285 -10.144 10.799 1.00 5.33 O ATOM 314 OD2 ASP A 21 -10.464 -11.241 10.334 1.00 43.14 O ATOM 0 H ASP A 21 -13.445 -9.381 9.109 1.00 21.04 H new ATOM 0 HA ASP A 21 -11.449 -8.549 7.114 1.00 44.13 H new ATOM 0 HB2 ASP A 21 -9.844 -9.366 8.771 1.00 31.52 H new ATOM 0 HB3 ASP A 21 -10.968 -8.238 9.503 1.00 31.52 H new ATOM 319 N GLY A 22 -10.498 -10.968 6.495 1.00 31.14 N ATOM 320 CA GLY A 22 -10.349 -12.151 5.626 1.00 2.23 C ATOM 321 C GLY A 22 -10.837 -11.856 4.218 1.00 51.24 C ATOM 322 O GLY A 22 -11.776 -12.481 3.709 1.00 55.11 O ATOM 0 H GLY A 22 -9.655 -10.400 6.587 1.00 31.14 H new ATOM 0 HA2 GLY A 22 -9.303 -12.455 5.596 1.00 2.23 H new ATOM 0 HA3 GLY A 22 -10.912 -12.986 6.043 1.00 2.23 H new ATOM 326 N ILE A 23 -10.181 -10.871 3.602 1.00 25.10 N ATOM 327 CA ILE A 23 -10.569 -10.320 2.295 1.00 22.23 C ATOM 328 C ILE A 23 -9.338 -9.673 1.618 1.00 53.44 C ATOM 329 O ILE A 23 -8.404 -9.239 2.303 1.00 42.40 O ATOM 330 CB ILE A 23 -11.754 -9.284 2.472 1.00 34.12 C ATOM 331 CG1 ILE A 23 -12.333 -8.806 1.100 1.00 71.01 C ATOM 332 CG2 ILE A 23 -11.330 -8.082 3.353 1.00 44.11 C ATOM 333 CD1 ILE A 23 -13.586 -7.939 1.190 1.00 41.13 C ATOM 0 H ILE A 23 -9.354 -10.425 3.999 1.00 25.10 H new ATOM 0 HA ILE A 23 -10.927 -11.121 1.649 1.00 22.23 H new ATOM 0 HB ILE A 23 -12.556 -9.810 2.990 1.00 34.12 H new ATOM 0 HG12 ILE A 23 -11.560 -8.246 0.573 1.00 71.01 H new ATOM 0 HG13 ILE A 23 -12.560 -9.683 0.494 1.00 71.01 H new ATOM 0 HG21 ILE A 23 -12.167 -7.391 3.453 1.00 44.11 H new ATOM 0 HG22 ILE A 23 -11.035 -8.440 4.339 1.00 44.11 H new ATOM 0 HG23 ILE A 23 -10.489 -7.568 2.887 1.00 44.11 H new ATOM 0 HD11 ILE A 23 -13.908 -7.660 0.187 1.00 41.13 H new ATOM 0 HD12 ILE A 23 -14.381 -8.498 1.684 1.00 41.13 H new ATOM 0 HD13 ILE A 23 -13.365 -7.039 1.764 1.00 41.13 H new ATOM 345 N SER A 24 -9.315 -9.661 0.275 1.00 32.12 N ATOM 346 CA SER A 24 -8.215 -9.044 -0.506 1.00 70.12 C ATOM 347 C SER A 24 -8.457 -7.533 -0.715 1.00 61.43 C ATOM 348 O SER A 24 -9.598 -7.065 -0.640 1.00 0.21 O ATOM 349 CB SER A 24 -8.068 -9.768 -1.859 1.00 63.10 C ATOM 350 OG SER A 24 -6.989 -9.247 -2.622 1.00 31.35 O ATOM 0 H SER A 24 -10.049 -10.073 -0.301 1.00 32.12 H new ATOM 0 HA SER A 24 -7.287 -9.151 0.056 1.00 70.12 H new ATOM 0 HB2 SER A 24 -7.910 -10.833 -1.686 1.00 63.10 H new ATOM 0 HB3 SER A 24 -8.994 -9.671 -2.426 1.00 63.10 H new ATOM 0 HG SER A 24 -6.172 -9.254 -2.081 1.00 31.35 H new ATOM 356 N ILE A 25 -7.368 -6.787 -1.005 1.00 75.34 N ATOM 357 CA ILE A 25 -7.382 -5.300 -1.107 1.00 41.10 C ATOM 358 C ILE A 25 -8.412 -4.734 -2.156 1.00 31.24 C ATOM 359 O ILE A 25 -9.186 -3.835 -1.805 1.00 12.43 O ATOM 360 CB ILE A 25 -5.934 -4.727 -1.402 1.00 11.04 C ATOM 361 CG1 ILE A 25 -4.928 -5.163 -0.286 1.00 64.11 C ATOM 362 CG2 ILE A 25 -5.945 -3.186 -1.577 1.00 33.42 C ATOM 363 CD1 ILE A 25 -3.498 -4.658 -0.458 1.00 33.12 C ATOM 0 H ILE A 25 -6.449 -7.195 -1.176 1.00 75.34 H new ATOM 0 HA ILE A 25 -7.718 -4.955 -0.129 1.00 41.10 H new ATOM 0 HB ILE A 25 -5.600 -5.152 -2.348 1.00 11.04 H new ATOM 0 HG12 ILE A 25 -5.305 -4.814 0.675 1.00 64.11 H new ATOM 0 HG13 ILE A 25 -4.908 -6.252 -0.244 1.00 64.11 H new ATOM 0 HG21 ILE A 25 -4.933 -2.835 -1.777 1.00 33.42 H new ATOM 0 HG22 ILE A 25 -6.593 -2.919 -2.412 1.00 33.42 H new ATOM 0 HG23 ILE A 25 -6.317 -2.719 -0.665 1.00 33.42 H new ATOM 0 HD11 ILE A 25 -2.884 -5.017 0.368 1.00 33.12 H new ATOM 0 HD12 ILE A 25 -3.092 -5.028 -1.399 1.00 33.12 H new ATOM 0 HD13 ILE A 25 -3.495 -3.568 -0.465 1.00 33.12 H new ATOM 375 N PRO A 26 -8.465 -5.230 -3.454 1.00 30.02 N ATOM 376 CA PRO A 26 -9.415 -4.691 -4.470 1.00 55.52 C ATOM 377 C PRO A 26 -10.897 -5.063 -4.199 1.00 25.30 C ATOM 378 O PRO A 26 -11.804 -4.380 -4.667 1.00 41.11 O ATOM 379 CB PRO A 26 -8.905 -5.314 -5.801 1.00 63.23 C ATOM 380 CG PRO A 26 -8.261 -6.597 -5.382 1.00 42.41 C ATOM 381 CD PRO A 26 -7.612 -6.300 -4.050 1.00 0.51 C ATOM 0 HA PRO A 26 -9.426 -3.601 -4.470 1.00 55.52 H new ATOM 0 HB2 PRO A 26 -9.724 -5.489 -6.499 1.00 63.23 H new ATOM 0 HB3 PRO A 26 -8.194 -4.657 -6.302 1.00 63.23 H new ATOM 0 HG2 PRO A 26 -8.997 -7.396 -5.292 1.00 42.41 H new ATOM 0 HG3 PRO A 26 -7.524 -6.925 -6.115 1.00 42.41 H new ATOM 0 HD2 PRO A 26 -7.584 -7.186 -3.415 1.00 0.51 H new ATOM 0 HD3 PRO A 26 -6.583 -5.964 -4.175 1.00 0.51 H new ATOM 389 N GLU A 27 -11.116 -6.133 -3.426 1.00 55.30 N ATOM 390 CA GLU A 27 -12.466 -6.610 -3.035 1.00 74.21 C ATOM 391 C GLU A 27 -13.015 -5.735 -1.902 1.00 1.42 C ATOM 392 O GLU A 27 -14.203 -5.402 -1.838 1.00 74.23 O ATOM 393 CB GLU A 27 -12.360 -8.082 -2.571 1.00 35.31 C ATOM 394 CG GLU A 27 -11.809 -9.049 -3.642 1.00 25.13 C ATOM 395 CD GLU A 27 -12.654 -9.077 -4.932 1.00 34.22 C ATOM 396 OE1 GLU A 27 -13.662 -9.814 -4.979 1.00 73.11 O ATOM 397 OE2 GLU A 27 -12.327 -8.347 -5.896 1.00 13.33 O ATOM 0 H GLU A 27 -10.361 -6.703 -3.046 1.00 55.30 H new ATOM 0 HA GLU A 27 -13.145 -6.545 -3.885 1.00 74.21 H new ATOM 0 HB2 GLU A 27 -11.717 -8.128 -1.692 1.00 35.31 H new ATOM 0 HB3 GLU A 27 -13.347 -8.425 -2.262 1.00 35.31 H new ATOM 0 HG2 GLU A 27 -10.788 -8.760 -3.891 1.00 25.13 H new ATOM 0 HG3 GLU A 27 -11.763 -10.055 -3.224 1.00 25.13 H new ATOM 404 N LEU A 28 -12.091 -5.398 -1.013 1.00 1.44 N ATOM 405 CA LEU A 28 -12.298 -4.491 0.111 1.00 62.45 C ATOM 406 C LEU A 28 -12.516 -3.029 -0.373 1.00 52.21 C ATOM 407 O LEU A 28 -13.289 -2.270 0.223 1.00 41.14 O ATOM 408 CB LEU A 28 -11.040 -4.594 0.991 1.00 33.51 C ATOM 409 CG LEU A 28 -11.076 -3.825 2.323 1.00 73.22 C ATOM 410 CD1 LEU A 28 -12.126 -4.424 3.283 1.00 52.31 C ATOM 411 CD2 LEU A 28 -9.678 -3.782 2.950 1.00 53.11 C ATOM 0 H LEU A 28 -11.139 -5.762 -1.055 1.00 1.44 H new ATOM 0 HA LEU A 28 -13.194 -4.766 0.668 1.00 62.45 H new ATOM 0 HB2 LEU A 28 -10.860 -5.647 1.208 1.00 33.51 H new ATOM 0 HB3 LEU A 28 -10.188 -4.237 0.413 1.00 33.51 H new ATOM 0 HG LEU A 28 -11.381 -2.797 2.126 1.00 73.22 H new ATOM 0 HD11 LEU A 28 -12.129 -3.861 4.216 1.00 52.31 H new ATOM 0 HD12 LEU A 28 -13.113 -4.370 2.823 1.00 52.31 H new ATOM 0 HD13 LEU A 28 -11.879 -5.465 3.489 1.00 52.31 H new ATOM 0 HD21 LEU A 28 -9.718 -3.235 3.892 1.00 53.11 H new ATOM 0 HD22 LEU A 28 -9.331 -4.799 3.135 1.00 53.11 H new ATOM 0 HD23 LEU A 28 -8.989 -3.282 2.269 1.00 53.11 H new ATOM 423 N ALA A 29 -11.822 -2.671 -1.473 1.00 23.34 N ATOM 424 CA ALA A 29 -11.940 -1.351 -2.140 1.00 63.51 C ATOM 425 C ALA A 29 -13.387 -1.067 -2.622 1.00 70.44 C ATOM 426 O ALA A 29 -13.848 0.082 -2.612 1.00 43.02 O ATOM 427 CB ALA A 29 -10.961 -1.278 -3.320 1.00 14.42 C ATOM 0 H ALA A 29 -11.156 -3.294 -1.930 1.00 23.34 H new ATOM 0 HA ALA A 29 -11.689 -0.584 -1.407 1.00 63.51 H new ATOM 0 HB1 ALA A 29 -11.050 -0.307 -3.807 1.00 14.42 H new ATOM 0 HB2 ALA A 29 -9.942 -1.409 -2.956 1.00 14.42 H new ATOM 0 HB3 ALA A 29 -11.194 -2.066 -4.036 1.00 14.42 H new ATOM 433 N ARG A 30 -14.089 -2.149 -3.015 1.00 71.13 N ATOM 434 CA ARG A 30 -15.496 -2.098 -3.480 1.00 24.33 C ATOM 435 C ARG A 30 -16.454 -1.687 -2.335 1.00 62.03 C ATOM 436 O ARG A 30 -17.451 -0.994 -2.560 1.00 55.14 O ATOM 437 CB ARG A 30 -15.912 -3.476 -4.058 1.00 43.22 C ATOM 438 CG ARG A 30 -14.934 -4.039 -5.110 1.00 14.32 C ATOM 439 CD ARG A 30 -15.350 -5.416 -5.663 1.00 63.24 C ATOM 440 NE ARG A 30 -14.259 -6.074 -6.410 1.00 63.24 N ATOM 441 CZ ARG A 30 -14.000 -5.938 -7.695 1.00 74.24 C ATOM 442 NH1 ARG A 30 -14.699 -5.150 -8.458 1.00 43.30 N ATOM 443 NH2 ARG A 30 -13.021 -6.604 -8.208 1.00 13.31 N ATOM 0 H ARG A 30 -13.696 -3.090 -3.020 1.00 71.13 H new ATOM 0 HA ARG A 30 -15.567 -1.342 -4.262 1.00 24.33 H new ATOM 0 HB2 ARG A 30 -15.999 -4.190 -3.239 1.00 43.22 H new ATOM 0 HB3 ARG A 30 -16.901 -3.386 -4.508 1.00 43.22 H new ATOM 0 HG2 ARG A 30 -14.856 -3.333 -5.937 1.00 14.32 H new ATOM 0 HG3 ARG A 30 -13.942 -4.120 -4.666 1.00 14.32 H new ATOM 0 HD2 ARG A 30 -15.661 -6.057 -4.838 1.00 63.24 H new ATOM 0 HD3 ARG A 30 -16.214 -5.296 -6.317 1.00 63.24 H new ATOM 0 HE ARG A 30 -13.647 -6.694 -5.880 1.00 63.24 H new ATOM 0 HH11 ARG A 30 -15.473 -4.615 -8.065 1.00 43.30 H new ATOM 0 HH12 ARG A 30 -14.473 -5.067 -9.449 1.00 43.30 H new ATOM 0 HH21 ARG A 30 -12.462 -7.223 -7.621 1.00 13.31 H new ATOM 0 HH22 ARG A 30 -12.806 -6.511 -9.201 1.00 13.31 H new ATOM 457 N LYS A 31 -16.127 -2.132 -1.103 1.00 44.34 N ATOM 458 CA LYS A 31 -16.908 -1.814 0.119 1.00 15.13 C ATOM 459 C LYS A 31 -16.780 -0.322 0.501 1.00 41.42 C ATOM 460 O LYS A 31 -17.768 0.346 0.816 1.00 55.40 O ATOM 461 CB LYS A 31 -16.423 -2.673 1.321 1.00 51.33 C ATOM 462 CG LYS A 31 -16.366 -4.196 1.073 1.00 20.11 C ATOM 463 CD LYS A 31 -15.991 -5.008 2.349 1.00 21.33 C ATOM 464 CE LYS A 31 -17.183 -5.270 3.308 1.00 62.25 C ATOM 465 NZ LYS A 31 -17.890 -4.034 3.749 1.00 35.10 N ATOM 0 H LYS A 31 -15.315 -2.722 -0.924 1.00 44.34 H new ATOM 0 HA LYS A 31 -17.951 -2.039 -0.104 1.00 15.13 H new ATOM 0 HB2 LYS A 31 -15.429 -2.333 1.610 1.00 51.33 H new ATOM 0 HB3 LYS A 31 -17.083 -2.485 2.168 1.00 51.33 H new ATOM 0 HG2 LYS A 31 -17.334 -4.535 0.705 1.00 20.11 H new ATOM 0 HG3 LYS A 31 -15.637 -4.404 0.290 1.00 20.11 H new ATOM 0 HD2 LYS A 31 -15.566 -5.965 2.046 1.00 21.33 H new ATOM 0 HD3 LYS A 31 -15.213 -4.471 2.892 1.00 21.33 H new ATOM 0 HE2 LYS A 31 -17.897 -5.927 2.812 1.00 62.25 H new ATOM 0 HE3 LYS A 31 -16.818 -5.801 4.187 1.00 62.25 H new ATOM 0 HZ1 LYS A 31 -18.494 -4.253 4.567 1.00 35.10 H new ATOM 0 HZ2 LYS A 31 -17.192 -3.312 4.018 1.00 35.10 H new ATOM 0 HZ3 LYS A 31 -18.478 -3.674 2.970 1.00 35.10 H new ATOM 479 N VAL A 32 -15.531 0.175 0.465 1.00 1.24 N ATOM 480 CA VAL A 32 -15.162 1.519 0.980 1.00 14.41 C ATOM 481 C VAL A 32 -15.254 2.646 -0.077 1.00 21.24 C ATOM 482 O VAL A 32 -15.042 3.819 0.263 1.00 72.41 O ATOM 483 CB VAL A 32 -13.710 1.483 1.582 1.00 73.25 C ATOM 484 CG1 VAL A 32 -13.654 0.578 2.824 1.00 20.31 C ATOM 485 CG2 VAL A 32 -12.662 1.036 0.536 1.00 20.24 C ATOM 0 H VAL A 32 -14.741 -0.341 0.078 1.00 1.24 H new ATOM 0 HA VAL A 32 -15.896 1.756 1.750 1.00 14.41 H new ATOM 0 HB VAL A 32 -13.460 2.501 1.882 1.00 73.25 H new ATOM 0 HG11 VAL A 32 -12.639 0.569 3.222 1.00 20.31 H new ATOM 0 HG12 VAL A 32 -14.338 0.958 3.582 1.00 20.31 H new ATOM 0 HG13 VAL A 32 -13.944 -0.436 2.549 1.00 20.31 H new ATOM 0 HG21 VAL A 32 -11.673 1.025 0.994 1.00 20.24 H new ATOM 0 HG22 VAL A 32 -12.908 0.036 0.179 1.00 20.24 H new ATOM 0 HG23 VAL A 32 -12.666 1.732 -0.303 1.00 20.24 H new ATOM 495 N ASN A 33 -15.538 2.269 -1.351 1.00 42.51 N ATOM 496 CA ASN A 33 -15.665 3.215 -2.504 1.00 24.11 C ATOM 497 C ASN A 33 -14.289 3.878 -2.878 1.00 61.04 C ATOM 498 O ASN A 33 -14.215 4.759 -3.740 1.00 12.31 O ATOM 499 CB ASN A 33 -16.791 4.270 -2.194 1.00 74.41 C ATOM 500 CG ASN A 33 -17.085 5.276 -3.316 1.00 42.21 C ATOM 501 OD1 ASN A 33 -17.909 5.032 -4.194 1.00 4.24 O ATOM 502 ND2 ASN A 33 -16.440 6.430 -3.272 1.00 3.05 N ATOM 0 H ASN A 33 -15.687 1.295 -1.614 1.00 42.51 H new ATOM 0 HA ASN A 33 -15.962 2.656 -3.391 1.00 24.11 H new ATOM 0 HB2 ASN A 33 -17.711 3.735 -1.960 1.00 74.41 H new ATOM 0 HB3 ASN A 33 -16.508 4.824 -1.299 1.00 74.41 H new ATOM 0 HD21 ASN A 33 -16.622 7.143 -3.978 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -15.761 6.607 -2.532 1.00 3.05 H new ATOM 509 N LEU A 34 -13.188 3.392 -2.268 1.00 63.23 N ATOM 510 CA LEU A 34 -11.819 3.907 -2.530 1.00 55.33 C ATOM 511 C LEU A 34 -11.143 3.087 -3.644 1.00 32.12 C ATOM 512 O LEU A 34 -11.533 1.944 -3.905 1.00 62.43 O ATOM 513 CB LEU A 34 -10.953 3.839 -1.237 1.00 61.44 C ATOM 514 CG LEU A 34 -11.549 4.521 0.034 1.00 42.22 C ATOM 515 CD1 LEU A 34 -10.635 4.304 1.261 1.00 34.51 C ATOM 516 CD2 LEU A 34 -11.838 6.021 -0.211 1.00 4.33 C ATOM 0 H LEU A 34 -13.217 2.636 -1.584 1.00 63.23 H new ATOM 0 HA LEU A 34 -11.902 4.946 -2.848 1.00 55.33 H new ATOM 0 HB2 LEU A 34 -10.766 2.790 -1.006 1.00 61.44 H new ATOM 0 HB3 LEU A 34 -9.986 4.296 -1.449 1.00 61.44 H new ATOM 0 HG LEU A 34 -12.505 4.044 0.251 1.00 42.22 H new ATOM 0 HD11 LEU A 34 -11.074 4.790 2.132 1.00 34.51 H new ATOM 0 HD12 LEU A 34 -10.532 3.236 1.454 1.00 34.51 H new ATOM 0 HD13 LEU A 34 -9.653 4.733 1.063 1.00 34.51 H new ATOM 0 HD21 LEU A 34 -12.252 6.464 0.695 1.00 4.33 H new ATOM 0 HD22 LEU A 34 -10.912 6.532 -0.474 1.00 4.33 H new ATOM 0 HD23 LEU A 34 -12.554 6.125 -1.026 1.00 4.33 H new ATOM 528 N SER A 35 -10.138 3.687 -4.308 1.00 52.33 N ATOM 529 CA SER A 35 -9.256 2.970 -5.264 1.00 25.11 C ATOM 530 C SER A 35 -8.471 1.838 -4.560 1.00 74.14 C ATOM 531 O SER A 35 -8.195 1.930 -3.366 1.00 54.02 O ATOM 532 CB SER A 35 -8.262 3.960 -5.918 1.00 20.25 C ATOM 533 OG SER A 35 -7.328 3.298 -6.762 1.00 34.25 O ATOM 0 H SER A 35 -9.911 4.676 -4.202 1.00 52.33 H new ATOM 0 HA SER A 35 -9.888 2.526 -6.033 1.00 25.11 H new ATOM 0 HB2 SER A 35 -8.815 4.699 -6.498 1.00 20.25 H new ATOM 0 HB3 SER A 35 -7.726 4.503 -5.139 1.00 20.25 H new ATOM 0 HG SER A 35 -6.720 3.957 -7.157 1.00 34.25 H new ATOM 539 N VAL A 36 -8.119 0.778 -5.319 1.00 41.20 N ATOM 540 CA VAL A 36 -7.253 -0.331 -4.827 1.00 43.12 C ATOM 541 C VAL A 36 -5.928 0.227 -4.243 1.00 23.22 C ATOM 542 O VAL A 36 -5.455 -0.205 -3.192 1.00 44.31 O ATOM 543 CB VAL A 36 -6.918 -1.344 -5.989 1.00 74.41 C ATOM 544 CG1 VAL A 36 -6.093 -2.560 -5.482 1.00 51.22 C ATOM 545 CG2 VAL A 36 -8.203 -1.800 -6.726 1.00 32.14 C ATOM 0 H VAL A 36 -8.422 0.661 -6.286 1.00 41.20 H new ATOM 0 HA VAL A 36 -7.803 -0.854 -4.045 1.00 43.12 H new ATOM 0 HB VAL A 36 -6.293 -0.813 -6.707 1.00 74.41 H new ATOM 0 HG11 VAL A 36 -5.885 -3.231 -6.315 1.00 51.22 H new ATOM 0 HG12 VAL A 36 -5.153 -2.210 -5.055 1.00 51.22 H new ATOM 0 HG13 VAL A 36 -6.661 -3.093 -4.720 1.00 51.22 H new ATOM 0 HG21 VAL A 36 -7.938 -2.497 -7.521 1.00 32.14 H new ATOM 0 HG22 VAL A 36 -8.872 -2.291 -6.020 1.00 32.14 H new ATOM 0 HG23 VAL A 36 -8.703 -0.932 -7.156 1.00 32.14 H new ATOM 555 N GLU A 37 -5.376 1.220 -4.957 1.00 34.34 N ATOM 556 CA GLU A 37 -4.139 1.935 -4.578 1.00 24.23 C ATOM 557 C GLU A 37 -4.324 2.745 -3.268 1.00 13.22 C ATOM 558 O GLU A 37 -3.439 2.768 -2.413 1.00 34.35 O ATOM 559 CB GLU A 37 -3.731 2.878 -5.735 1.00 0.50 C ATOM 560 CG GLU A 37 -3.687 2.197 -7.123 1.00 41.32 C ATOM 561 CD GLU A 37 -3.312 3.154 -8.265 1.00 61.12 C ATOM 562 OE1 GLU A 37 -3.976 4.219 -8.399 1.00 71.30 O ATOM 563 OE2 GLU A 37 -2.353 2.862 -9.020 1.00 11.14 O ATOM 0 H GLU A 37 -5.781 1.558 -5.830 1.00 34.34 H new ATOM 0 HA GLU A 37 -3.354 1.201 -4.397 1.00 24.23 H new ATOM 0 HB2 GLU A 37 -4.432 3.711 -5.774 1.00 0.50 H new ATOM 0 HB3 GLU A 37 -2.749 3.298 -5.517 1.00 0.50 H new ATOM 0 HG2 GLU A 37 -2.967 1.379 -7.095 1.00 41.32 H new ATOM 0 HG3 GLU A 37 -4.662 1.757 -7.334 1.00 41.32 H new ATOM 570 N SER A 38 -5.498 3.396 -3.131 1.00 31.21 N ATOM 571 CA SER A 38 -5.849 4.225 -1.942 1.00 25.21 C ATOM 572 C SER A 38 -6.031 3.351 -0.675 1.00 3.25 C ATOM 573 O SER A 38 -5.583 3.713 0.421 1.00 65.44 O ATOM 574 CB SER A 38 -7.145 5.023 -2.222 1.00 52.14 C ATOM 575 OG SER A 38 -7.464 5.899 -1.158 1.00 42.12 O ATOM 0 H SER A 38 -6.234 3.367 -3.837 1.00 31.21 H new ATOM 0 HA SER A 38 -5.026 4.916 -1.758 1.00 25.21 H new ATOM 0 HB2 SER A 38 -7.027 5.596 -3.142 1.00 52.14 H new ATOM 0 HB3 SER A 38 -7.971 4.330 -2.382 1.00 52.14 H new ATOM 0 HG SER A 38 -8.312 5.624 -0.750 1.00 42.12 H new ATOM 581 N THR A 39 -6.692 2.196 -0.862 1.00 52.23 N ATOM 582 CA THR A 39 -6.938 1.198 0.202 1.00 10.41 C ATOM 583 C THR A 39 -5.611 0.562 0.685 1.00 3.04 C ATOM 584 O THR A 39 -5.336 0.522 1.887 1.00 73.23 O ATOM 585 CB THR A 39 -7.923 0.084 -0.310 1.00 14.23 C ATOM 586 OG1 THR A 39 -9.174 0.679 -0.703 1.00 32.03 O ATOM 587 CG2 THR A 39 -8.197 -1.014 0.739 1.00 2.20 C ATOM 0 H THR A 39 -7.077 1.922 -1.766 1.00 52.23 H new ATOM 0 HA THR A 39 -7.396 1.711 1.048 1.00 10.41 H new ATOM 0 HB THR A 39 -7.435 -0.392 -1.161 1.00 14.23 H new ATOM 0 HG1 THR A 39 -9.069 1.115 -1.574 1.00 32.03 H new ATOM 0 HG21 THR A 39 -8.884 -1.751 0.323 1.00 2.20 H new ATOM 0 HG22 THR A 39 -7.260 -1.502 1.008 1.00 2.20 H new ATOM 0 HG23 THR A 39 -8.641 -0.565 1.628 1.00 2.20 H new ATOM 595 N ALA A 40 -4.788 0.102 -0.280 1.00 20.54 N ATOM 596 CA ALA A 40 -3.471 -0.532 -0.009 1.00 23.41 C ATOM 597 C ALA A 40 -2.500 0.427 0.717 1.00 12.01 C ATOM 598 O ALA A 40 -1.817 0.033 1.663 1.00 1.52 O ATOM 599 CB ALA A 40 -2.849 -1.020 -1.326 1.00 32.45 C ATOM 0 H ALA A 40 -5.014 0.158 -1.273 1.00 20.54 H new ATOM 0 HA ALA A 40 -3.642 -1.380 0.654 1.00 23.41 H new ATOM 0 HB1 ALA A 40 -1.884 -1.484 -1.123 1.00 32.45 H new ATOM 0 HB2 ALA A 40 -3.511 -1.749 -1.793 1.00 32.45 H new ATOM 0 HB3 ALA A 40 -2.710 -0.173 -1.998 1.00 32.45 H new ATOM 605 N LEU A 41 -2.468 1.690 0.264 1.00 10.30 N ATOM 606 CA LEU A 41 -1.612 2.751 0.854 1.00 2.43 C ATOM 607 C LEU A 41 -1.946 2.940 2.365 1.00 3.40 C ATOM 608 O LEU A 41 -1.058 2.949 3.227 1.00 20.04 O ATOM 609 CB LEU A 41 -1.846 4.090 0.082 1.00 1.33 C ATOM 610 CG LEU A 41 -0.652 5.108 -0.041 1.00 64.53 C ATOM 611 CD1 LEU A 41 -1.182 6.542 -0.244 1.00 1.35 C ATOM 612 CD2 LEU A 41 0.349 5.032 1.135 1.00 62.34 C ATOM 0 H LEU A 41 -3.032 2.013 -0.522 1.00 10.30 H new ATOM 0 HA LEU A 41 -0.566 2.458 0.767 1.00 2.43 H new ATOM 0 HB2 LEU A 41 -2.171 3.838 -0.927 1.00 1.33 H new ATOM 0 HB3 LEU A 41 -2.675 4.609 0.563 1.00 1.33 H new ATOM 0 HG LEU A 41 -0.084 4.816 -0.924 1.00 64.53 H new ATOM 0 HD11 LEU A 41 -0.342 7.232 -0.327 1.00 1.35 H new ATOM 0 HD12 LEU A 41 -1.778 6.584 -1.156 1.00 1.35 H new ATOM 0 HD13 LEU A 41 -1.801 6.825 0.607 1.00 1.35 H new ATOM 0 HD21 LEU A 41 1.145 5.761 0.983 1.00 62.34 H new ATOM 0 HD22 LEU A 41 -0.169 5.250 2.069 1.00 62.34 H new ATOM 0 HD23 LEU A 41 0.778 4.031 1.183 1.00 62.34 H new ATOM 624 N ALA A 42 -3.253 3.070 2.641 1.00 75.40 N ATOM 625 CA ALA A 42 -3.794 3.260 4.001 1.00 13.51 C ATOM 626 C ALA A 42 -3.470 2.065 4.934 1.00 73.23 C ATOM 627 O ALA A 42 -3.305 2.240 6.145 1.00 34.20 O ATOM 628 CB ALA A 42 -5.300 3.483 3.907 1.00 72.11 C ATOM 0 H ALA A 42 -3.974 3.046 1.920 1.00 75.40 H new ATOM 0 HA ALA A 42 -3.316 4.134 4.443 1.00 13.51 H new ATOM 0 HB1 ALA A 42 -5.710 3.625 4.907 1.00 72.11 H new ATOM 0 HB2 ALA A 42 -5.500 4.369 3.304 1.00 72.11 H new ATOM 0 HB3 ALA A 42 -5.768 2.615 3.443 1.00 72.11 H new ATOM 634 N VAL A 43 -3.376 0.857 4.344 1.00 14.13 N ATOM 635 CA VAL A 43 -2.950 -0.375 5.064 1.00 20.54 C ATOM 636 C VAL A 43 -1.467 -0.267 5.516 1.00 33.20 C ATOM 637 O VAL A 43 -1.128 -0.635 6.646 1.00 23.22 O ATOM 638 CB VAL A 43 -3.166 -1.665 4.176 1.00 22.45 C ATOM 639 CG1 VAL A 43 -2.531 -2.931 4.807 1.00 72.41 C ATOM 640 CG2 VAL A 43 -4.672 -1.898 3.884 1.00 52.43 C ATOM 0 H VAL A 43 -3.591 0.701 3.359 1.00 14.13 H new ATOM 0 HA VAL A 43 -3.575 -0.470 5.952 1.00 20.54 H new ATOM 0 HB VAL A 43 -2.653 -1.483 3.232 1.00 22.45 H new ATOM 0 HG11 VAL A 43 -2.708 -3.789 4.158 1.00 72.41 H new ATOM 0 HG12 VAL A 43 -1.458 -2.780 4.925 1.00 72.41 H new ATOM 0 HG13 VAL A 43 -2.980 -3.116 5.783 1.00 72.41 H new ATOM 0 HG21 VAL A 43 -4.790 -2.792 3.271 1.00 52.43 H new ATOM 0 HG22 VAL A 43 -5.209 -2.029 4.824 1.00 52.43 H new ATOM 0 HG23 VAL A 43 -5.077 -1.037 3.351 1.00 52.43 H new ATOM 650 N GLY A 44 -0.604 0.273 4.631 1.00 3.43 N ATOM 651 CA GLY A 44 0.816 0.512 4.955 1.00 33.52 C ATOM 652 C GLY A 44 1.026 1.544 6.081 1.00 34.21 C ATOM 653 O GLY A 44 2.023 1.486 6.813 1.00 12.44 O ATOM 0 H GLY A 44 -0.867 0.552 3.686 1.00 3.43 H new ATOM 0 HA2 GLY A 44 1.277 -0.431 5.247 1.00 33.52 H new ATOM 0 HA3 GLY A 44 1.332 0.855 4.058 1.00 33.52 H new ATOM 657 N TRP A 45 0.075 2.490 6.207 1.00 72.02 N ATOM 658 CA TRP A 45 0.050 3.487 7.303 1.00 3.21 C ATOM 659 C TRP A 45 -0.394 2.845 8.646 1.00 53.43 C ATOM 660 O TRP A 45 0.181 3.125 9.706 1.00 65.53 O ATOM 661 CB TRP A 45 -0.892 4.655 6.928 1.00 0.24 C ATOM 662 CG TRP A 45 -0.938 5.773 7.952 1.00 42.44 C ATOM 663 CD1 TRP A 45 -1.973 6.094 8.794 1.00 15.20 C ATOM 664 CD2 TRP A 45 0.115 6.711 8.241 1.00 33.53 C ATOM 665 NE1 TRP A 45 -1.630 7.171 9.569 1.00 62.44 N ATOM 666 CE2 TRP A 45 -0.358 7.568 9.250 1.00 25.12 C ATOM 667 CE3 TRP A 45 1.412 6.908 7.741 1.00 14.13 C ATOM 668 CZ2 TRP A 45 0.409 8.609 9.761 1.00 30.04 C ATOM 669 CZ3 TRP A 45 2.175 7.942 8.252 1.00 61.11 C ATOM 670 CH2 TRP A 45 1.672 8.782 9.254 1.00 44.24 C ATOM 0 H TRP A 45 -0.701 2.587 5.552 1.00 72.02 H new ATOM 0 HA TRP A 45 1.062 3.868 7.438 1.00 3.21 H new ATOM 0 HB2 TRP A 45 -0.576 5.068 5.970 1.00 0.24 H new ATOM 0 HB3 TRP A 45 -1.900 4.263 6.789 1.00 0.24 H new ATOM 0 HD1 TRP A 45 -2.919 5.574 8.839 1.00 15.20 H new ATOM 0 HE1 TRP A 45 -2.227 7.608 10.272 1.00 62.44 H new ATOM 0 HE3 TRP A 45 1.807 6.263 6.970 1.00 14.13 H new ATOM 0 HZ2 TRP A 45 0.023 9.260 10.532 1.00 30.04 H new ATOM 0 HZ3 TRP A 45 3.173 8.104 7.873 1.00 61.11 H new ATOM 0 HH2 TRP A 45 2.291 9.581 9.635 1.00 44.24 H new ATOM 681 N LEU A 46 -1.441 1.993 8.585 1.00 34.04 N ATOM 682 CA LEU A 46 -1.931 1.224 9.761 1.00 12.32 C ATOM 683 C LEU A 46 -0.855 0.254 10.295 1.00 64.12 C ATOM 684 O LEU A 46 -0.778 0.000 11.495 1.00 43.13 O ATOM 685 CB LEU A 46 -3.230 0.458 9.397 1.00 2.02 C ATOM 686 CG LEU A 46 -4.484 1.342 9.115 1.00 61.14 C ATOM 687 CD1 LEU A 46 -5.660 0.499 8.591 1.00 52.44 C ATOM 688 CD2 LEU A 46 -4.894 2.146 10.366 1.00 14.02 C ATOM 0 H LEU A 46 -1.969 1.817 7.730 1.00 34.04 H new ATOM 0 HA LEU A 46 -2.153 1.934 10.558 1.00 12.32 H new ATOM 0 HB2 LEU A 46 -3.034 -0.153 8.516 1.00 2.02 H new ATOM 0 HB3 LEU A 46 -3.467 -0.225 10.212 1.00 2.02 H new ATOM 0 HG LEU A 46 -4.213 2.053 8.335 1.00 61.14 H new ATOM 0 HD11 LEU A 46 -6.517 1.146 8.405 1.00 52.44 H new ATOM 0 HD12 LEU A 46 -5.369 0.006 7.663 1.00 52.44 H new ATOM 0 HD13 LEU A 46 -5.928 -0.253 9.333 1.00 52.44 H new ATOM 0 HD21 LEU A 46 -5.771 2.752 10.138 1.00 14.02 H new ATOM 0 HD22 LEU A 46 -5.129 1.459 11.179 1.00 14.02 H new ATOM 0 HD23 LEU A 46 -4.072 2.796 10.667 1.00 14.02 H new ATOM 700 N ALA A 47 -0.032 -0.271 9.371 1.00 32.31 N ATOM 701 CA ALA A 47 1.137 -1.127 9.681 1.00 54.43 C ATOM 702 C ALA A 47 2.175 -0.441 10.619 1.00 2.31 C ATOM 703 O ALA A 47 2.904 -1.136 11.339 1.00 64.51 O ATOM 704 CB ALA A 47 1.794 -1.588 8.369 1.00 51.30 C ATOM 0 H ALA A 47 -0.158 -0.113 8.371 1.00 32.31 H new ATOM 0 HA ALA A 47 0.771 -1.991 10.235 1.00 54.43 H new ATOM 0 HB1 ALA A 47 2.654 -2.218 8.595 1.00 51.30 H new ATOM 0 HB2 ALA A 47 1.073 -2.156 7.781 1.00 51.30 H new ATOM 0 HB3 ALA A 47 2.121 -0.717 7.800 1.00 51.30 H new ATOM 710 N ARG A 48 2.219 0.915 10.626 1.00 54.20 N ATOM 711 CA ARG A 48 3.144 1.691 11.490 1.00 75.30 C ATOM 712 C ARG A 48 2.706 1.543 12.971 1.00 52.14 C ATOM 713 O ARG A 48 3.532 1.388 13.874 1.00 55.02 O ATOM 714 CB ARG A 48 3.150 3.189 11.069 1.00 62.44 C ATOM 715 CG ARG A 48 4.238 4.060 11.753 1.00 13.31 C ATOM 716 CD ARG A 48 4.061 5.574 11.484 1.00 52.41 C ATOM 717 NE ARG A 48 2.794 6.076 12.034 1.00 73.41 N ATOM 718 CZ ARG A 48 2.521 7.317 12.367 1.00 40.01 C ATOM 719 NH1 ARG A 48 3.353 8.282 12.171 1.00 44.10 N ATOM 720 NH2 ARG A 48 1.372 7.578 12.886 1.00 51.35 N ATOM 0 H ARG A 48 1.621 1.496 10.039 1.00 54.20 H new ATOM 0 HA ARG A 48 4.156 1.304 11.375 1.00 75.30 H new ATOM 0 HB2 ARG A 48 3.286 3.246 9.989 1.00 62.44 H new ATOM 0 HB3 ARG A 48 2.172 3.617 11.290 1.00 62.44 H new ATOM 0 HG2 ARG A 48 4.214 3.883 12.828 1.00 13.31 H new ATOM 0 HG3 ARG A 48 5.221 3.747 11.400 1.00 13.31 H new ATOM 0 HD2 ARG A 48 4.893 6.122 11.926 1.00 52.41 H new ATOM 0 HD3 ARG A 48 4.091 5.759 10.410 1.00 52.41 H new ATOM 0 HE ARG A 48 2.051 5.391 12.171 1.00 73.41 H new ATOM 0 HH11 ARG A 48 4.260 8.095 11.744 1.00 44.10 H new ATOM 0 HH12 ARG A 48 3.104 9.233 12.443 1.00 44.10 H new ATOM 0 HH21 ARG A 48 0.696 6.828 13.031 1.00 51.35 H new ATOM 0 HH22 ARG A 48 1.138 8.534 13.152 1.00 51.35 H new ATOM 734 N GLU A 49 1.374 1.571 13.180 1.00 31.25 N ATOM 735 CA GLU A 49 0.728 1.322 14.495 1.00 64.15 C ATOM 736 C GLU A 49 0.340 -0.170 14.671 1.00 64.12 C ATOM 737 O GLU A 49 -0.355 -0.520 15.633 1.00 13.12 O ATOM 738 CB GLU A 49 -0.534 2.232 14.644 1.00 61.31 C ATOM 739 CG GLU A 49 -0.257 3.702 15.017 1.00 52.33 C ATOM 740 CD GLU A 49 0.634 4.454 14.024 1.00 30.30 C ATOM 741 OE1 GLU A 49 0.128 4.897 12.967 1.00 41.44 O ATOM 742 OE2 GLU A 49 1.846 4.591 14.288 1.00 35.44 O ATOM 0 H GLU A 49 0.705 1.769 12.436 1.00 31.25 H new ATOM 0 HA GLU A 49 1.448 1.567 15.276 1.00 64.15 H new ATOM 0 HB2 GLU A 49 -1.086 2.212 13.705 1.00 61.31 H new ATOM 0 HB3 GLU A 49 -1.184 1.799 15.405 1.00 61.31 H new ATOM 0 HG2 GLU A 49 -1.208 4.227 15.102 1.00 52.33 H new ATOM 0 HG3 GLU A 49 0.212 3.732 16.001 1.00 52.33 H new ATOM 749 N ASN A 50 0.778 -1.025 13.717 1.00 72.04 N ATOM 750 CA ASN A 50 0.541 -2.495 13.711 1.00 43.11 C ATOM 751 C ASN A 50 -0.967 -2.879 13.774 1.00 23.33 C ATOM 752 O ASN A 50 -1.308 -3.989 14.156 1.00 23.51 O ATOM 753 CB ASN A 50 1.352 -3.188 14.847 1.00 20.40 C ATOM 754 CG ASN A 50 2.860 -2.963 14.714 1.00 74.25 C ATOM 755 OD1 ASN A 50 3.544 -3.702 14.011 1.00 60.12 O ATOM 756 ND2 ASN A 50 3.386 -1.949 15.381 1.00 4.34 N ATOM 0 H ASN A 50 1.318 -0.709 12.911 1.00 72.04 H new ATOM 0 HA ASN A 50 0.900 -2.863 12.750 1.00 43.11 H new ATOM 0 HB2 ASN A 50 1.015 -2.809 15.812 1.00 20.40 H new ATOM 0 HB3 ASN A 50 1.145 -4.258 14.835 1.00 20.40 H new ATOM 0 HD21 ASN A 50 4.387 -1.763 15.320 1.00 4.34 H new ATOM 0 HD22 ASN A 50 2.791 -1.353 15.957 1.00 4.34 H new ATOM 763 N LYS A 51 -1.850 -1.959 13.336 1.00 54.35 N ATOM 764 CA LYS A 51 -3.324 -2.139 13.384 1.00 51.43 C ATOM 765 C LYS A 51 -3.849 -3.134 12.317 1.00 34.15 C ATOM 766 O LYS A 51 -5.021 -3.515 12.347 1.00 54.44 O ATOM 767 CB LYS A 51 -4.021 -0.765 13.220 1.00 34.24 C ATOM 768 CG LYS A 51 -3.654 0.258 14.315 1.00 34.03 C ATOM 769 CD LYS A 51 -4.347 1.627 14.136 1.00 71.12 C ATOM 770 CE LYS A 51 -5.883 1.547 14.222 1.00 70.54 C ATOM 771 NZ LYS A 51 -6.511 2.887 14.141 1.00 10.13 N ATOM 0 H LYS A 51 -1.564 -1.065 12.937 1.00 54.35 H new ATOM 0 HA LYS A 51 -3.564 -2.570 14.356 1.00 51.43 H new ATOM 0 HB2 LYS A 51 -3.759 -0.350 12.247 1.00 34.24 H new ATOM 0 HB3 LYS A 51 -5.101 -0.914 13.223 1.00 34.24 H new ATOM 0 HG2 LYS A 51 -3.923 -0.152 15.289 1.00 34.03 H new ATOM 0 HG3 LYS A 51 -2.574 0.404 14.318 1.00 34.03 H new ATOM 0 HD2 LYS A 51 -3.982 2.314 14.900 1.00 71.12 H new ATOM 0 HD3 LYS A 51 -4.065 2.046 13.170 1.00 71.12 H new ATOM 0 HE2 LYS A 51 -6.260 0.920 13.414 1.00 70.54 H new ATOM 0 HE3 LYS A 51 -6.170 1.067 15.158 1.00 70.54 H new ATOM 0 HZ1 LYS A 51 -7.545 2.790 14.203 1.00 10.13 H new ATOM 0 HZ2 LYS A 51 -6.171 3.478 14.927 1.00 10.13 H new ATOM 0 HZ3 LYS A 51 -6.258 3.335 13.237 1.00 10.13 H new ATOM 785 N VAL A 52 -2.985 -3.545 11.379 1.00 12.33 N ATOM 786 CA VAL A 52 -3.335 -4.526 10.325 1.00 1.24 C ATOM 787 C VAL A 52 -2.395 -5.750 10.357 1.00 53.01 C ATOM 788 O VAL A 52 -1.193 -5.628 10.614 1.00 31.30 O ATOM 789 CB VAL A 52 -3.309 -3.876 8.886 1.00 33.12 C ATOM 790 CG1 VAL A 52 -4.526 -2.948 8.672 1.00 42.01 C ATOM 791 CG2 VAL A 52 -1.986 -3.113 8.644 1.00 64.30 C ATOM 0 H VAL A 52 -2.023 -3.211 11.323 1.00 12.33 H new ATOM 0 HA VAL A 52 -4.352 -4.857 10.536 1.00 1.24 H new ATOM 0 HB VAL A 52 -3.370 -4.684 8.157 1.00 33.12 H new ATOM 0 HG11 VAL A 52 -4.482 -2.514 7.673 1.00 42.01 H new ATOM 0 HG12 VAL A 52 -5.446 -3.524 8.777 1.00 42.01 H new ATOM 0 HG13 VAL A 52 -4.510 -2.150 9.415 1.00 42.01 H new ATOM 0 HG21 VAL A 52 -1.996 -2.676 7.646 1.00 64.30 H new ATOM 0 HG22 VAL A 52 -1.882 -2.321 9.386 1.00 64.30 H new ATOM 0 HG23 VAL A 52 -1.147 -3.803 8.730 1.00 64.30 H new ATOM 801 N VAL A 53 -2.976 -6.932 10.100 1.00 74.00 N ATOM 802 CA VAL A 53 -2.238 -8.196 9.934 1.00 11.54 C ATOM 803 C VAL A 53 -2.297 -8.606 8.441 1.00 25.15 C ATOM 804 O VAL A 53 -3.362 -8.969 7.941 1.00 23.25 O ATOM 805 CB VAL A 53 -2.848 -9.342 10.837 1.00 23.03 C ATOM 806 CG1 VAL A 53 -2.046 -10.668 10.709 1.00 2.22 C ATOM 807 CG2 VAL A 53 -2.956 -8.895 12.320 1.00 54.15 C ATOM 0 H VAL A 53 -3.985 -7.039 10.000 1.00 74.00 H new ATOM 0 HA VAL A 53 -1.204 -8.049 10.247 1.00 11.54 H new ATOM 0 HB VAL A 53 -3.856 -9.536 10.471 1.00 23.03 H new ATOM 0 HG11 VAL A 53 -2.498 -11.429 11.345 1.00 2.22 H new ATOM 0 HG12 VAL A 53 -2.063 -11.005 9.672 1.00 2.22 H new ATOM 0 HG13 VAL A 53 -1.015 -10.501 11.020 1.00 2.22 H new ATOM 0 HG21 VAL A 53 -3.379 -9.705 12.914 1.00 54.15 H new ATOM 0 HG22 VAL A 53 -1.964 -8.647 12.698 1.00 54.15 H new ATOM 0 HG23 VAL A 53 -3.601 -8.019 12.390 1.00 54.15 H new ATOM 817 N ILE A 54 -1.168 -8.482 7.718 1.00 72.34 N ATOM 818 CA ILE A 54 -1.082 -8.882 6.291 1.00 12.14 C ATOM 819 C ILE A 54 -0.659 -10.363 6.199 1.00 54.43 C ATOM 820 O ILE A 54 0.383 -10.743 6.733 1.00 30.53 O ATOM 821 CB ILE A 54 -0.078 -7.983 5.443 1.00 35.43 C ATOM 822 CG1 ILE A 54 -0.548 -6.484 5.369 1.00 24.30 C ATOM 823 CG2 ILE A 54 0.126 -8.552 4.002 1.00 20.30 C ATOM 824 CD1 ILE A 54 -0.417 -5.688 6.655 1.00 63.33 C ATOM 0 H ILE A 54 -0.298 -8.107 8.096 1.00 72.34 H new ATOM 0 HA ILE A 54 -2.072 -8.735 5.859 1.00 12.14 H new ATOM 0 HB ILE A 54 0.878 -8.012 5.966 1.00 35.43 H new ATOM 0 HG12 ILE A 54 0.027 -5.980 4.592 1.00 24.30 H new ATOM 0 HG13 ILE A 54 -1.592 -6.465 5.056 1.00 24.30 H new ATOM 0 HG21 ILE A 54 0.817 -7.913 3.453 1.00 20.30 H new ATOM 0 HG22 ILE A 54 0.535 -9.560 4.064 1.00 20.30 H new ATOM 0 HG23 ILE A 54 -0.832 -8.581 3.483 1.00 20.30 H new ATOM 0 HD11 ILE A 54 -0.769 -4.670 6.490 1.00 63.33 H new ATOM 0 HD12 ILE A 54 -1.016 -6.157 7.436 1.00 63.33 H new ATOM 0 HD13 ILE A 54 0.628 -5.665 6.964 1.00 63.33 H new ATOM 836 N GLU A 55 -1.489 -11.181 5.538 1.00 52.10 N ATOM 837 CA GLU A 55 -1.194 -12.607 5.255 1.00 11.10 C ATOM 838 C GLU A 55 -1.090 -12.829 3.733 1.00 32.04 C ATOM 839 O GLU A 55 -1.742 -12.140 2.956 1.00 73.11 O ATOM 840 CB GLU A 55 -2.300 -13.532 5.879 1.00 71.12 C ATOM 841 CG GLU A 55 -1.834 -14.412 7.070 1.00 25.44 C ATOM 842 CD GLU A 55 -0.910 -15.598 6.699 1.00 53.42 C ATOM 843 OE1 GLU A 55 -0.575 -15.801 5.503 1.00 22.43 O ATOM 844 OE2 GLU A 55 -0.543 -16.366 7.605 1.00 30.30 O ATOM 0 H GLU A 55 -2.394 -10.877 5.178 1.00 52.10 H new ATOM 0 HA GLU A 55 -0.239 -12.868 5.711 1.00 11.10 H new ATOM 0 HB2 GLU A 55 -3.128 -12.906 6.213 1.00 71.12 H new ATOM 0 HB3 GLU A 55 -2.689 -14.184 5.097 1.00 71.12 H new ATOM 0 HG2 GLU A 55 -1.312 -13.777 7.786 1.00 25.44 H new ATOM 0 HG3 GLU A 55 -2.716 -14.805 7.576 1.00 25.44 H new ATOM 851 N ARG A 56 -0.243 -13.783 3.310 1.00 25.54 N ATOM 852 CA ARG A 56 -0.063 -14.118 1.877 1.00 11.44 C ATOM 853 C ARG A 56 -0.448 -15.584 1.596 1.00 55.35 C ATOM 854 O ARG A 56 0.198 -16.505 2.101 1.00 14.50 O ATOM 855 CB ARG A 56 1.396 -13.843 1.444 1.00 33.12 C ATOM 856 CG ARG A 56 1.858 -12.387 1.668 1.00 11.22 C ATOM 857 CD ARG A 56 3.239 -12.109 1.067 1.00 55.34 C ATOM 858 NE ARG A 56 3.228 -12.233 -0.401 1.00 52.01 N ATOM 859 CZ ARG A 56 3.376 -11.240 -1.252 1.00 62.13 C ATOM 860 NH1 ARG A 56 3.544 -10.019 -0.844 1.00 54.54 N ATOM 861 NH2 ARG A 56 3.345 -11.477 -2.511 1.00 15.35 N ATOM 0 H ARG A 56 0.333 -14.341 3.940 1.00 25.54 H new ATOM 0 HA ARG A 56 -0.727 -13.483 1.291 1.00 11.44 H new ATOM 0 HB2 ARG A 56 2.059 -14.511 1.994 1.00 33.12 H new ATOM 0 HB3 ARG A 56 1.502 -14.088 0.387 1.00 33.12 H new ATOM 0 HG2 ARG A 56 1.130 -11.707 1.226 1.00 11.22 H new ATOM 0 HG3 ARG A 56 1.882 -12.178 2.737 1.00 11.22 H new ATOM 0 HD2 ARG A 56 3.562 -11.106 1.345 1.00 55.34 H new ATOM 0 HD3 ARG A 56 3.965 -12.805 1.486 1.00 55.34 H new ATOM 0 HE ARG A 56 3.095 -13.166 -0.790 1.00 52.01 H new ATOM 0 HH11 ARG A 56 3.563 -9.813 0.155 1.00 54.54 H new ATOM 0 HH12 ARG A 56 3.657 -9.266 -1.522 1.00 54.54 H new ATOM 0 HH21 ARG A 56 3.206 -12.430 -2.847 1.00 15.35 H new ATOM 0 HH22 ARG A 56 3.459 -10.713 -3.177 1.00 15.35 H new ATOM 875 N LYS A 57 -1.514 -15.786 0.800 1.00 62.12 N ATOM 876 CA LYS A 57 -1.988 -17.124 0.367 1.00 53.23 C ATOM 877 C LYS A 57 -1.815 -17.271 -1.166 1.00 74.45 C ATOM 878 O LYS A 57 -2.524 -16.613 -1.924 1.00 63.44 O ATOM 879 CB LYS A 57 -3.484 -17.337 0.771 1.00 30.14 C ATOM 880 CG LYS A 57 -3.737 -17.660 2.269 1.00 14.13 C ATOM 881 CD LYS A 57 -3.600 -16.442 3.216 1.00 73.44 C ATOM 882 CE LYS A 57 -3.800 -16.824 4.693 1.00 65.11 C ATOM 883 NZ LYS A 57 -2.749 -17.767 5.165 1.00 13.54 N ATOM 0 H LYS A 57 -2.080 -15.021 0.433 1.00 62.12 H new ATOM 0 HA LYS A 57 -1.390 -17.887 0.866 1.00 53.23 H new ATOM 0 HB2 LYS A 57 -4.043 -16.437 0.513 1.00 30.14 H new ATOM 0 HB3 LYS A 57 -3.892 -18.149 0.169 1.00 30.14 H new ATOM 0 HG2 LYS A 57 -4.739 -18.077 2.375 1.00 14.13 H new ATOM 0 HG3 LYS A 57 -3.036 -18.432 2.586 1.00 14.13 H new ATOM 0 HD2 LYS A 57 -2.614 -15.995 3.089 1.00 73.44 H new ATOM 0 HD3 LYS A 57 -4.332 -15.684 2.937 1.00 73.44 H new ATOM 0 HE2 LYS A 57 -3.784 -15.924 5.307 1.00 65.11 H new ATOM 0 HE3 LYS A 57 -4.782 -17.280 4.821 1.00 65.11 H new ATOM 0 HZ1 LYS A 57 -2.845 -17.909 6.191 1.00 13.54 H new ATOM 0 HZ2 LYS A 57 -2.857 -18.679 4.677 1.00 13.54 H new ATOM 0 HZ3 LYS A 57 -1.810 -17.372 4.957 1.00 13.54 H new ATOM 897 N ASN A 58 -0.863 -18.135 -1.598 1.00 13.50 N ATOM 898 CA ASN A 58 -0.472 -18.330 -3.032 1.00 24.50 C ATOM 899 C ASN A 58 0.026 -17.017 -3.711 1.00 2.32 C ATOM 900 O ASN A 58 -0.075 -16.862 -4.934 1.00 41.51 O ATOM 901 CB ASN A 58 -1.651 -18.949 -3.844 1.00 64.13 C ATOM 902 CG ASN A 58 -2.057 -20.344 -3.366 1.00 41.15 C ATOM 903 OD1 ASN A 58 -1.220 -21.145 -2.956 1.00 30.23 O ATOM 904 ND2 ASN A 58 -3.340 -20.632 -3.390 1.00 15.51 N ATOM 0 H ASN A 58 -0.334 -18.727 -0.958 1.00 13.50 H new ATOM 0 HA ASN A 58 0.369 -19.023 -3.033 1.00 24.50 H new ATOM 0 HB2 ASN A 58 -2.514 -18.286 -3.779 1.00 64.13 H new ATOM 0 HB3 ASN A 58 -1.369 -19.002 -4.895 1.00 64.13 H new ATOM 0 HD21 ASN A 58 -3.665 -21.542 -3.062 1.00 15.51 H new ATOM 0 HD22 ASN A 58 -4.010 -19.946 -3.736 1.00 15.51 H new ATOM 911 N GLY A 59 0.629 -16.112 -2.916 1.00 51.24 N ATOM 912 CA GLY A 59 1.059 -14.787 -3.418 1.00 33.42 C ATOM 913 C GLY A 59 -0.029 -13.701 -3.327 1.00 2.03 C ATOM 914 O GLY A 59 0.272 -12.509 -3.467 1.00 24.35 O ATOM 0 H GLY A 59 0.830 -16.270 -1.929 1.00 51.24 H new ATOM 0 HA2 GLY A 59 1.932 -14.461 -2.852 1.00 33.42 H new ATOM 0 HA3 GLY A 59 1.372 -14.887 -4.457 1.00 33.42 H new ATOM 918 N LEU A 60 -1.291 -14.115 -3.079 1.00 75.12 N ATOM 919 CA LEU A 60 -2.453 -13.194 -2.971 1.00 41.42 C ATOM 920 C LEU A 60 -2.441 -12.456 -1.611 1.00 10.42 C ATOM 921 O LEU A 60 -2.255 -13.079 -0.556 1.00 4.11 O ATOM 922 CB LEU A 60 -3.806 -13.964 -3.159 1.00 43.33 C ATOM 923 CG LEU A 60 -4.149 -14.475 -4.601 1.00 5.40 C ATOM 924 CD1 LEU A 60 -4.104 -13.331 -5.628 1.00 10.41 C ATOM 925 CD2 LEU A 60 -3.259 -15.655 -5.033 1.00 24.34 C ATOM 0 H LEU A 60 -1.537 -15.096 -2.947 1.00 75.12 H new ATOM 0 HA LEU A 60 -2.368 -12.457 -3.769 1.00 41.42 H new ATOM 0 HB2 LEU A 60 -3.801 -14.824 -2.489 1.00 43.33 H new ATOM 0 HB3 LEU A 60 -4.614 -13.310 -2.832 1.00 43.33 H new ATOM 0 HG LEU A 60 -5.172 -14.851 -4.566 1.00 5.40 H new ATOM 0 HD11 LEU A 60 -4.347 -13.720 -6.617 1.00 10.41 H new ATOM 0 HD12 LEU A 60 -4.829 -12.565 -5.352 1.00 10.41 H new ATOM 0 HD13 LEU A 60 -3.105 -12.896 -5.644 1.00 10.41 H new ATOM 0 HD21 LEU A 60 -3.537 -15.971 -6.038 1.00 24.34 H new ATOM 0 HD22 LEU A 60 -2.214 -15.344 -5.026 1.00 24.34 H new ATOM 0 HD23 LEU A 60 -3.395 -16.486 -4.341 1.00 24.34 H new ATOM 937 N ILE A 61 -2.646 -11.125 -1.650 1.00 53.34 N ATOM 938 CA ILE A 61 -2.525 -10.260 -0.461 1.00 74.21 C ATOM 939 C ILE A 61 -3.871 -10.196 0.311 1.00 44.41 C ATOM 940 O ILE A 61 -4.869 -9.647 -0.174 1.00 54.53 O ATOM 941 CB ILE A 61 -2.012 -8.794 -0.807 1.00 4.11 C ATOM 942 CG1 ILE A 61 -0.595 -8.807 -1.508 1.00 21.42 C ATOM 943 CG2 ILE A 61 -1.963 -7.910 0.474 1.00 53.21 C ATOM 944 CD1 ILE A 61 -0.557 -9.308 -2.948 1.00 24.23 C ATOM 0 H ILE A 61 -2.898 -10.622 -2.501 1.00 53.34 H new ATOM 0 HA ILE A 61 -1.767 -10.715 0.176 1.00 74.21 H new ATOM 0 HB ILE A 61 -2.726 -8.367 -1.511 1.00 4.11 H new ATOM 0 HG12 ILE A 61 -0.194 -7.794 -1.488 1.00 21.42 H new ATOM 0 HG13 ILE A 61 0.075 -9.427 -0.913 1.00 21.42 H new ATOM 0 HG21 ILE A 61 -1.610 -6.912 0.214 1.00 53.21 H new ATOM 0 HG22 ILE A 61 -2.961 -7.840 0.906 1.00 53.21 H new ATOM 0 HG23 ILE A 61 -1.284 -8.358 1.199 1.00 53.21 H new ATOM 0 HD11 ILE A 61 0.467 -9.270 -3.320 1.00 24.23 H new ATOM 0 HD12 ILE A 61 -0.919 -10.336 -2.985 1.00 24.23 H new ATOM 0 HD13 ILE A 61 -1.192 -8.677 -3.570 1.00 24.23 H new ATOM 956 N GLU A 62 -3.863 -10.797 1.507 1.00 61.15 N ATOM 957 CA GLU A 62 -4.947 -10.716 2.503 1.00 40.53 C ATOM 958 C GLU A 62 -4.590 -9.643 3.540 1.00 12.23 C ATOM 959 O GLU A 62 -3.438 -9.554 3.978 1.00 25.21 O ATOM 960 CB GLU A 62 -5.106 -12.086 3.226 1.00 73.13 C ATOM 961 CG GLU A 62 -5.746 -13.202 2.382 1.00 72.14 C ATOM 962 CD GLU A 62 -7.270 -13.042 2.210 1.00 2.33 C ATOM 963 OE1 GLU A 62 -8.022 -13.413 3.144 1.00 4.05 O ATOM 964 OE2 GLU A 62 -7.724 -12.569 1.144 1.00 4.31 O ATOM 0 H GLU A 62 -3.080 -11.371 1.821 1.00 61.15 H new ATOM 0 HA GLU A 62 -5.881 -10.462 2.002 1.00 40.53 H new ATOM 0 HB2 GLU A 62 -4.123 -12.421 3.556 1.00 73.13 H new ATOM 0 HB3 GLU A 62 -5.710 -11.938 4.122 1.00 73.13 H new ATOM 0 HG2 GLU A 62 -5.277 -13.218 1.398 1.00 72.14 H new ATOM 0 HG3 GLU A 62 -5.540 -14.165 2.850 1.00 72.14 H new ATOM 971 N ILE A 63 -5.569 -8.820 3.931 1.00 64.50 N ATOM 972 CA ILE A 63 -5.411 -7.869 5.050 1.00 5.53 C ATOM 973 C ILE A 63 -6.499 -8.124 6.114 1.00 41.53 C ATOM 974 O ILE A 63 -7.662 -8.425 5.800 1.00 23.13 O ATOM 975 CB ILE A 63 -5.393 -6.346 4.611 1.00 60.41 C ATOM 976 CG1 ILE A 63 -6.742 -5.867 3.984 1.00 61.25 C ATOM 977 CG2 ILE A 63 -4.211 -6.059 3.651 1.00 15.12 C ATOM 978 CD1 ILE A 63 -7.058 -6.400 2.599 1.00 75.33 C ATOM 0 H ILE A 63 -6.488 -8.790 3.489 1.00 64.50 H new ATOM 0 HA ILE A 63 -4.425 -8.056 5.475 1.00 5.53 H new ATOM 0 HB ILE A 63 -5.256 -5.769 5.526 1.00 60.41 H new ATOM 0 HG12 ILE A 63 -7.553 -6.151 4.655 1.00 61.25 H new ATOM 0 HG13 ILE A 63 -6.732 -4.778 3.939 1.00 61.25 H new ATOM 0 HG21 ILE A 63 -4.222 -5.007 3.365 1.00 15.12 H new ATOM 0 HG22 ILE A 63 -3.271 -6.289 4.152 1.00 15.12 H new ATOM 0 HG23 ILE A 63 -4.308 -6.678 2.759 1.00 15.12 H new ATOM 0 HD11 ILE A 63 -8.016 -6.001 2.266 1.00 75.33 H new ATOM 0 HD12 ILE A 63 -6.276 -6.094 1.904 1.00 75.33 H new ATOM 0 HD13 ILE A 63 -7.109 -7.488 2.631 1.00 75.33 H new ATOM 990 N TYR A 64 -6.080 -8.048 7.375 1.00 44.31 N ATOM 991 CA TYR A 64 -6.934 -8.277 8.557 1.00 73.44 C ATOM 992 C TYR A 64 -6.778 -7.098 9.533 1.00 73.23 C ATOM 993 O TYR A 64 -5.865 -6.280 9.387 1.00 43.12 O ATOM 994 CB TYR A 64 -6.528 -9.595 9.283 1.00 22.33 C ATOM 995 CG TYR A 64 -6.598 -10.881 8.435 1.00 64.23 C ATOM 996 CD1 TYR A 64 -5.555 -11.247 7.583 1.00 71.42 C ATOM 997 CD2 TYR A 64 -7.702 -11.734 8.496 1.00 53.11 C ATOM 998 CE1 TYR A 64 -5.617 -12.396 6.825 1.00 0.53 C ATOM 999 CE2 TYR A 64 -7.761 -12.888 7.743 1.00 74.41 C ATOM 1000 CZ TYR A 64 -6.719 -13.216 6.906 1.00 45.52 C ATOM 1001 OH TYR A 64 -6.789 -14.356 6.131 1.00 2.54 O ATOM 0 H TYR A 64 -5.116 -7.821 7.618 1.00 44.31 H new ATOM 0 HA TYR A 64 -7.970 -8.360 8.227 1.00 73.44 H new ATOM 0 HB2 TYR A 64 -5.509 -9.483 9.655 1.00 22.33 H new ATOM 0 HB3 TYR A 64 -7.173 -9.721 10.153 1.00 22.33 H new ATOM 0 HD1 TYR A 64 -4.681 -10.616 7.516 1.00 71.42 H new ATOM 0 HD2 TYR A 64 -8.527 -11.485 9.147 1.00 53.11 H new ATOM 0 HE1 TYR A 64 -4.800 -12.653 6.167 1.00 0.53 H new ATOM 0 HE2 TYR A 64 -8.624 -13.534 7.810 1.00 74.41 H new ATOM 0 HH TYR A 64 -7.115 -14.124 5.237 1.00 2.54 H new ATOM 1011 N ASN A 65 -7.673 -7.012 10.522 1.00 55.22 N ATOM 1012 CA ASN A 65 -7.498 -6.106 11.679 1.00 3.43 C ATOM 1013 C ASN A 65 -6.639 -6.804 12.749 1.00 51.53 C ATOM 1014 O ASN A 65 -6.628 -8.041 12.836 1.00 43.13 O ATOM 1015 CB ASN A 65 -8.871 -5.678 12.272 1.00 53.51 C ATOM 1016 CG ASN A 65 -9.787 -6.850 12.669 1.00 75.13 C ATOM 1017 OD1 ASN A 65 -9.753 -7.928 12.083 1.00 10.02 O ATOM 1018 ND2 ASN A 65 -10.616 -6.646 13.669 1.00 21.33 N ATOM 0 H ASN A 65 -8.533 -7.559 10.551 1.00 55.22 H new ATOM 0 HA ASN A 65 -6.991 -5.202 11.342 1.00 3.43 H new ATOM 0 HB2 ASN A 65 -8.696 -5.057 13.150 1.00 53.51 H new ATOM 0 HB3 ASN A 65 -9.391 -5.058 11.542 1.00 53.51 H new ATOM 0 HD21 ASN A 65 -11.245 -7.390 13.970 1.00 21.33 H new ATOM 0 HD22 ASN A 65 -10.630 -5.743 14.144 1.00 21.33 H new ATOM 1025 N GLU A 66 -5.912 -6.014 13.551 1.00 34.42 N ATOM 1026 CA GLU A 66 -5.085 -6.547 14.649 1.00 23.32 C ATOM 1027 C GLU A 66 -5.976 -7.172 15.754 1.00 65.33 C ATOM 1028 O GLU A 66 -7.087 -6.699 16.015 1.00 61.12 O ATOM 1029 CB GLU A 66 -4.154 -5.447 15.229 1.00 41.14 C ATOM 1030 CG GLU A 66 -3.099 -5.945 16.244 1.00 25.21 C ATOM 1031 CD GLU A 66 -2.161 -7.043 15.679 1.00 52.22 C ATOM 1032 OE1 GLU A 66 -2.509 -8.244 15.792 1.00 63.12 O ATOM 1033 OE2 GLU A 66 -1.078 -6.718 15.137 1.00 33.31 O ATOM 0 H GLU A 66 -5.878 -4.999 13.461 1.00 34.42 H new ATOM 0 HA GLU A 66 -4.451 -7.336 14.245 1.00 23.32 H new ATOM 0 HB2 GLU A 66 -3.638 -4.958 14.403 1.00 41.14 H new ATOM 0 HB3 GLU A 66 -4.771 -4.689 15.713 1.00 41.14 H new ATOM 0 HG2 GLU A 66 -2.496 -5.099 16.573 1.00 25.21 H new ATOM 0 HG3 GLU A 66 -3.610 -6.334 17.125 1.00 25.21 H new ATOM 1327 N LYS B 3 5.553 -8.889 9.704 1.00 34.42 N ATOM 1328 CA LYS B 3 5.858 -7.466 9.409 1.00 23.50 C ATOM 1329 C LYS B 3 7.243 -7.332 8.705 1.00 13.41 C ATOM 1330 O LYS B 3 7.651 -6.238 8.304 1.00 54.31 O ATOM 1331 CB LYS B 3 5.830 -6.647 10.734 1.00 11.22 C ATOM 1332 CG LYS B 3 4.481 -6.706 11.502 1.00 32.13 C ATOM 1333 CD LYS B 3 3.330 -5.966 10.773 1.00 42.20 C ATOM 1334 CE LYS B 3 1.955 -6.194 11.435 1.00 30.23 C ATOM 1335 NZ LYS B 3 1.950 -5.880 12.892 1.00 73.00 N ATOM 0 HA LYS B 3 5.102 -7.072 8.730 1.00 23.50 H new ATOM 0 HB2 LYS B 3 6.622 -7.012 11.388 1.00 11.22 H new ATOM 0 HB3 LYS B 3 6.059 -5.606 10.507 1.00 11.22 H new ATOM 0 HG2 LYS B 3 4.199 -7.749 11.648 1.00 32.13 H new ATOM 0 HG3 LYS B 3 4.615 -6.270 12.492 1.00 32.13 H new ATOM 0 HD2 LYS B 3 3.546 -4.898 10.754 1.00 42.20 H new ATOM 0 HD3 LYS B 3 3.289 -6.301 9.737 1.00 42.20 H new ATOM 0 HE2 LYS B 3 1.210 -5.577 10.933 1.00 30.23 H new ATOM 0 HE3 LYS B 3 1.657 -7.233 11.292 1.00 30.23 H new ATOM 0 HZ1 LYS B 3 0.984 -5.638 13.192 1.00 73.00 H new ATOM 0 HZ2 LYS B 3 2.281 -6.708 13.427 1.00 73.00 H new ATOM 0 HZ3 LYS B 3 2.582 -5.075 13.076 1.00 73.00 H new ATOM 1349 N LYS B 4 7.963 -8.467 8.584 1.00 44.50 N ATOM 1350 CA LYS B 4 9.248 -8.556 7.854 1.00 23.22 C ATOM 1351 C LYS B 4 9.038 -8.596 6.323 1.00 22.00 C ATOM 1352 O LYS B 4 9.914 -8.173 5.565 1.00 72.24 O ATOM 1353 CB LYS B 4 10.032 -9.813 8.312 1.00 65.25 C ATOM 1354 CG LYS B 4 10.261 -9.877 9.839 1.00 44.55 C ATOM 1355 CD LYS B 4 11.180 -11.040 10.265 1.00 31.44 C ATOM 1356 CE LYS B 4 11.443 -11.062 11.785 1.00 51.53 C ATOM 1357 NZ LYS B 4 12.036 -9.782 12.276 1.00 23.12 N ATOM 0 H LYS B 4 7.668 -9.354 8.992 1.00 44.50 H new ATOM 0 HA LYS B 4 9.823 -7.660 8.087 1.00 23.22 H new ATOM 0 HB2 LYS B 4 9.489 -10.704 7.997 1.00 65.25 H new ATOM 0 HB3 LYS B 4 10.998 -9.833 7.807 1.00 65.25 H new ATOM 0 HG2 LYS B 4 10.697 -8.936 10.175 1.00 44.55 H new ATOM 0 HG3 LYS B 4 9.299 -9.980 10.341 1.00 44.55 H new ATOM 0 HD2 LYS B 4 10.727 -11.985 9.965 1.00 31.44 H new ATOM 0 HD3 LYS B 4 12.130 -10.960 9.737 1.00 31.44 H new ATOM 0 HE2 LYS B 4 10.507 -11.252 12.311 1.00 51.53 H new ATOM 0 HE3 LYS B 4 12.115 -11.886 12.023 1.00 51.53 H new ATOM 0 HZ1 LYS B 4 12.382 -9.910 13.249 1.00 23.12 H new ATOM 0 HZ2 LYS B 4 12.828 -9.508 11.660 1.00 23.12 H new ATOM 0 HZ3 LYS B 4 11.312 -9.036 12.261 1.00 23.12 H new ATOM 1371 N ILE B 5 7.875 -9.126 5.886 1.00 73.31 N ATOM 1372 CA ILE B 5 7.489 -9.179 4.451 1.00 75.11 C ATOM 1373 C ILE B 5 7.456 -7.764 3.835 1.00 73.13 C ATOM 1374 O ILE B 5 8.115 -7.491 2.833 1.00 32.31 O ATOM 1375 CB ILE B 5 6.067 -9.825 4.255 1.00 43.22 C ATOM 1376 CG1 ILE B 5 5.998 -11.247 4.889 1.00 4.31 C ATOM 1377 CG2 ILE B 5 5.664 -9.862 2.754 1.00 32.21 C ATOM 1378 CD1 ILE B 5 4.615 -11.876 4.848 1.00 32.33 C ATOM 0 H ILE B 5 7.177 -9.529 6.512 1.00 73.31 H new ATOM 0 HA ILE B 5 8.240 -9.791 3.952 1.00 75.11 H new ATOM 0 HB ILE B 5 5.347 -9.194 4.776 1.00 43.22 H new ATOM 0 HG12 ILE B 5 6.698 -11.900 4.368 1.00 4.31 H new ATOM 0 HG13 ILE B 5 6.328 -11.188 5.926 1.00 4.31 H new ATOM 0 HG21 ILE B 5 4.677 -10.314 2.653 1.00 32.21 H new ATOM 0 HG22 ILE B 5 5.640 -8.847 2.359 1.00 32.21 H new ATOM 0 HG23 ILE B 5 6.392 -10.452 2.196 1.00 32.21 H new ATOM 0 HD11 ILE B 5 4.651 -12.863 5.308 1.00 32.33 H new ATOM 0 HD12 ILE B 5 3.913 -11.246 5.394 1.00 32.33 H new ATOM 0 HD13 ILE B 5 4.289 -11.970 3.812 1.00 32.33 H new ATOM 1390 N VAL B 6 6.667 -6.884 4.474 1.00 4.31 N ATOM 1391 CA VAL B 6 6.457 -5.497 4.020 1.00 44.32 C ATOM 1392 C VAL B 6 7.766 -4.669 4.061 1.00 2.53 C ATOM 1393 O VAL B 6 7.937 -3.752 3.266 1.00 63.55 O ATOM 1394 CB VAL B 6 5.319 -4.807 4.863 1.00 13.10 C ATOM 1395 CG1 VAL B 6 4.004 -5.620 4.762 1.00 41.43 C ATOM 1396 CG2 VAL B 6 5.728 -4.621 6.344 1.00 31.35 C ATOM 0 H VAL B 6 6.154 -7.115 5.325 1.00 4.31 H new ATOM 0 HA VAL B 6 6.140 -5.535 2.978 1.00 44.32 H new ATOM 0 HB VAL B 6 5.157 -3.814 4.443 1.00 13.10 H new ATOM 0 HG11 VAL B 6 3.228 -5.130 5.350 1.00 41.43 H new ATOM 0 HG12 VAL B 6 3.690 -5.675 3.720 1.00 41.43 H new ATOM 0 HG13 VAL B 6 4.168 -6.627 5.145 1.00 41.43 H new ATOM 0 HG21 VAL B 6 4.914 -4.142 6.889 1.00 31.35 H new ATOM 0 HG22 VAL B 6 5.939 -5.594 6.788 1.00 31.35 H new ATOM 0 HG23 VAL B 6 6.619 -3.996 6.400 1.00 31.35 H new ATOM 1406 N GLY B 7 8.686 -5.037 4.983 1.00 63.30 N ATOM 1407 CA GLY B 7 10.025 -4.432 5.057 1.00 23.23 C ATOM 1408 C GLY B 7 10.938 -4.849 3.896 1.00 61.52 C ATOM 1409 O GLY B 7 11.608 -4.008 3.283 1.00 53.54 O ATOM 0 H GLY B 7 8.518 -5.755 5.688 1.00 63.30 H new ATOM 0 HA2 GLY B 7 9.927 -3.346 5.063 1.00 23.23 H new ATOM 0 HA3 GLY B 7 10.494 -4.715 6.000 1.00 23.23 H new ATOM 1413 N ALA B 8 10.940 -6.163 3.593 1.00 1.43 N ATOM 1414 CA ALA B 8 11.740 -6.752 2.490 1.00 22.43 C ATOM 1415 C ALA B 8 11.268 -6.244 1.101 1.00 11.22 C ATOM 1416 O ALA B 8 12.089 -5.971 0.216 1.00 22.14 O ATOM 1417 CB ALA B 8 11.667 -8.287 2.561 1.00 34.41 C ATOM 0 H ALA B 8 10.387 -6.850 4.105 1.00 1.43 H new ATOM 0 HA ALA B 8 12.775 -6.434 2.613 1.00 22.43 H new ATOM 0 HB1 ALA B 8 12.255 -8.717 1.750 1.00 34.41 H new ATOM 0 HB2 ALA B 8 12.065 -8.626 3.517 1.00 34.41 H new ATOM 0 HB3 ALA B 8 10.629 -8.607 2.466 1.00 34.41 H new ATOM 1423 N ASN B 9 9.932 -6.119 0.933 1.00 65.23 N ATOM 1424 CA ASN B 9 9.317 -5.547 -0.289 1.00 62.15 C ATOM 1425 C ASN B 9 9.689 -4.054 -0.432 1.00 3.41 C ATOM 1426 O ASN B 9 10.116 -3.614 -1.498 1.00 53.03 O ATOM 1427 CB ASN B 9 7.768 -5.691 -0.260 1.00 42.55 C ATOM 1428 CG ASN B 9 7.265 -7.133 -0.230 1.00 54.12 C ATOM 1429 OD1 ASN B 9 7.921 -8.050 -0.705 1.00 41.13 O ATOM 1430 ND2 ASN B 9 6.075 -7.339 0.305 1.00 24.02 N ATOM 0 H ASN B 9 9.252 -6.410 1.636 1.00 65.23 H new ATOM 0 HA ASN B 9 9.704 -6.102 -1.143 1.00 62.15 H new ATOM 0 HB2 ASN B 9 7.384 -5.167 0.615 1.00 42.55 H new ATOM 0 HB3 ASN B 9 7.353 -5.193 -1.137 1.00 42.55 H new ATOM 0 HD21 ASN B 9 5.683 -8.280 0.329 1.00 24.02 H new ATOM 0 HD22 ASN B 9 5.549 -6.557 0.694 1.00 24.02 H new ATOM 1437 N ALA B 10 9.586 -3.311 0.689 1.00 52.40 N ATOM 1438 CA ALA B 10 9.777 -1.844 0.721 1.00 62.14 C ATOM 1439 C ALA B 10 11.243 -1.442 0.448 1.00 1.15 C ATOM 1440 O ALA B 10 11.499 -0.389 -0.125 1.00 0.21 O ATOM 1441 CB ALA B 10 9.318 -1.294 2.080 1.00 23.14 C ATOM 0 H ALA B 10 9.367 -3.712 1.601 1.00 52.40 H new ATOM 0 HA ALA B 10 9.172 -1.411 -0.075 1.00 62.14 H new ATOM 0 HB1 ALA B 10 9.459 -0.213 2.102 1.00 23.14 H new ATOM 0 HB2 ALA B 10 8.263 -1.525 2.229 1.00 23.14 H new ATOM 0 HB3 ALA B 10 9.905 -1.753 2.875 1.00 23.14 H new ATOM 1447 N GLY B 11 12.194 -2.298 0.869 1.00 24.01 N ATOM 1448 CA GLY B 11 13.626 -2.074 0.612 1.00 53.32 C ATOM 1449 C GLY B 11 13.987 -2.128 -0.881 1.00 11.14 C ATOM 1450 O GLY B 11 14.769 -1.303 -1.377 1.00 60.23 O ATOM 0 H GLY B 11 11.994 -3.152 1.389 1.00 24.01 H new ATOM 0 HA2 GLY B 11 13.913 -1.103 1.014 1.00 53.32 H new ATOM 0 HA3 GLY B 11 14.207 -2.825 1.147 1.00 53.32 H new ATOM 1454 N LYS B 12 13.393 -3.105 -1.596 1.00 64.04 N ATOM 1455 CA LYS B 12 13.589 -3.283 -3.055 1.00 51.53 C ATOM 1456 C LYS B 12 12.877 -2.160 -3.860 1.00 3.43 C ATOM 1457 O LYS B 12 13.415 -1.653 -4.857 1.00 75.43 O ATOM 1458 CB LYS B 12 13.086 -4.688 -3.490 1.00 30.42 C ATOM 1459 CG LYS B 12 13.372 -5.038 -4.968 1.00 44.31 C ATOM 1460 CD LYS B 12 13.002 -6.490 -5.336 1.00 31.15 C ATOM 1461 CE LYS B 12 13.353 -6.829 -6.797 1.00 14.54 C ATOM 1462 NZ LYS B 12 14.805 -6.700 -7.077 1.00 44.34 N ATOM 0 H LYS B 12 12.764 -3.793 -1.182 1.00 64.04 H new ATOM 0 HA LYS B 12 14.655 -3.211 -3.272 1.00 51.53 H new ATOM 0 HB2 LYS B 12 13.552 -5.441 -2.854 1.00 30.42 H new ATOM 0 HB3 LYS B 12 12.011 -4.746 -3.317 1.00 30.42 H new ATOM 0 HG2 LYS B 12 12.815 -4.355 -5.610 1.00 44.31 H new ATOM 0 HG3 LYS B 12 14.430 -4.877 -5.174 1.00 44.31 H new ATOM 0 HD2 LYS B 12 13.525 -7.176 -4.670 1.00 31.15 H new ATOM 0 HD3 LYS B 12 11.935 -6.643 -5.176 1.00 31.15 H new ATOM 0 HE2 LYS B 12 13.033 -7.847 -7.017 1.00 14.54 H new ATOM 0 HE3 LYS B 12 12.798 -6.169 -7.463 1.00 14.54 H new ATOM 0 HZ1 LYS B 12 15.020 -7.128 -8.000 1.00 44.34 H new ATOM 0 HZ2 LYS B 12 15.068 -5.694 -7.092 1.00 44.34 H new ATOM 0 HZ3 LYS B 12 15.346 -7.188 -6.335 1.00 44.34 H new ATOM 1476 N VAL B 13 11.664 -1.781 -3.404 1.00 53.42 N ATOM 1477 CA VAL B 13 10.891 -0.641 -3.963 1.00 25.21 C ATOM 1478 C VAL B 13 11.660 0.696 -3.789 1.00 51.40 C ATOM 1479 O VAL B 13 11.714 1.517 -4.710 1.00 21.31 O ATOM 1480 CB VAL B 13 9.459 -0.550 -3.297 1.00 31.24 C ATOM 1481 CG1 VAL B 13 8.707 0.739 -3.714 1.00 21.44 C ATOM 1482 CG2 VAL B 13 8.609 -1.808 -3.627 1.00 1.24 C ATOM 0 H VAL B 13 11.188 -2.255 -2.636 1.00 53.42 H new ATOM 0 HA VAL B 13 10.762 -0.819 -5.030 1.00 25.21 H new ATOM 0 HB VAL B 13 9.611 -0.508 -2.218 1.00 31.24 H new ATOM 0 HG11 VAL B 13 7.729 0.761 -3.234 1.00 21.44 H new ATOM 0 HG12 VAL B 13 9.282 1.612 -3.405 1.00 21.44 H new ATOM 0 HG13 VAL B 13 8.580 0.752 -4.797 1.00 21.44 H new ATOM 0 HG21 VAL B 13 7.630 -1.719 -3.157 1.00 1.24 H new ATOM 0 HG22 VAL B 13 8.487 -1.891 -4.707 1.00 1.24 H new ATOM 0 HG23 VAL B 13 9.113 -2.697 -3.249 1.00 1.24 H new ATOM 1492 N TRP B 14 12.278 0.874 -2.604 1.00 52.21 N ATOM 1493 CA TRP B 14 13.050 2.093 -2.261 1.00 43.50 C ATOM 1494 C TRP B 14 14.338 2.209 -3.110 1.00 55.14 C ATOM 1495 O TRP B 14 14.789 3.320 -3.388 1.00 61.50 O ATOM 1496 CB TRP B 14 13.381 2.144 -0.745 1.00 51.24 C ATOM 1497 CG TRP B 14 13.841 3.507 -0.262 1.00 22.23 C ATOM 1498 CD1 TRP B 14 13.056 4.594 0.030 1.00 33.51 C ATOM 1499 CD2 TRP B 14 15.190 3.924 -0.034 1.00 24.11 C ATOM 1500 NE1 TRP B 14 13.842 5.646 0.430 1.00 24.00 N ATOM 1501 CE2 TRP B 14 15.156 5.258 0.397 1.00 13.21 C ATOM 1502 CE3 TRP B 14 16.419 3.284 -0.164 1.00 23.35 C ATOM 1503 CZ2 TRP B 14 16.313 5.967 0.717 1.00 52.21 C ATOM 1504 CZ3 TRP B 14 17.570 3.982 0.148 1.00 3.04 C ATOM 1505 CH2 TRP B 14 17.510 5.316 0.582 1.00 24.23 C ATOM 0 H TRP B 14 12.258 0.180 -1.857 1.00 52.21 H new ATOM 0 HA TRP B 14 12.419 2.950 -2.497 1.00 43.50 H new ATOM 0 HB2 TRP B 14 12.497 1.848 -0.180 1.00 51.24 H new ATOM 0 HB3 TRP B 14 14.158 1.411 -0.528 1.00 51.24 H new ATOM 0 HD1 TRP B 14 11.979 4.618 -0.044 1.00 33.51 H new ATOM 0 HE1 TRP B 14 13.503 6.567 0.707 1.00 24.00 H new ATOM 0 HE3 TRP B 14 16.472 2.260 -0.503 1.00 23.35 H new ATOM 0 HZ2 TRP B 14 16.267 6.991 1.058 1.00 52.21 H new ATOM 0 HZ3 TRP B 14 18.529 3.495 0.057 1.00 3.04 H new ATOM 0 HH2 TRP B 14 18.426 5.839 0.814 1.00 24.23 H new ATOM 1516 N HIS B 15 14.942 1.059 -3.491 1.00 34.24 N ATOM 1517 CA HIS B 15 16.074 1.035 -4.455 1.00 73.22 C ATOM 1518 C HIS B 15 15.644 1.604 -5.831 1.00 65.45 C ATOM 1519 O HIS B 15 16.362 2.411 -6.422 1.00 23.01 O ATOM 1520 CB HIS B 15 16.647 -0.401 -4.632 1.00 34.42 C ATOM 1521 CG HIS B 15 17.759 -0.480 -5.663 1.00 12.31 C ATOM 1522 ND1 HIS B 15 19.041 -0.046 -5.413 1.00 51.35 N ATOM 1523 CD2 HIS B 15 17.757 -0.875 -6.965 1.00 43.22 C ATOM 1524 CE1 HIS B 15 19.770 -0.160 -6.502 1.00 30.32 C ATOM 1525 NE2 HIS B 15 19.016 -0.659 -7.454 1.00 12.14 N ATOM 0 H HIS B 15 14.668 0.138 -3.149 1.00 34.24 H new ATOM 0 HA HIS B 15 16.860 1.667 -4.041 1.00 73.22 H new ATOM 0 HB2 HIS B 15 17.024 -0.755 -3.673 1.00 34.42 H new ATOM 0 HB3 HIS B 15 15.841 -1.073 -4.925 1.00 34.42 H new ATOM 0 HD2 HIS B 15 16.919 -1.283 -7.510 1.00 43.22 H new ATOM 0 HE1 HIS B 15 20.811 0.111 -6.597 1.00 30.32 H new ATOM 0 HE2 HIS B 15 19.321 -0.855 -8.407 1.00 12.14 H new ATOM 1534 N ALA B 16 14.469 1.166 -6.320 1.00 12.01 N ATOM 1535 CA ALA B 16 13.904 1.627 -7.616 1.00 54.22 C ATOM 1536 C ALA B 16 13.460 3.112 -7.539 1.00 71.54 C ATOM 1537 O ALA B 16 13.497 3.846 -8.530 1.00 43.34 O ATOM 1538 CB ALA B 16 12.733 0.717 -8.024 1.00 11.55 C ATOM 0 H ALA B 16 13.882 0.486 -5.836 1.00 12.01 H new ATOM 0 HA ALA B 16 14.680 1.563 -8.379 1.00 54.22 H new ATOM 0 HB1 ALA B 16 12.321 1.058 -8.974 1.00 11.55 H new ATOM 0 HB2 ALA B 16 13.088 -0.308 -8.129 1.00 11.55 H new ATOM 0 HB3 ALA B 16 11.958 0.756 -7.258 1.00 11.55 H new ATOM 1544 N LEU B 17 13.060 3.522 -6.325 1.00 34.02 N ATOM 1545 CA LEU B 17 12.701 4.914 -5.978 1.00 61.34 C ATOM 1546 C LEU B 17 13.974 5.804 -5.906 1.00 43.01 C ATOM 1547 O LEU B 17 13.939 6.991 -6.246 1.00 24.53 O ATOM 1548 CB LEU B 17 11.913 4.868 -4.625 1.00 61.53 C ATOM 1549 CG LEU B 17 11.392 6.198 -3.976 1.00 24.25 C ATOM 1550 CD1 LEU B 17 12.467 6.910 -3.127 1.00 34.04 C ATOM 1551 CD2 LEU B 17 10.772 7.131 -5.030 1.00 65.43 C ATOM 0 H LEU B 17 12.974 2.882 -5.535 1.00 34.02 H new ATOM 0 HA LEU B 17 12.069 5.365 -6.743 1.00 61.34 H new ATOM 0 HB2 LEU B 17 11.049 4.220 -4.775 1.00 61.53 H new ATOM 0 HB3 LEU B 17 12.555 4.379 -3.892 1.00 61.53 H new ATOM 0 HG LEU B 17 10.600 5.919 -3.281 1.00 24.25 H new ATOM 0 HD11 LEU B 17 12.050 7.824 -2.703 1.00 34.04 H new ATOM 0 HD12 LEU B 17 12.790 6.251 -2.321 1.00 34.04 H new ATOM 0 HD13 LEU B 17 13.321 7.159 -3.756 1.00 34.04 H new ATOM 0 HD21 LEU B 17 10.421 8.043 -4.547 1.00 65.43 H new ATOM 0 HD22 LEU B 17 11.522 7.383 -5.779 1.00 65.43 H new ATOM 0 HD23 LEU B 17 9.933 6.629 -5.511 1.00 65.43 H new ATOM 1563 N ASN B 18 15.094 5.212 -5.452 1.00 21.24 N ATOM 1564 CA ASN B 18 16.409 5.900 -5.367 1.00 42.31 C ATOM 1565 C ASN B 18 17.123 5.887 -6.744 1.00 71.12 C ATOM 1566 O ASN B 18 18.029 6.685 -6.994 1.00 61.32 O ATOM 1567 CB ASN B 18 17.298 5.203 -4.293 1.00 31.40 C ATOM 1568 CG ASN B 18 18.609 5.939 -3.961 1.00 42.41 C ATOM 1569 OD1 ASN B 18 19.642 5.319 -3.724 1.00 15.22 O ATOM 1570 ND2 ASN B 18 18.573 7.259 -3.888 1.00 71.33 N ATOM 0 H ASN B 18 15.120 4.244 -5.132 1.00 21.24 H new ATOM 0 HA ASN B 18 16.244 6.938 -5.078 1.00 42.31 H new ATOM 0 HB2 ASN B 18 16.718 5.094 -3.377 1.00 31.40 H new ATOM 0 HB3 ASN B 18 17.540 4.198 -4.639 1.00 31.40 H new ATOM 0 HD21 ASN B 18 19.412 7.779 -3.631 1.00 71.33 H new ATOM 0 HD22 ASN B 18 17.706 7.757 -4.088 1.00 71.33 H new ATOM 1577 N GLU B 19 16.702 4.960 -7.622 1.00 52.11 N ATOM 1578 CA GLU B 19 17.253 4.807 -8.984 1.00 20.34 C ATOM 1579 C GLU B 19 16.693 5.914 -9.905 1.00 0.15 C ATOM 1580 O GLU B 19 17.443 6.727 -10.455 1.00 41.32 O ATOM 1581 CB GLU B 19 16.887 3.395 -9.531 1.00 63.42 C ATOM 1582 CG GLU B 19 17.668 2.955 -10.783 1.00 22.31 C ATOM 1583 CD GLU B 19 19.163 2.703 -10.501 1.00 12.21 C ATOM 1584 OE1 GLU B 19 19.490 1.658 -9.895 1.00 34.31 O ATOM 1585 OE2 GLU B 19 20.012 3.553 -10.864 1.00 2.03 O ATOM 0 H GLU B 19 15.964 4.290 -7.407 1.00 52.11 H new ATOM 0 HA GLU B 19 18.338 4.904 -8.956 1.00 20.34 H new ATOM 0 HB2 GLU B 19 17.055 2.662 -8.742 1.00 63.42 H new ATOM 0 HB3 GLU B 19 15.822 3.377 -9.762 1.00 63.42 H new ATOM 0 HG2 GLU B 19 17.221 2.045 -11.183 1.00 22.31 H new ATOM 0 HG3 GLU B 19 17.573 3.721 -11.552 1.00 22.31 H new ATOM 1592 N ALA B 20 15.353 5.933 -10.030 1.00 22.44 N ATOM 1593 CA ALA B 20 14.606 6.941 -10.810 1.00 63.11 C ATOM 1594 C ALA B 20 13.182 7.084 -10.227 1.00 14.21 C ATOM 1595 O ALA B 20 12.370 6.154 -10.325 1.00 11.11 O ATOM 1596 CB ALA B 20 14.561 6.555 -12.301 1.00 31.52 C ATOM 0 H ALA B 20 14.750 5.240 -9.587 1.00 22.44 H new ATOM 0 HA ALA B 20 15.115 7.902 -10.739 1.00 63.11 H new ATOM 0 HB1 ALA B 20 14.006 7.311 -12.856 1.00 31.52 H new ATOM 0 HB2 ALA B 20 15.577 6.491 -12.691 1.00 31.52 H new ATOM 0 HB3 ALA B 20 14.068 5.589 -12.412 1.00 31.52 H new ATOM 1602 N ASP B 21 12.890 8.235 -9.599 1.00 10.33 N ATOM 1603 CA ASP B 21 11.597 8.481 -8.921 1.00 21.45 C ATOM 1604 C ASP B 21 10.543 9.125 -9.863 1.00 15.14 C ATOM 1605 O ASP B 21 10.823 9.416 -11.035 1.00 40.05 O ATOM 1606 CB ASP B 21 11.835 9.353 -7.668 1.00 23.54 C ATOM 1607 CG ASP B 21 12.242 10.796 -7.990 1.00 52.52 C ATOM 1608 OD1 ASP B 21 13.408 11.026 -8.374 1.00 12.24 O ATOM 1609 OD2 ASP B 21 11.397 11.703 -7.844 1.00 1.25 O ATOM 0 H ASP B 21 13.538 9.021 -9.544 1.00 10.33 H new ATOM 0 HA ASP B 21 11.184 7.518 -8.621 1.00 21.45 H new ATOM 0 HB2 ASP B 21 10.925 9.367 -7.068 1.00 23.54 H new ATOM 0 HB3 ASP B 21 12.613 8.893 -7.058 1.00 23.54 H new ATOM 1614 N GLY B 22 9.339 9.381 -9.308 1.00 74.54 N ATOM 1615 CA GLY B 22 8.179 9.814 -10.098 1.00 51.40 C ATOM 1616 C GLY B 22 7.594 8.662 -10.920 1.00 12.33 C ATOM 1617 O GLY B 22 7.401 8.782 -12.133 1.00 42.34 O ATOM 0 H GLY B 22 9.150 9.293 -8.310 1.00 74.54 H new ATOM 0 HA2 GLY B 22 7.413 10.212 -9.432 1.00 51.40 H new ATOM 0 HA3 GLY B 22 8.474 10.624 -10.765 1.00 51.40 H new ATOM 1621 N ILE B 23 7.329 7.527 -10.238 1.00 21.01 N ATOM 1622 CA ILE B 23 6.943 6.255 -10.895 1.00 71.33 C ATOM 1623 C ILE B 23 5.553 5.753 -10.406 1.00 12.12 C ATOM 1624 O ILE B 23 5.219 5.866 -9.226 1.00 31.23 O ATOM 1625 CB ILE B 23 8.064 5.158 -10.662 1.00 2.22 C ATOM 1626 CG1 ILE B 23 7.781 3.845 -11.475 1.00 13.12 C ATOM 1627 CG2 ILE B 23 8.268 4.853 -9.153 1.00 11.44 C ATOM 1628 CD1 ILE B 23 7.746 4.030 -12.985 1.00 61.31 C ATOM 0 H ILE B 23 7.376 7.464 -9.221 1.00 21.01 H new ATOM 0 HA ILE B 23 6.855 6.440 -11.966 1.00 71.33 H new ATOM 0 HB ILE B 23 8.996 5.578 -11.040 1.00 2.22 H new ATOM 0 HG12 ILE B 23 8.547 3.109 -11.230 1.00 13.12 H new ATOM 0 HG13 ILE B 23 6.826 3.431 -11.151 1.00 13.12 H new ATOM 0 HG21 ILE B 23 9.044 4.097 -9.036 1.00 11.44 H new ATOM 0 HG22 ILE B 23 8.568 5.764 -8.635 1.00 11.44 H new ATOM 0 HG23 ILE B 23 7.335 4.484 -8.727 1.00 11.44 H new ATOM 0 HD11 ILE B 23 7.545 3.072 -13.464 1.00 61.31 H new ATOM 0 HD12 ILE B 23 6.960 4.739 -13.247 1.00 61.31 H new ATOM 0 HD13 ILE B 23 8.708 4.412 -13.327 1.00 61.31 H new ATOM 1640 N SER B 24 4.750 5.215 -11.344 1.00 1.11 N ATOM 1641 CA SER B 24 3.410 4.639 -11.056 1.00 72.15 C ATOM 1642 C SER B 24 3.528 3.294 -10.310 1.00 63.44 C ATOM 1643 O SER B 24 4.434 2.523 -10.613 1.00 43.20 O ATOM 1644 CB SER B 24 2.650 4.416 -12.384 1.00 43.33 C ATOM 1645 OG SER B 24 2.618 5.592 -13.171 1.00 3.25 O ATOM 0 H SER B 24 5.008 5.165 -12.329 1.00 1.11 H new ATOM 0 HA SER B 24 2.868 5.340 -10.422 1.00 72.15 H new ATOM 0 HB2 SER B 24 3.128 3.614 -12.947 1.00 43.33 H new ATOM 0 HB3 SER B 24 1.631 4.093 -12.171 1.00 43.33 H new ATOM 0 HG SER B 24 2.344 6.351 -12.614 1.00 3.25 H new ATOM 1651 N ILE B 25 2.585 3.007 -9.379 1.00 13.13 N ATOM 1652 CA ILE B 25 2.571 1.737 -8.591 1.00 62.25 C ATOM 1653 C ILE B 25 2.620 0.441 -9.481 1.00 33.15 C ATOM 1654 O ILE B 25 3.479 -0.411 -9.238 1.00 74.35 O ATOM 1655 CB ILE B 25 1.325 1.648 -7.612 1.00 13.33 C ATOM 1656 CG1 ILE B 25 1.336 2.815 -6.578 1.00 70.41 C ATOM 1657 CG2 ILE B 25 1.253 0.269 -6.896 1.00 12.25 C ATOM 1658 CD1 ILE B 25 0.175 2.814 -5.583 1.00 53.51 C ATOM 0 H ILE B 25 1.817 3.639 -9.150 1.00 13.13 H new ATOM 0 HA ILE B 25 3.489 1.774 -8.004 1.00 62.25 H new ATOM 0 HB ILE B 25 0.427 1.747 -8.222 1.00 13.33 H new ATOM 0 HG12 ILE B 25 2.272 2.776 -6.020 1.00 70.41 H new ATOM 0 HG13 ILE B 25 1.328 3.760 -7.121 1.00 70.41 H new ATOM 0 HG21 ILE B 25 0.387 0.247 -6.235 1.00 12.25 H new ATOM 0 HG22 ILE B 25 1.162 -0.523 -7.640 1.00 12.25 H new ATOM 0 HG23 ILE B 25 2.160 0.115 -6.311 1.00 12.25 H new ATOM 0 HD11 ILE B 25 0.274 3.664 -4.908 1.00 53.51 H new ATOM 0 HD12 ILE B 25 -0.768 2.888 -6.124 1.00 53.51 H new ATOM 0 HD13 ILE B 25 0.191 1.889 -5.007 1.00 53.51 H new ATOM 1670 N PRO B 26 1.719 0.246 -10.523 1.00 74.20 N ATOM 1671 CA PRO B 26 1.701 -1.014 -11.316 1.00 41.13 C ATOM 1672 C PRO B 26 2.950 -1.204 -12.221 1.00 13.04 C ATOM 1673 O PRO B 26 3.304 -2.336 -12.551 1.00 13.34 O ATOM 1674 CB PRO B 26 0.397 -0.898 -12.150 1.00 74.10 C ATOM 1675 CG PRO B 26 0.197 0.576 -12.314 1.00 54.13 C ATOM 1676 CD PRO B 26 0.655 1.187 -11.003 1.00 54.55 C ATOM 0 HA PRO B 26 1.728 -1.892 -10.671 1.00 41.13 H new ATOM 0 HB2 PRO B 26 0.495 -1.396 -13.114 1.00 74.10 H new ATOM 0 HB3 PRO B 26 -0.447 -1.360 -11.637 1.00 74.10 H new ATOM 0 HG2 PRO B 26 0.777 0.961 -13.152 1.00 54.13 H new ATOM 0 HG3 PRO B 26 -0.848 0.812 -12.515 1.00 54.13 H new ATOM 0 HD2 PRO B 26 1.046 2.194 -11.146 1.00 54.55 H new ATOM 0 HD3 PRO B 26 -0.165 1.262 -10.289 1.00 54.55 H new ATOM 1684 N GLU B 27 3.614 -0.096 -12.602 1.00 31.50 N ATOM 1685 CA GLU B 27 4.859 -0.146 -13.408 1.00 60.23 C ATOM 1686 C GLU B 27 6.044 -0.530 -12.504 1.00 22.33 C ATOM 1687 O GLU B 27 6.857 -1.396 -12.828 1.00 53.03 O ATOM 1688 CB GLU B 27 5.134 1.228 -14.058 1.00 44.02 C ATOM 1689 CG GLU B 27 6.364 1.265 -15.000 1.00 35.31 C ATOM 1690 CD GLU B 27 6.241 0.352 -16.240 1.00 43.50 C ATOM 1691 OE1 GLU B 27 6.626 -0.837 -16.177 1.00 23.41 O ATOM 1692 OE2 GLU B 27 5.762 0.826 -17.291 1.00 3.21 O ATOM 0 H GLU B 27 3.312 0.849 -12.366 1.00 31.50 H new ATOM 0 HA GLU B 27 4.738 -0.892 -14.194 1.00 60.23 H new ATOM 0 HB2 GLU B 27 4.252 1.531 -14.623 1.00 44.02 H new ATOM 0 HB3 GLU B 27 5.276 1.966 -13.269 1.00 44.02 H new ATOM 0 HG2 GLU B 27 6.522 2.291 -15.333 1.00 35.31 H new ATOM 0 HG3 GLU B 27 7.249 0.973 -14.435 1.00 35.31 H new ATOM 1699 N LEU B 28 6.092 0.159 -11.364 1.00 0.34 N ATOM 1700 CA LEU B 28 7.037 -0.078 -10.258 1.00 61.34 C ATOM 1701 C LEU B 28 6.961 -1.536 -9.743 1.00 33.30 C ATOM 1702 O LEU B 28 7.977 -2.120 -9.369 1.00 2.22 O ATOM 1703 CB LEU B 28 6.672 0.933 -9.151 1.00 63.33 C ATOM 1704 CG LEU B 28 7.394 0.838 -7.787 1.00 31.41 C ATOM 1705 CD1 LEU B 28 8.920 1.048 -7.917 1.00 3.01 C ATOM 1706 CD2 LEU B 28 6.745 1.835 -6.801 1.00 15.45 C ATOM 0 H LEU B 28 5.451 0.929 -11.172 1.00 0.34 H new ATOM 0 HA LEU B 28 8.066 0.062 -10.591 1.00 61.34 H new ATOM 0 HB2 LEU B 28 6.846 1.933 -9.547 1.00 63.33 H new ATOM 0 HB3 LEU B 28 5.602 0.846 -8.964 1.00 63.33 H new ATOM 0 HG LEU B 28 7.274 -0.172 -7.394 1.00 31.41 H new ATOM 0 HD11 LEU B 28 9.383 0.972 -6.933 1.00 3.01 H new ATOM 0 HD12 LEU B 28 9.338 0.285 -8.574 1.00 3.01 H new ATOM 0 HD13 LEU B 28 9.117 2.035 -8.336 1.00 3.01 H new ATOM 0 HD21 LEU B 28 7.249 1.773 -5.837 1.00 15.45 H new ATOM 0 HD22 LEU B 28 6.836 2.847 -7.194 1.00 15.45 H new ATOM 0 HD23 LEU B 28 5.691 1.588 -6.675 1.00 15.45 H new ATOM 1718 N ALA B 29 5.743 -2.103 -9.762 1.00 12.32 N ATOM 1719 CA ALA B 29 5.486 -3.514 -9.408 1.00 41.23 C ATOM 1720 C ALA B 29 6.200 -4.487 -10.378 1.00 40.43 C ATOM 1721 O ALA B 29 6.773 -5.489 -9.952 1.00 22.33 O ATOM 1722 CB ALA B 29 3.974 -3.777 -9.376 1.00 45.42 C ATOM 0 H ALA B 29 4.900 -1.593 -10.025 1.00 12.32 H new ATOM 0 HA ALA B 29 5.897 -3.697 -8.415 1.00 41.23 H new ATOM 0 HB1 ALA B 29 3.791 -4.819 -9.114 1.00 45.42 H new ATOM 0 HB2 ALA B 29 3.508 -3.129 -8.633 1.00 45.42 H new ATOM 0 HB3 ALA B 29 3.548 -3.569 -10.357 1.00 45.42 H new ATOM 1728 N ARG B 30 6.178 -4.153 -11.685 1.00 41.11 N ATOM 1729 CA ARG B 30 6.891 -4.929 -12.734 1.00 22.44 C ATOM 1730 C ARG B 30 8.422 -4.830 -12.537 1.00 73.44 C ATOM 1731 O ARG B 30 9.142 -5.822 -12.684 1.00 70.04 O ATOM 1732 CB ARG B 30 6.514 -4.409 -14.144 1.00 32.30 C ATOM 1733 CG ARG B 30 4.999 -4.392 -14.426 1.00 42.25 C ATOM 1734 CD ARG B 30 4.658 -3.821 -15.811 1.00 4.11 C ATOM 1735 NE ARG B 30 3.203 -3.671 -16.002 1.00 31.44 N ATOM 1736 CZ ARG B 30 2.505 -4.131 -17.022 1.00 23.20 C ATOM 1737 NH1 ARG B 30 3.050 -4.865 -17.944 1.00 32.04 N ATOM 1738 NH2 ARG B 30 1.245 -3.859 -17.097 1.00 12.33 N ATOM 0 H ARG B 30 5.671 -3.345 -12.046 1.00 41.11 H new ATOM 0 HA ARG B 30 6.589 -5.973 -12.647 1.00 22.44 H new ATOM 0 HB2 ARG B 30 6.906 -3.399 -14.263 1.00 32.30 H new ATOM 0 HB3 ARG B 30 7.005 -5.032 -14.892 1.00 32.30 H new ATOM 0 HG2 ARG B 30 4.608 -5.407 -14.350 1.00 42.25 H new ATOM 0 HG3 ARG B 30 4.498 -3.800 -13.660 1.00 42.25 H new ATOM 0 HD2 ARG B 30 5.142 -2.852 -15.933 1.00 4.11 H new ATOM 0 HD3 ARG B 30 5.060 -4.477 -16.583 1.00 4.11 H new ATOM 0 HE ARG B 30 2.690 -3.166 -15.280 1.00 31.44 H new ATOM 0 HH11 ARG B 30 4.041 -5.099 -17.890 1.00 32.04 H new ATOM 0 HH12 ARG B 30 2.487 -5.208 -18.722 1.00 32.04 H new ATOM 0 HH21 ARG B 30 0.801 -3.295 -16.373 1.00 12.33 H new ATOM 0 HH22 ARG B 30 0.694 -4.209 -17.881 1.00 12.33 H new ATOM 1752 N LYS B 31 8.887 -3.612 -12.188 1.00 12.44 N ATOM 1753 CA LYS B 31 10.311 -3.322 -11.907 1.00 62.22 C ATOM 1754 C LYS B 31 10.836 -4.167 -10.724 1.00 24.41 C ATOM 1755 O LYS B 31 11.911 -4.760 -10.805 1.00 2.41 O ATOM 1756 CB LYS B 31 10.500 -1.808 -11.597 1.00 12.32 C ATOM 1757 CG LYS B 31 10.132 -0.863 -12.763 1.00 20.12 C ATOM 1758 CD LYS B 31 10.279 0.637 -12.401 1.00 24.54 C ATOM 1759 CE LYS B 31 11.709 1.015 -11.968 1.00 45.13 C ATOM 1760 NZ LYS B 31 12.713 0.724 -13.027 1.00 40.03 N ATOM 0 H LYS B 31 8.282 -2.796 -12.092 1.00 12.44 H new ATOM 0 HA LYS B 31 10.885 -3.585 -12.795 1.00 62.22 H new ATOM 0 HB2 LYS B 31 9.891 -1.549 -10.731 1.00 12.32 H new ATOM 0 HB3 LYS B 31 11.540 -1.634 -11.320 1.00 12.32 H new ATOM 0 HG2 LYS B 31 10.768 -1.088 -13.619 1.00 20.12 H new ATOM 0 HG3 LYS B 31 9.104 -1.057 -13.070 1.00 20.12 H new ATOM 0 HD2 LYS B 31 9.994 1.242 -13.262 1.00 24.54 H new ATOM 0 HD3 LYS B 31 9.585 0.880 -11.596 1.00 24.54 H new ATOM 0 HE2 LYS B 31 11.743 2.076 -11.719 1.00 45.13 H new ATOM 0 HE3 LYS B 31 11.969 0.467 -11.063 1.00 45.13 H new ATOM 0 HZ1 LYS B 31 13.652 1.041 -12.712 1.00 40.03 H new ATOM 0 HZ2 LYS B 31 12.737 -0.299 -13.211 1.00 40.03 H new ATOM 0 HZ3 LYS B 31 12.453 1.227 -13.899 1.00 40.03 H new ATOM 1774 N VAL B 32 10.047 -4.229 -9.630 1.00 10.22 N ATOM 1775 CA VAL B 32 10.423 -4.971 -8.400 1.00 70.33 C ATOM 1776 C VAL B 32 9.932 -6.442 -8.419 1.00 74.35 C ATOM 1777 O VAL B 32 10.098 -7.156 -7.426 1.00 53.33 O ATOM 1778 CB VAL B 32 9.911 -4.232 -7.102 1.00 73.42 C ATOM 1779 CG1 VAL B 32 10.448 -2.781 -7.045 1.00 42.13 C ATOM 1780 CG2 VAL B 32 8.365 -4.267 -6.985 1.00 21.04 C ATOM 0 H VAL B 32 9.138 -3.771 -9.571 1.00 10.22 H new ATOM 0 HA VAL B 32 11.513 -4.994 -8.377 1.00 70.33 H new ATOM 0 HB VAL B 32 10.306 -4.773 -6.242 1.00 73.42 H new ATOM 0 HG11 VAL B 32 10.082 -2.293 -6.142 1.00 42.13 H new ATOM 0 HG12 VAL B 32 11.538 -2.797 -7.032 1.00 42.13 H new ATOM 0 HG13 VAL B 32 10.103 -2.231 -7.920 1.00 42.13 H new ATOM 0 HG21 VAL B 32 8.057 -3.747 -6.078 1.00 21.04 H new ATOM 0 HG22 VAL B 32 7.923 -3.776 -7.852 1.00 21.04 H new ATOM 0 HG23 VAL B 32 8.027 -5.302 -6.943 1.00 21.04 H new ATOM 1790 N ASN B 33 9.324 -6.871 -9.554 1.00 34.13 N ATOM 1791 CA ASN B 33 8.912 -8.283 -9.812 1.00 2.52 C ATOM 1792 C ASN B 33 7.858 -8.794 -8.766 1.00 30.03 C ATOM 1793 O ASN B 33 7.810 -9.974 -8.409 1.00 21.05 O ATOM 1794 CB ASN B 33 10.190 -9.186 -9.893 1.00 34.25 C ATOM 1795 CG ASN B 33 9.936 -10.587 -10.458 1.00 13.32 C ATOM 1796 OD1 ASN B 33 9.928 -10.786 -11.665 1.00 13.24 O ATOM 1797 ND2 ASN B 33 9.738 -11.571 -9.601 1.00 52.43 N ATOM 0 H ASN B 33 9.102 -6.243 -10.327 1.00 34.13 H new ATOM 0 HA ASN B 33 8.399 -8.336 -10.772 1.00 2.52 H new ATOM 0 HB2 ASN B 33 10.935 -8.687 -10.512 1.00 34.25 H new ATOM 0 HB3 ASN B 33 10.617 -9.281 -8.895 1.00 34.25 H new ATOM 0 HD21 ASN B 33 9.574 -12.519 -9.941 1.00 52.43 H new ATOM 0 HD22 ASN B 33 9.749 -11.384 -8.598 1.00 52.43 H new ATOM 1804 N LEU B 34 7.001 -7.871 -8.291 1.00 75.23 N ATOM 1805 CA LEU B 34 5.911 -8.170 -7.326 1.00 12.30 C ATOM 1806 C LEU B 34 4.535 -7.745 -7.893 1.00 23.21 C ATOM 1807 O LEU B 34 4.449 -7.085 -8.935 1.00 40.31 O ATOM 1808 CB LEU B 34 6.188 -7.440 -5.976 1.00 3.12 C ATOM 1809 CG LEU B 34 7.532 -7.798 -5.259 1.00 42.22 C ATOM 1810 CD1 LEU B 34 7.737 -6.941 -3.992 1.00 75.44 C ATOM 1811 CD2 LEU B 34 7.614 -9.310 -4.940 1.00 44.11 C ATOM 0 H LEU B 34 7.040 -6.889 -8.564 1.00 75.23 H new ATOM 0 HA LEU B 34 5.886 -9.246 -7.155 1.00 12.30 H new ATOM 0 HB2 LEU B 34 6.173 -6.365 -6.158 1.00 3.12 H new ATOM 0 HB3 LEU B 34 5.367 -7.659 -5.293 1.00 3.12 H new ATOM 0 HG LEU B 34 8.345 -7.565 -5.946 1.00 42.22 H new ATOM 0 HD11 LEU B 34 8.679 -7.214 -3.517 1.00 75.44 H new ATOM 0 HD12 LEU B 34 7.761 -5.886 -4.266 1.00 75.44 H new ATOM 0 HD13 LEU B 34 6.916 -7.117 -3.297 1.00 75.44 H new ATOM 0 HD21 LEU B 34 8.559 -9.526 -4.442 1.00 44.11 H new ATOM 0 HD22 LEU B 34 6.788 -9.589 -4.286 1.00 44.11 H new ATOM 0 HD23 LEU B 34 7.553 -9.881 -5.866 1.00 44.11 H new ATOM 1823 N SER B 35 3.458 -8.150 -7.197 1.00 51.23 N ATOM 1824 CA SER B 35 2.069 -7.733 -7.521 1.00 11.24 C ATOM 1825 C SER B 35 1.843 -6.236 -7.221 1.00 42.25 C ATOM 1826 O SER B 35 2.543 -5.660 -6.381 1.00 42.33 O ATOM 1827 CB SER B 35 1.058 -8.583 -6.711 1.00 63.34 C ATOM 1828 OG SER B 35 1.288 -9.969 -6.895 1.00 3.10 O ATOM 0 H SER B 35 3.519 -8.775 -6.393 1.00 51.23 H new ATOM 0 HA SER B 35 1.914 -7.894 -8.588 1.00 11.24 H new ATOM 0 HB2 SER B 35 1.138 -8.336 -5.652 1.00 63.34 H new ATOM 0 HB3 SER B 35 0.042 -8.336 -7.020 1.00 63.34 H new ATOM 0 HG SER B 35 0.637 -10.481 -6.371 1.00 3.10 H new ATOM 1834 N VAL B 36 0.861 -5.622 -7.914 1.00 13.42 N ATOM 1835 CA VAL B 36 0.461 -4.203 -7.693 1.00 24.51 C ATOM 1836 C VAL B 36 0.137 -3.930 -6.201 1.00 11.33 C ATOM 1837 O VAL B 36 0.640 -2.971 -5.617 1.00 71.12 O ATOM 1838 CB VAL B 36 -0.782 -3.819 -8.588 1.00 30.32 C ATOM 1839 CG1 VAL B 36 -1.275 -2.368 -8.324 1.00 45.22 C ATOM 1840 CG2 VAL B 36 -0.470 -4.039 -10.088 1.00 31.53 C ATOM 0 H VAL B 36 0.320 -6.089 -8.642 1.00 13.42 H new ATOM 0 HA VAL B 36 1.309 -3.582 -7.981 1.00 24.51 H new ATOM 0 HB VAL B 36 -1.598 -4.484 -8.306 1.00 30.32 H new ATOM 0 HG11 VAL B 36 -2.131 -2.152 -8.964 1.00 45.22 H new ATOM 0 HG12 VAL B 36 -1.569 -2.268 -7.279 1.00 45.22 H new ATOM 0 HG13 VAL B 36 -0.472 -1.665 -8.544 1.00 45.22 H new ATOM 0 HG21 VAL B 36 -1.341 -3.768 -10.684 1.00 31.53 H new ATOM 0 HG22 VAL B 36 0.377 -3.417 -10.379 1.00 31.53 H new ATOM 0 HG23 VAL B 36 -0.226 -5.087 -10.259 1.00 31.53 H new ATOM 1850 N GLU B 37 -0.693 -4.810 -5.612 1.00 21.13 N ATOM 1851 CA GLU B 37 -1.041 -4.782 -4.165 1.00 52.22 C ATOM 1852 C GLU B 37 0.218 -4.920 -3.265 1.00 12.22 C ATOM 1853 O GLU B 37 0.451 -4.089 -2.382 1.00 44.42 O ATOM 1854 CB GLU B 37 -2.022 -5.935 -3.856 1.00 72.13 C ATOM 1855 CG GLU B 37 -3.355 -5.882 -4.625 1.00 61.13 C ATOM 1856 CD GLU B 37 -4.184 -7.170 -4.459 1.00 70.04 C ATOM 1857 OE1 GLU B 37 -4.555 -7.512 -3.308 1.00 42.11 O ATOM 1858 OE2 GLU B 37 -4.434 -7.862 -5.474 1.00 63.23 O ATOM 0 H GLU B 37 -1.147 -5.567 -6.122 1.00 21.13 H new ATOM 0 HA GLU B 37 -1.503 -3.819 -3.947 1.00 52.22 H new ATOM 0 HB2 GLU B 37 -1.529 -6.881 -4.080 1.00 72.13 H new ATOM 0 HB3 GLU B 37 -2.237 -5.932 -2.787 1.00 72.13 H new ATOM 0 HG2 GLU B 37 -3.939 -5.031 -4.275 1.00 61.13 H new ATOM 0 HG3 GLU B 37 -3.154 -5.717 -5.684 1.00 61.13 H new ATOM 1865 N SER B 38 1.022 -5.978 -3.535 1.00 12.52 N ATOM 1866 CA SER B 38 2.266 -6.310 -2.771 1.00 41.02 C ATOM 1867 C SER B 38 3.284 -5.144 -2.749 1.00 32.13 C ATOM 1868 O SER B 38 4.030 -4.973 -1.778 1.00 23.44 O ATOM 1869 CB SER B 38 2.944 -7.562 -3.379 1.00 73.11 C ATOM 1870 OG SER B 38 4.134 -7.922 -2.681 1.00 42.02 O ATOM 0 H SER B 38 0.830 -6.634 -4.293 1.00 12.52 H new ATOM 0 HA SER B 38 1.960 -6.502 -1.743 1.00 41.02 H new ATOM 0 HB2 SER B 38 2.245 -8.398 -3.358 1.00 73.11 H new ATOM 0 HB3 SER B 38 3.182 -7.372 -4.426 1.00 73.11 H new ATOM 0 HG SER B 38 4.537 -8.708 -3.106 1.00 42.02 H new ATOM 1876 N THR B 39 3.301 -4.370 -3.839 1.00 63.34 N ATOM 1877 CA THR B 39 4.163 -3.185 -3.985 1.00 64.32 C ATOM 1878 C THR B 39 3.536 -1.956 -3.278 1.00 43.55 C ATOM 1879 O THR B 39 4.212 -1.280 -2.519 1.00 2.32 O ATOM 1880 CB THR B 39 4.410 -2.874 -5.499 1.00 63.44 C ATOM 1881 OG1 THR B 39 5.007 -4.024 -6.129 1.00 13.41 O ATOM 1882 CG2 THR B 39 5.322 -1.655 -5.728 1.00 62.13 C ATOM 0 H THR B 39 2.713 -4.547 -4.654 1.00 63.34 H new ATOM 0 HA THR B 39 5.121 -3.400 -3.511 1.00 64.32 H new ATOM 0 HB THR B 39 3.439 -2.639 -5.935 1.00 63.44 H new ATOM 0 HG1 THR B 39 4.315 -4.694 -6.310 1.00 13.41 H new ATOM 0 HG21 THR B 39 5.453 -1.494 -6.798 1.00 62.13 H new ATOM 0 HG22 THR B 39 4.867 -0.771 -5.281 1.00 62.13 H new ATOM 0 HG23 THR B 39 6.293 -1.835 -5.267 1.00 62.13 H new ATOM 1890 N ALA B 40 2.222 -1.730 -3.502 1.00 35.44 N ATOM 1891 CA ALA B 40 1.492 -0.508 -3.050 1.00 75.21 C ATOM 1892 C ALA B 40 1.541 -0.285 -1.516 1.00 63.43 C ATOM 1893 O ALA B 40 1.907 0.801 -1.048 1.00 43.55 O ATOM 1894 CB ALA B 40 0.030 -0.577 -3.525 1.00 43.23 C ATOM 0 H ALA B 40 1.628 -2.390 -4.004 1.00 35.44 H new ATOM 0 HA ALA B 40 2.002 0.345 -3.498 1.00 75.21 H new ATOM 0 HB1 ALA B 40 -0.502 0.315 -3.195 1.00 43.23 H new ATOM 0 HB2 ALA B 40 0.003 -0.634 -4.613 1.00 43.23 H new ATOM 0 HB3 ALA B 40 -0.448 -1.461 -3.104 1.00 43.23 H new ATOM 1900 N LEU B 41 1.159 -1.322 -0.745 1.00 63.24 N ATOM 1901 CA LEU B 41 1.150 -1.246 0.741 1.00 42.22 C ATOM 1902 C LEU B 41 2.604 -1.192 1.310 1.00 72.32 C ATOM 1903 O LEU B 41 2.842 -0.643 2.391 1.00 33.21 O ATOM 1904 CB LEU B 41 0.227 -2.370 1.369 1.00 64.04 C ATOM 1905 CG LEU B 41 0.785 -3.798 1.732 1.00 33.11 C ATOM 1906 CD1 LEU B 41 1.593 -4.457 0.604 1.00 1.31 C ATOM 1907 CD2 LEU B 41 1.549 -3.778 3.068 1.00 70.44 C ATOM 0 H LEU B 41 0.853 -2.221 -1.118 1.00 63.24 H new ATOM 0 HA LEU B 41 0.692 -0.306 1.049 1.00 42.22 H new ATOM 0 HB2 LEU B 41 -0.196 -1.955 2.284 1.00 64.04 H new ATOM 0 HB3 LEU B 41 -0.600 -2.522 0.676 1.00 64.04 H new ATOM 0 HG LEU B 41 -0.088 -4.438 1.858 1.00 33.11 H new ATOM 0 HD11 LEU B 41 1.943 -5.436 0.931 1.00 1.31 H new ATOM 0 HD12 LEU B 41 0.961 -4.573 -0.277 1.00 1.31 H new ATOM 0 HD13 LEU B 41 2.450 -3.830 0.356 1.00 1.31 H new ATOM 0 HD21 LEU B 41 1.921 -4.778 3.289 1.00 70.44 H new ATOM 0 HD22 LEU B 41 2.388 -3.086 2.997 1.00 70.44 H new ATOM 0 HD23 LEU B 41 0.879 -3.455 3.865 1.00 70.44 H new ATOM 1919 N ALA B 42 3.566 -1.763 0.549 1.00 31.31 N ATOM 1920 CA ALA B 42 5.015 -1.698 0.867 1.00 41.42 C ATOM 1921 C ALA B 42 5.576 -0.266 0.675 1.00 25.21 C ATOM 1922 O ALA B 42 6.471 0.167 1.409 1.00 62.01 O ATOM 1923 CB ALA B 42 5.791 -2.699 0.004 1.00 22.14 C ATOM 0 H ALA B 42 3.361 -2.283 -0.304 1.00 31.31 H new ATOM 0 HA ALA B 42 5.140 -1.963 1.917 1.00 41.42 H new ATOM 0 HB1 ALA B 42 6.852 -2.642 0.246 1.00 22.14 H new ATOM 0 HB2 ALA B 42 5.427 -3.708 0.201 1.00 22.14 H new ATOM 0 HB3 ALA B 42 5.646 -2.460 -1.050 1.00 22.14 H new ATOM 1929 N VAL B 43 5.046 0.461 -0.331 1.00 4.14 N ATOM 1930 CA VAL B 43 5.314 1.908 -0.504 1.00 35.54 C ATOM 1931 C VAL B 43 4.761 2.698 0.719 1.00 24.13 C ATOM 1932 O VAL B 43 5.349 3.697 1.136 1.00 33.21 O ATOM 1933 CB VAL B 43 4.691 2.470 -1.844 1.00 50.33 C ATOM 1934 CG1 VAL B 43 5.022 3.961 -2.047 1.00 5.31 C ATOM 1935 CG2 VAL B 43 5.147 1.656 -3.078 1.00 75.40 C ATOM 0 H VAL B 43 4.427 0.069 -1.040 1.00 4.14 H new ATOM 0 HA VAL B 43 6.394 2.040 -0.567 1.00 35.54 H new ATOM 0 HB VAL B 43 3.610 2.367 -1.746 1.00 50.33 H new ATOM 0 HG11 VAL B 43 4.576 4.309 -2.979 1.00 5.31 H new ATOM 0 HG12 VAL B 43 4.621 4.539 -1.214 1.00 5.31 H new ATOM 0 HG13 VAL B 43 6.103 4.091 -2.092 1.00 5.31 H new ATOM 0 HG21 VAL B 43 4.696 2.075 -3.977 1.00 75.40 H new ATOM 0 HG22 VAL B 43 6.233 1.700 -3.162 1.00 75.40 H new ATOM 0 HG23 VAL B 43 4.834 0.618 -2.965 1.00 75.40 H new ATOM 1945 N GLY B 44 3.640 2.207 1.300 1.00 2.20 N ATOM 1946 CA GLY B 44 3.095 2.750 2.559 1.00 52.45 C ATOM 1947 C GLY B 44 4.027 2.530 3.767 1.00 51.10 C ATOM 1948 O GLY B 44 4.076 3.356 4.689 1.00 64.33 O ATOM 0 H GLY B 44 3.098 1.435 0.913 1.00 2.20 H new ATOM 0 HA2 GLY B 44 2.913 3.818 2.438 1.00 52.45 H new ATOM 0 HA3 GLY B 44 2.131 2.283 2.762 1.00 52.45 H new ATOM 1952 N TRP B 45 4.770 1.406 3.744 1.00 71.11 N ATOM 1953 CA TRP B 45 5.788 1.074 4.773 1.00 22.10 C ATOM 1954 C TRP B 45 7.047 1.982 4.654 1.00 51.21 C ATOM 1955 O TRP B 45 7.811 2.130 5.605 1.00 4.11 O ATOM 1956 CB TRP B 45 6.172 -0.426 4.659 1.00 4.32 C ATOM 1957 CG TRP B 45 7.050 -0.945 5.782 1.00 4.51 C ATOM 1958 CD1 TRP B 45 8.383 -1.248 5.731 1.00 64.20 C ATOM 1959 CD2 TRP B 45 6.640 -1.210 7.129 1.00 31.54 C ATOM 1960 NE1 TRP B 45 8.812 -1.704 6.950 1.00 44.12 N ATOM 1961 CE2 TRP B 45 7.760 -1.693 7.824 1.00 43.31 C ATOM 1962 CE3 TRP B 45 5.426 -1.097 7.809 1.00 23.02 C ATOM 1963 CZ2 TRP B 45 7.704 -2.060 9.165 1.00 54.11 C ATOM 1964 CZ3 TRP B 45 5.372 -1.462 9.139 1.00 32.22 C ATOM 1965 CH2 TRP B 45 6.502 -1.941 9.805 1.00 43.21 C ATOM 0 H TRP B 45 4.685 0.699 3.013 1.00 71.11 H new ATOM 0 HA TRP B 45 5.356 1.260 5.756 1.00 22.10 H new ATOM 0 HB2 TRP B 45 5.258 -1.019 4.628 1.00 4.32 H new ATOM 0 HB3 TRP B 45 6.687 -0.584 3.711 1.00 4.32 H new ATOM 0 HD1 TRP B 45 9.007 -1.143 4.856 1.00 64.20 H new ATOM 0 HE1 TRP B 45 9.762 -2.003 7.170 1.00 44.12 H new ATOM 0 HE3 TRP B 45 4.545 -0.731 7.303 1.00 23.02 H new ATOM 0 HZ2 TRP B 45 8.579 -2.426 9.682 1.00 54.11 H new ATOM 0 HZ3 TRP B 45 4.438 -1.376 9.675 1.00 32.22 H new ATOM 0 HH2 TRP B 45 6.425 -2.223 10.845 1.00 43.21 H new ATOM 1976 N LEU B 46 7.310 2.515 3.457 1.00 52.13 N ATOM 1977 CA LEU B 46 8.281 3.624 3.265 1.00 20.24 C ATOM 1978 C LEU B 46 7.683 4.988 3.709 1.00 43.35 C ATOM 1979 O LEU B 46 8.365 5.810 4.337 1.00 52.11 O ATOM 1980 CB LEU B 46 8.742 3.655 1.789 1.00 34.42 C ATOM 1981 CG LEU B 46 9.520 2.391 1.313 1.00 63.11 C ATOM 1982 CD1 LEU B 46 9.789 2.415 -0.204 1.00 52.31 C ATOM 1983 CD2 LEU B 46 10.829 2.216 2.121 1.00 25.33 C ATOM 0 H LEU B 46 6.866 2.201 2.594 1.00 52.13 H new ATOM 0 HA LEU B 46 9.150 3.446 3.899 1.00 20.24 H new ATOM 0 HB2 LEU B 46 7.866 3.784 1.153 1.00 34.42 H new ATOM 0 HB3 LEU B 46 9.375 4.530 1.641 1.00 34.42 H new ATOM 0 HG LEU B 46 8.887 1.524 1.504 1.00 63.11 H new ATOM 0 HD11 LEU B 46 10.333 1.515 -0.491 1.00 52.31 H new ATOM 0 HD12 LEU B 46 8.841 2.453 -0.741 1.00 52.31 H new ATOM 0 HD13 LEU B 46 10.383 3.294 -0.454 1.00 52.31 H new ATOM 0 HD21 LEU B 46 11.356 1.328 1.772 1.00 25.33 H new ATOM 0 HD22 LEU B 46 11.463 3.092 1.982 1.00 25.33 H new ATOM 0 HD23 LEU B 46 10.591 2.105 3.179 1.00 25.33 H new ATOM 1995 N ALA B 47 6.398 5.210 3.356 1.00 1.14 N ATOM 1996 CA ALA B 47 5.642 6.461 3.649 1.00 14.13 C ATOM 1997 C ALA B 47 5.493 6.754 5.164 1.00 70.31 C ATOM 1998 O ALA B 47 5.355 7.918 5.547 1.00 51.54 O ATOM 1999 CB ALA B 47 4.258 6.414 2.971 1.00 11.14 C ATOM 0 H ALA B 47 5.843 4.519 2.852 1.00 1.14 H new ATOM 0 HA ALA B 47 6.229 7.282 3.238 1.00 14.13 H new ATOM 0 HB1 ALA B 47 3.714 7.332 3.191 1.00 11.14 H new ATOM 0 HB2 ALA B 47 4.384 6.317 1.893 1.00 11.14 H new ATOM 0 HB3 ALA B 47 3.696 5.560 3.349 1.00 11.14 H new ATOM 2005 N ARG B 48 5.519 5.700 6.012 1.00 22.05 N ATOM 2006 CA ARG B 48 5.500 5.858 7.496 1.00 71.14 C ATOM 2007 C ARG B 48 6.686 6.742 8.002 1.00 1.11 C ATOM 2008 O ARG B 48 6.568 7.443 9.004 1.00 75.44 O ATOM 2009 CB ARG B 48 5.534 4.471 8.205 1.00 71.23 C ATOM 2010 CG ARG B 48 6.854 3.699 8.028 1.00 23.24 C ATOM 2011 CD ARG B 48 6.944 2.383 8.826 1.00 3.15 C ATOM 2012 NE ARG B 48 8.192 1.660 8.487 1.00 60.33 N ATOM 2013 CZ ARG B 48 9.142 1.294 9.329 1.00 14.14 C ATOM 2014 NH1 ARG B 48 9.067 1.548 10.599 1.00 63.41 N ATOM 2015 NH2 ARG B 48 10.190 0.691 8.867 1.00 71.44 N ATOM 0 H ARG B 48 5.553 4.729 5.700 1.00 22.05 H new ATOM 0 HA ARG B 48 4.568 6.364 7.749 1.00 71.14 H new ATOM 0 HB2 ARG B 48 5.352 4.616 9.270 1.00 71.23 H new ATOM 0 HB3 ARG B 48 4.716 3.861 7.822 1.00 71.23 H new ATOM 0 HG2 ARG B 48 6.989 3.476 6.970 1.00 23.24 H new ATOM 0 HG3 ARG B 48 7.680 4.345 8.326 1.00 23.24 H new ATOM 0 HD2 ARG B 48 6.918 2.595 9.895 1.00 3.15 H new ATOM 0 HD3 ARG B 48 6.081 1.756 8.604 1.00 3.15 H new ATOM 0 HE ARG B 48 8.332 1.421 7.505 1.00 60.33 H new ATOM 0 HH11 ARG B 48 8.258 2.044 10.973 1.00 63.41 H new ATOM 0 HH12 ARG B 48 9.817 1.252 11.223 1.00 63.41 H new ATOM 0 HH21 ARG B 48 10.273 0.506 7.867 1.00 71.44 H new ATOM 0 HH22 ARG B 48 10.933 0.401 9.503 1.00 71.44 H new ATOM 2029 N GLU B 49 7.828 6.681 7.285 1.00 63.33 N ATOM 2030 CA GLU B 49 9.055 7.470 7.593 1.00 1.20 C ATOM 2031 C GLU B 49 9.265 8.629 6.580 1.00 31.23 C ATOM 2032 O GLU B 49 10.270 9.349 6.663 1.00 50.34 O ATOM 2033 CB GLU B 49 10.282 6.522 7.563 1.00 2.31 C ATOM 2034 CG GLU B 49 10.221 5.353 8.561 1.00 25.34 C ATOM 2035 CD GLU B 49 11.371 4.352 8.370 1.00 5.25 C ATOM 2036 OE1 GLU B 49 11.228 3.428 7.540 1.00 73.54 O ATOM 2037 OE2 GLU B 49 12.429 4.503 9.026 1.00 30.31 O ATOM 0 H GLU B 49 7.932 6.080 6.468 1.00 63.33 H new ATOM 0 HA GLU B 49 8.939 7.914 8.582 1.00 1.20 H new ATOM 0 HB2 GLU B 49 10.385 6.117 6.557 1.00 2.31 H new ATOM 0 HB3 GLU B 49 11.180 7.107 7.765 1.00 2.31 H new ATOM 0 HG2 GLU B 49 10.251 5.746 9.577 1.00 25.34 H new ATOM 0 HG3 GLU B 49 9.269 4.833 8.448 1.00 25.34 H new ATOM 2044 N ASN B 50 8.317 8.765 5.623 1.00 4.02 N ATOM 2045 CA ASN B 50 8.349 9.773 4.527 1.00 51.11 C ATOM 2046 C ASN B 50 9.524 9.507 3.531 1.00 42.24 C ATOM 2047 O ASN B 50 9.931 10.390 2.783 1.00 41.13 O ATOM 2048 CB ASN B 50 8.366 11.230 5.113 1.00 15.13 C ATOM 2049 CG ASN B 50 7.916 12.316 4.121 1.00 55.10 C ATOM 2050 OD1 ASN B 50 8.843 12.886 3.375 1.00 55.45 O flip ATOM 2051 ND2 ASN B 50 6.733 12.637 4.031 1.00 70.12 N flip ATOM 0 H ASN B 50 7.491 8.168 5.587 1.00 4.02 H new ATOM 0 HA ASN B 50 7.433 9.673 3.944 1.00 51.11 H new ATOM 0 HB2 ASN B 50 7.719 11.264 5.989 1.00 15.13 H new ATOM 0 HB3 ASN B 50 9.376 11.461 5.453 1.00 15.13 H new ATOM 0 HD21 ASN B 50 6.035 12.182 4.619 1.00 70.12 H new ATOM 0 HD22 ASN B 50 6.449 13.359 3.368 1.00 70.12 H new ATOM 2058 N LYS B 51 10.002 8.239 3.477 1.00 74.42 N ATOM 2059 CA LYS B 51 11.103 7.826 2.560 1.00 54.00 C ATOM 2060 C LYS B 51 10.656 7.866 1.079 1.00 2.34 C ATOM 2061 O LYS B 51 11.485 7.851 0.163 1.00 34.52 O ATOM 2062 CB LYS B 51 11.607 6.405 2.921 1.00 13.23 C ATOM 2063 CG LYS B 51 12.125 6.261 4.365 1.00 41.13 C ATOM 2064 CD LYS B 51 12.709 4.860 4.669 1.00 62.20 C ATOM 2065 CE LYS B 51 14.000 4.567 3.881 1.00 1.14 C ATOM 2066 NZ LYS B 51 14.555 3.227 4.191 1.00 0.24 N ATOM 0 H LYS B 51 9.644 7.481 4.058 1.00 74.42 H new ATOM 0 HA LYS B 51 11.918 8.539 2.687 1.00 54.00 H new ATOM 0 HB2 LYS B 51 10.795 5.695 2.767 1.00 13.23 H new ATOM 0 HB3 LYS B 51 12.406 6.130 2.232 1.00 13.23 H new ATOM 0 HG2 LYS B 51 12.892 7.014 4.545 1.00 41.13 H new ATOM 0 HG3 LYS B 51 11.309 6.465 5.058 1.00 41.13 H new ATOM 0 HD2 LYS B 51 12.915 4.781 5.737 1.00 62.20 H new ATOM 0 HD3 LYS B 51 11.963 4.101 4.431 1.00 62.20 H new ATOM 0 HE2 LYS B 51 13.795 4.635 2.813 1.00 1.14 H new ATOM 0 HE3 LYS B 51 14.745 5.329 4.111 1.00 1.14 H new ATOM 0 HZ1 LYS B 51 15.422 3.074 3.638 1.00 0.24 H new ATOM 0 HZ2 LYS B 51 14.776 3.169 5.206 1.00 0.24 H new ATOM 0 HZ3 LYS B 51 13.856 2.497 3.947 1.00 0.24 H new ATOM 2080 N VAL B 52 9.330 7.889 0.879 1.00 53.42 N ATOM 2081 CA VAL B 52 8.684 8.126 -0.421 1.00 43.22 C ATOM 2082 C VAL B 52 7.679 9.285 -0.299 1.00 23.44 C ATOM 2083 O VAL B 52 7.170 9.585 0.792 1.00 4.23 O ATOM 2084 CB VAL B 52 7.932 6.853 -0.952 1.00 62.35 C ATOM 2085 CG1 VAL B 52 8.919 5.705 -1.244 1.00 64.11 C ATOM 2086 CG2 VAL B 52 6.818 6.409 0.028 1.00 52.52 C ATOM 0 H VAL B 52 8.661 7.740 1.634 1.00 53.42 H new ATOM 0 HA VAL B 52 9.472 8.374 -1.132 1.00 43.22 H new ATOM 0 HB VAL B 52 7.451 7.119 -1.893 1.00 62.35 H new ATOM 0 HG11 VAL B 52 8.370 4.837 -1.610 1.00 64.11 H new ATOM 0 HG12 VAL B 52 9.637 6.025 -1.999 1.00 64.11 H new ATOM 0 HG13 VAL B 52 9.449 5.440 -0.329 1.00 64.11 H new ATOM 0 HG21 VAL B 52 6.316 5.526 -0.368 1.00 52.52 H new ATOM 0 HG22 VAL B 52 7.258 6.173 0.997 1.00 52.52 H new ATOM 0 HG23 VAL B 52 6.094 7.215 0.146 1.00 52.52 H new ATOM 2096 N VAL B 53 7.419 9.930 -1.431 1.00 4.34 N ATOM 2097 CA VAL B 53 6.391 10.970 -1.571 1.00 71.44 C ATOM 2098 C VAL B 53 5.313 10.483 -2.547 1.00 11.35 C ATOM 2099 O VAL B 53 5.629 10.027 -3.642 1.00 53.32 O ATOM 2100 CB VAL B 53 7.015 12.301 -2.102 1.00 51.23 C ATOM 2101 CG1 VAL B 53 5.931 13.398 -2.292 1.00 33.21 C ATOM 2102 CG2 VAL B 53 8.165 12.765 -1.169 1.00 71.21 C ATOM 0 H VAL B 53 7.924 9.745 -2.298 1.00 4.34 H new ATOM 0 HA VAL B 53 5.951 11.163 -0.593 1.00 71.44 H new ATOM 0 HB VAL B 53 7.443 12.116 -3.087 1.00 51.23 H new ATOM 0 HG11 VAL B 53 6.398 14.311 -2.662 1.00 33.21 H new ATOM 0 HG12 VAL B 53 5.187 13.054 -3.011 1.00 33.21 H new ATOM 0 HG13 VAL B 53 5.446 13.600 -1.337 1.00 33.21 H new ATOM 0 HG21 VAL B 53 8.591 13.693 -1.550 1.00 71.21 H new ATOM 0 HG22 VAL B 53 7.775 12.931 -0.165 1.00 71.21 H new ATOM 0 HG23 VAL B 53 8.938 11.998 -1.136 1.00 71.21 H new ATOM 2112 N ILE B 54 4.043 10.575 -2.147 1.00 52.55 N ATOM 2113 CA ILE B 54 2.910 10.108 -2.961 1.00 62.54 C ATOM 2114 C ILE B 54 1.946 11.283 -3.248 1.00 22.03 C ATOM 2115 O ILE B 54 1.312 11.831 -2.340 1.00 54.42 O ATOM 2116 CB ILE B 54 2.178 8.924 -2.236 1.00 72.52 C ATOM 2117 CG1 ILE B 54 3.164 7.722 -2.047 1.00 42.25 C ATOM 2118 CG2 ILE B 54 0.893 8.497 -2.975 1.00 42.24 C ATOM 2119 CD1 ILE B 54 2.629 6.578 -1.218 1.00 5.31 C ATOM 0 H ILE B 54 3.767 10.975 -1.250 1.00 52.55 H new ATOM 0 HA ILE B 54 3.278 9.736 -3.917 1.00 62.54 H new ATOM 0 HB ILE B 54 1.863 9.272 -1.252 1.00 72.52 H new ATOM 0 HG12 ILE B 54 3.439 7.340 -3.030 1.00 42.25 H new ATOM 0 HG13 ILE B 54 4.078 8.092 -1.581 1.00 42.25 H new ATOM 0 HG21 ILE B 54 0.420 7.675 -2.437 1.00 42.24 H new ATOM 0 HG22 ILE B 54 0.205 9.341 -3.026 1.00 42.24 H new ATOM 0 HG23 ILE B 54 1.145 8.173 -3.985 1.00 42.24 H new ATOM 0 HD11 ILE B 54 3.385 5.796 -1.146 1.00 5.31 H new ATOM 0 HD12 ILE B 54 2.382 6.937 -0.219 1.00 5.31 H new ATOM 0 HD13 ILE B 54 1.734 6.174 -1.690 1.00 5.31 H new ATOM 2131 N GLU B 55 1.884 11.665 -4.531 1.00 2.41 N ATOM 2132 CA GLU B 55 1.022 12.753 -5.043 1.00 24.22 C ATOM 2133 C GLU B 55 0.436 12.345 -6.417 1.00 70.33 C ATOM 2134 O GLU B 55 1.173 11.931 -7.322 1.00 72.03 O ATOM 2135 CB GLU B 55 1.810 14.118 -5.115 1.00 64.54 C ATOM 2136 CG GLU B 55 3.346 13.994 -5.269 1.00 3.20 C ATOM 2137 CD GLU B 55 4.101 15.341 -5.143 1.00 53.30 C ATOM 2138 OE1 GLU B 55 4.123 15.920 -4.027 1.00 52.50 O ATOM 2139 OE2 GLU B 55 4.682 15.815 -6.148 1.00 14.01 O ATOM 0 H GLU B 55 2.441 11.221 -5.261 1.00 2.41 H new ATOM 0 HA GLU B 55 0.194 12.910 -4.352 1.00 24.22 H new ATOM 0 HB2 GLU B 55 1.424 14.697 -5.954 1.00 64.54 H new ATOM 0 HB3 GLU B 55 1.598 14.688 -4.210 1.00 64.54 H new ATOM 0 HG2 GLU B 55 3.723 13.306 -4.512 1.00 3.20 H new ATOM 0 HG3 GLU B 55 3.569 13.553 -6.241 1.00 3.20 H new ATOM 2146 N ARG B 56 -0.905 12.441 -6.550 1.00 0.05 N ATOM 2147 CA ARG B 56 -1.617 12.081 -7.793 1.00 53.00 C ATOM 2148 C ARG B 56 -1.553 13.232 -8.818 1.00 64.21 C ATOM 2149 O ARG B 56 -2.152 14.298 -8.630 1.00 34.33 O ATOM 2150 CB ARG B 56 -3.091 11.671 -7.502 1.00 20.34 C ATOM 2151 CG ARG B 56 -3.245 10.332 -6.733 1.00 73.31 C ATOM 2152 CD ARG B 56 -4.703 9.821 -6.695 1.00 44.20 C ATOM 2153 NE ARG B 56 -4.801 8.466 -6.106 1.00 44.55 N ATOM 2154 CZ ARG B 56 -4.689 7.323 -6.770 1.00 15.10 C ATOM 2155 NH1 ARG B 56 -4.462 7.294 -8.050 1.00 52.22 N ATOM 2156 NH2 ARG B 56 -4.789 6.198 -6.140 1.00 41.41 N ATOM 0 H ARG B 56 -1.519 12.768 -5.804 1.00 0.05 H new ATOM 0 HA ARG B 56 -1.114 11.216 -8.226 1.00 53.00 H new ATOM 0 HB2 ARG B 56 -3.569 12.464 -6.926 1.00 20.34 H new ATOM 0 HB3 ARG B 56 -3.628 11.596 -8.448 1.00 20.34 H new ATOM 0 HG2 ARG B 56 -2.613 9.577 -7.200 1.00 73.31 H new ATOM 0 HG3 ARG B 56 -2.885 10.462 -5.712 1.00 73.31 H new ATOM 0 HD2 ARG B 56 -5.315 10.513 -6.116 1.00 44.20 H new ATOM 0 HD3 ARG B 56 -5.109 9.807 -7.707 1.00 44.20 H new ATOM 0 HE ARG B 56 -4.969 8.406 -5.102 1.00 44.55 H new ATOM 0 HH11 ARG B 56 -4.365 8.166 -8.571 1.00 52.22 H new ATOM 0 HH12 ARG B 56 -4.381 6.400 -8.533 1.00 52.22 H new ATOM 0 HH21 ARG B 56 -4.954 6.190 -5.133 1.00 41.41 H new ATOM 0 HH22 ARG B 56 -4.703 5.319 -6.650 1.00 41.41 H new ATOM 2170 N LYS B 57 -0.822 12.984 -9.909 1.00 60.12 N ATOM 2171 CA LYS B 57 -0.592 13.953 -11.003 1.00 34.13 C ATOM 2172 C LYS B 57 -1.493 13.601 -12.208 1.00 65.24 C ATOM 2173 O LYS B 57 -1.331 12.544 -12.826 1.00 63.34 O ATOM 2174 CB LYS B 57 0.930 13.959 -11.390 1.00 72.24 C ATOM 2175 CG LYS B 57 1.759 15.104 -10.759 1.00 15.43 C ATOM 2176 CD LYS B 57 1.650 15.159 -9.216 1.00 11.21 C ATOM 2177 CE LYS B 57 2.422 16.343 -8.615 1.00 12.43 C ATOM 2178 NZ LYS B 57 3.891 16.221 -8.818 1.00 63.45 N ATOM 0 H LYS B 57 -0.361 12.088 -10.067 1.00 60.12 H new ATOM 0 HA LYS B 57 -0.856 14.958 -10.675 1.00 34.13 H new ATOM 0 HB2 LYS B 57 1.369 13.006 -11.094 1.00 72.24 H new ATOM 0 HB3 LYS B 57 1.014 14.025 -12.475 1.00 72.24 H new ATOM 0 HG2 LYS B 57 2.806 14.982 -11.038 1.00 15.43 H new ATOM 0 HG3 LYS B 57 1.427 16.056 -11.174 1.00 15.43 H new ATOM 0 HD2 LYS B 57 0.600 15.231 -8.931 1.00 11.21 H new ATOM 0 HD3 LYS B 57 2.031 14.229 -8.794 1.00 11.21 H new ATOM 0 HE2 LYS B 57 2.071 17.270 -9.068 1.00 12.43 H new ATOM 0 HE3 LYS B 57 2.209 16.409 -7.548 1.00 12.43 H new ATOM 0 HZ1 LYS B 57 4.364 16.149 -7.895 1.00 63.45 H new ATOM 0 HZ2 LYS B 57 4.094 15.369 -9.379 1.00 63.45 H new ATOM 0 HZ3 LYS B 57 4.243 17.060 -9.323 1.00 63.45 H new ATOM 2192 N ASN B 58 -2.444 14.523 -12.520 1.00 51.55 N ATOM 2193 CA ASN B 58 -3.585 14.290 -13.457 1.00 52.33 C ATOM 2194 C ASN B 58 -4.411 13.033 -13.060 1.00 40.14 C ATOM 2195 O ASN B 58 -5.004 12.358 -13.905 1.00 13.40 O ATOM 2196 CB ASN B 58 -3.087 14.216 -14.929 1.00 42.12 C ATOM 2197 CG ASN B 58 -2.360 15.493 -15.370 1.00 43.11 C ATOM 2198 OD1 ASN B 58 -2.970 16.435 -15.864 1.00 64.03 O ATOM 2199 ND2 ASN B 58 -1.050 15.535 -15.193 1.00 30.32 N ATOM 0 H ASN B 58 -2.442 15.463 -12.124 1.00 51.55 H new ATOM 0 HA ASN B 58 -4.259 15.143 -13.379 1.00 52.33 H new ATOM 0 HB2 ASN B 58 -2.416 13.364 -15.040 1.00 42.12 H new ATOM 0 HB3 ASN B 58 -3.937 14.040 -15.588 1.00 42.12 H new ATOM 0 HD21 ASN B 58 -0.524 16.364 -15.470 1.00 30.32 H new ATOM 0 HD22 ASN B 58 -0.565 14.738 -14.780 1.00 30.32 H new ATOM 2206 N GLY B 59 -4.467 12.765 -11.739 1.00 24.12 N ATOM 2207 CA GLY B 59 -5.127 11.568 -11.190 1.00 32.01 C ATOM 2208 C GLY B 59 -4.189 10.352 -11.066 1.00 60.30 C ATOM 2209 O GLY B 59 -4.381 9.499 -10.187 1.00 12.41 O ATOM 0 H GLY B 59 -4.057 13.371 -11.028 1.00 24.12 H new ATOM 0 HA2 GLY B 59 -5.533 11.805 -10.207 1.00 32.01 H new ATOM 0 HA3 GLY B 59 -5.970 11.303 -11.828 1.00 32.01 H new ATOM 2213 N LEU B 60 -3.159 10.283 -11.932 1.00 52.02 N ATOM 2214 CA LEU B 60 -2.190 9.164 -11.955 1.00 3.01 C ATOM 2215 C LEU B 60 -1.197 9.291 -10.779 1.00 5.12 C ATOM 2216 O LEU B 60 -0.438 10.257 -10.694 1.00 71.33 O ATOM 2217 CB LEU B 60 -1.420 9.108 -13.315 1.00 75.12 C ATOM 2218 CG LEU B 60 -2.236 8.686 -14.586 1.00 34.13 C ATOM 2219 CD1 LEU B 60 -3.003 7.370 -14.352 1.00 72.31 C ATOM 2220 CD2 LEU B 60 -3.167 9.814 -15.082 1.00 2.31 C ATOM 0 H LEU B 60 -2.974 10.999 -12.635 1.00 52.02 H new ATOM 0 HA LEU B 60 -2.748 8.234 -11.848 1.00 3.01 H new ATOM 0 HB2 LEU B 60 -0.991 10.093 -13.501 1.00 75.12 H new ATOM 0 HB3 LEU B 60 -0.587 8.414 -13.203 1.00 75.12 H new ATOM 0 HG LEU B 60 -1.515 8.505 -15.383 1.00 34.13 H new ATOM 0 HD11 LEU B 60 -3.558 7.107 -15.253 1.00 72.31 H new ATOM 0 HD12 LEU B 60 -2.297 6.574 -14.115 1.00 72.31 H new ATOM 0 HD13 LEU B 60 -3.698 7.497 -13.522 1.00 72.31 H new ATOM 0 HD21 LEU B 60 -3.711 9.475 -15.964 1.00 2.31 H new ATOM 0 HD22 LEU B 60 -3.876 10.073 -14.295 1.00 2.31 H new ATOM 0 HD23 LEU B 60 -2.572 10.691 -15.338 1.00 2.31 H new ATOM 2232 N ILE B 61 -1.224 8.298 -9.883 1.00 12.24 N ATOM 2233 CA ILE B 61 -0.433 8.297 -8.641 1.00 25.55 C ATOM 2234 C ILE B 61 1.079 8.055 -8.921 1.00 42.31 C ATOM 2235 O ILE B 61 1.485 6.992 -9.407 1.00 24.40 O ATOM 2236 CB ILE B 61 -1.025 7.239 -7.640 1.00 15.15 C ATOM 2237 CG1 ILE B 61 -0.318 7.282 -6.258 1.00 4.20 C ATOM 2238 CG2 ILE B 61 -1.007 5.811 -8.232 1.00 63.25 C ATOM 2239 CD1 ILE B 61 -1.003 6.437 -5.195 1.00 4.34 C ATOM 0 H ILE B 61 -1.800 7.464 -9.998 1.00 12.24 H new ATOM 0 HA ILE B 61 -0.502 9.283 -8.181 1.00 25.55 H new ATOM 0 HB ILE B 61 -2.067 7.515 -7.480 1.00 15.15 H new ATOM 0 HG12 ILE B 61 0.710 6.940 -6.375 1.00 4.20 H new ATOM 0 HG13 ILE B 61 -0.273 8.316 -5.915 1.00 4.20 H new ATOM 0 HG21 ILE B 61 -1.425 5.112 -7.508 1.00 63.25 H new ATOM 0 HG22 ILE B 61 -1.603 5.788 -9.144 1.00 63.25 H new ATOM 0 HG23 ILE B 61 0.019 5.525 -8.462 1.00 63.25 H new ATOM 0 HD11 ILE B 61 -0.453 6.516 -4.257 1.00 4.34 H new ATOM 0 HD12 ILE B 61 -2.023 6.793 -5.049 1.00 4.34 H new ATOM 0 HD13 ILE B 61 -1.025 5.396 -5.516 1.00 4.34 H new ATOM 2251 N GLU B 62 1.909 9.076 -8.642 1.00 11.31 N ATOM 2252 CA GLU B 62 3.365 9.023 -8.906 1.00 14.11 C ATOM 2253 C GLU B 62 4.143 9.119 -7.583 1.00 34.02 C ATOM 2254 O GLU B 62 3.910 10.024 -6.772 1.00 23.32 O ATOM 2255 CB GLU B 62 3.796 10.154 -9.877 1.00 64.03 C ATOM 2256 CG GLU B 62 3.027 10.192 -11.219 1.00 25.22 C ATOM 2257 CD GLU B 62 2.999 8.845 -11.980 1.00 34.42 C ATOM 2258 OE1 GLU B 62 4.079 8.316 -12.329 1.00 11.13 O ATOM 2259 OE2 GLU B 62 1.894 8.313 -12.245 1.00 12.15 O ATOM 0 H GLU B 62 1.597 9.956 -8.231 1.00 11.31 H new ATOM 0 HA GLU B 62 3.595 8.070 -9.382 1.00 14.11 H new ATOM 0 HB2 GLU B 62 3.667 11.113 -9.374 1.00 64.03 H new ATOM 0 HB3 GLU B 62 4.860 10.045 -10.088 1.00 64.03 H new ATOM 0 HG2 GLU B 62 2.002 10.508 -11.027 1.00 25.22 H new ATOM 0 HG3 GLU B 62 3.479 10.948 -11.861 1.00 25.22 H new ATOM 2266 N ILE B 63 5.054 8.159 -7.371 1.00 23.52 N ATOM 2267 CA ILE B 63 5.864 8.062 -6.150 1.00 22.34 C ATOM 2268 C ILE B 63 7.220 8.773 -6.387 1.00 61.30 C ATOM 2269 O ILE B 63 8.110 8.237 -7.058 1.00 33.23 O ATOM 2270 CB ILE B 63 6.073 6.551 -5.697 1.00 13.24 C ATOM 2271 CG1 ILE B 63 4.721 5.870 -5.261 1.00 23.10 C ATOM 2272 CG2 ILE B 63 7.111 6.443 -4.551 1.00 1.45 C ATOM 2273 CD1 ILE B 63 3.706 5.619 -6.361 1.00 0.02 C ATOM 0 H ILE B 63 5.251 7.422 -8.048 1.00 23.52 H new ATOM 0 HA ILE B 63 5.334 8.556 -5.336 1.00 22.34 H new ATOM 0 HB ILE B 63 6.454 6.018 -6.568 1.00 13.24 H new ATOM 0 HG12 ILE B 63 4.956 4.916 -4.789 1.00 23.10 H new ATOM 0 HG13 ILE B 63 4.253 6.495 -4.501 1.00 23.10 H new ATOM 0 HG21 ILE B 63 7.230 5.398 -4.265 1.00 1.45 H new ATOM 0 HG22 ILE B 63 8.069 6.838 -4.889 1.00 1.45 H new ATOM 0 HG23 ILE B 63 6.765 7.017 -3.691 1.00 1.45 H new ATOM 0 HD11 ILE B 63 2.819 5.147 -5.937 1.00 0.02 H new ATOM 0 HD12 ILE B 63 3.428 6.567 -6.822 1.00 0.02 H new ATOM 0 HD13 ILE B 63 4.141 4.963 -7.115 1.00 0.02 H new ATOM 2285 N TYR B 64 7.336 10.002 -5.853 1.00 41.11 N ATOM 2286 CA TYR B 64 8.562 10.830 -5.925 1.00 3.41 C ATOM 2287 C TYR B 64 9.523 10.545 -4.747 1.00 31.42 C ATOM 2288 O TYR B 64 9.184 9.830 -3.802 1.00 32.25 O ATOM 2289 CB TYR B 64 8.194 12.339 -5.936 1.00 52.14 C ATOM 2290 CG TYR B 64 7.396 12.803 -7.165 1.00 72.25 C ATOM 2291 CD1 TYR B 64 6.018 12.602 -7.248 1.00 1.03 C ATOM 2292 CD2 TYR B 64 8.022 13.443 -8.242 1.00 12.43 C ATOM 2293 CE1 TYR B 64 5.293 13.029 -8.344 1.00 0.11 C ATOM 2294 CE2 TYR B 64 7.298 13.875 -9.339 1.00 15.15 C ATOM 2295 CZ TYR B 64 5.935 13.658 -9.389 1.00 33.04 C ATOM 2296 OH TYR B 64 5.205 14.095 -10.477 1.00 51.21 O ATOM 0 H TYR B 64 6.573 10.458 -5.352 1.00 41.11 H new ATOM 0 HA TYR B 64 9.073 10.567 -6.851 1.00 3.41 H new ATOM 0 HB2 TYR B 64 7.615 12.563 -5.040 1.00 52.14 H new ATOM 0 HB3 TYR B 64 9.113 12.922 -5.876 1.00 52.14 H new ATOM 0 HD1 TYR B 64 5.507 12.102 -6.438 1.00 1.03 H new ATOM 0 HD2 TYR B 64 9.090 13.602 -8.216 1.00 12.43 H new ATOM 0 HE1 TYR B 64 4.225 12.870 -8.382 1.00 0.11 H new ATOM 0 HE2 TYR B 64 7.797 14.380 -10.153 1.00 15.15 H new ATOM 0 HH TYR B 64 5.806 14.518 -11.125 1.00 51.21 H new ATOM 2306 N ASN B 65 10.736 11.108 -4.842 1.00 34.20 N ATOM 2307 CA ASN B 65 11.787 10.987 -3.806 1.00 1.20 C ATOM 2308 C ASN B 65 11.604 12.075 -2.712 1.00 31.45 C ATOM 2309 O ASN B 65 11.172 13.187 -3.022 1.00 44.05 O ATOM 2310 CB ASN B 65 13.169 11.130 -4.501 1.00 4.45 C ATOM 2311 CG ASN B 65 14.342 10.711 -3.628 1.00 72.22 C ATOM 2312 OD1 ASN B 65 14.904 11.506 -2.884 1.00 33.23 O ATOM 2313 ND2 ASN B 65 14.728 9.456 -3.716 1.00 44.23 N ATOM 0 H ASN B 65 11.024 11.667 -5.645 1.00 34.20 H new ATOM 0 HA ASN B 65 11.718 10.017 -3.314 1.00 1.20 H new ATOM 0 HB2 ASN B 65 13.172 10.529 -5.410 1.00 4.45 H new ATOM 0 HB3 ASN B 65 13.307 12.168 -4.805 1.00 4.45 H new ATOM 0 HD21 ASN B 65 15.513 9.124 -3.156 1.00 44.23 H new ATOM 0 HD22 ASN B 65 14.242 8.816 -4.344 1.00 44.23 H new ATOM 2320 N GLU B 66 11.952 11.756 -1.438 1.00 70.41 N ATOM 2321 CA GLU B 66 11.888 12.733 -0.302 1.00 70.24 C ATOM 2322 C GLU B 66 12.757 14.006 -0.553 1.00 33.54 C ATOM 2323 O GLU B 66 12.490 15.079 0.012 1.00 34.34 O ATOM 2324 CB GLU B 66 12.305 12.045 1.029 1.00 74.23 C ATOM 2325 CG GLU B 66 12.218 12.953 2.285 1.00 34.33 C ATOM 2326 CD GLU B 66 12.588 12.248 3.607 1.00 32.25 C ATOM 2327 OE1 GLU B 66 13.770 11.874 3.783 1.00 11.04 O ATOM 2328 OE2 GLU B 66 11.707 12.076 4.480 1.00 61.15 O ATOM 0 H GLU B 66 12.281 10.830 -1.164 1.00 70.41 H new ATOM 0 HA GLU B 66 10.853 13.066 -0.228 1.00 70.24 H new ATOM 0 HB2 GLU B 66 11.672 11.172 1.184 1.00 74.23 H new ATOM 0 HB3 GLU B 66 13.328 11.683 0.930 1.00 74.23 H new ATOM 0 HG2 GLU B 66 12.879 13.809 2.146 1.00 34.33 H new ATOM 0 HG3 GLU B 66 11.204 13.343 2.367 1.00 34.33 H new