USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.4) USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 SER OG : rot -170:sc= -0.752 USER MOD Set 2.2: A 93 ASN : amide:sc= -1.45 K(o=-2.2,f=-4.4!) USER MOD Set 3.1: A 65 ASN : amide:sc= -2.54 K(o=-2.5,f=-3.1!) USER MOD Set 3.2: A 68 THR OG1 : rot -170:sc= 0.0485 USER MOD Set 4.1: A 50 LYS NZ :NH3+ 170:sc= -0.0442 (180deg=0) USER MOD Set 4.2: A 52 GLN : amide:sc= -0.0401 X(o=-0.084,f=0.069) USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0469 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 14 TYR OH : rot 90:sc= 0.488 USER MOD Single : A 15 SER OG : rot 27:sc= 0.904 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 102:sc= -1.5 USER MOD Single : A 20 SER OG : rot -160:sc= -0.663 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.13 USER MOD Single : A 33 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.47) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 64 SER OG : rot -176:sc= -0.99 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -65:sc= 0.227! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.9) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 164:sc= -0.434 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 102 GLN : amide:sc= 0.283 K(o=0.28,f=-0.66) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.780 -15.931 -1.034 1.00 0.00 N ATOM 2 CA GLY A 1 -22.978 -16.195 0.146 1.00 0.00 C ATOM 3 C GLY A 1 -22.939 -17.668 0.502 1.00 0.00 C ATOM 4 O GLY A 1 -23.845 -18.423 0.149 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.344 -15.070 -0.885 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.156 -15.799 -1.855 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.416 -16.735 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.962 -15.838 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.379 -15.631 0.988 1.00 0.00 H new ATOM 8 N SER A 2 -21.887 -18.078 1.203 1.00 0.00 N ATOM 9 CA SER A 2 -21.731 -19.472 1.602 1.00 0.00 C ATOM 10 C SER A 2 -20.583 -19.627 2.595 1.00 0.00 C ATOM 11 O SER A 2 -19.632 -18.845 2.589 1.00 0.00 O ATOM 12 CB SER A 2 -21.482 -20.352 0.375 1.00 0.00 C ATOM 13 OG SER A 2 -21.066 -21.652 0.756 1.00 0.00 O ATOM 0 H SER A 2 -21.130 -17.465 1.506 1.00 0.00 H new ATOM 0 HA SER A 2 -22.654 -19.791 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.393 -20.418 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.721 -19.894 -0.257 1.00 0.00 H new ATOM 0 HG SER A 2 -20.915 -22.195 -0.046 1.00 0.00 H new ATOM 19 N SER A 3 -20.678 -20.644 3.446 1.00 0.00 N ATOM 20 CA SER A 3 -19.650 -20.901 4.448 1.00 0.00 C ATOM 21 C SER A 3 -18.985 -22.253 4.209 1.00 0.00 C ATOM 22 O SER A 3 -19.547 -23.299 4.530 1.00 0.00 O ATOM 23 CB SER A 3 -20.255 -20.858 5.853 1.00 0.00 C ATOM 24 OG SER A 3 -20.565 -19.529 6.234 1.00 0.00 O ATOM 0 H SER A 3 -21.456 -21.303 3.462 1.00 0.00 H new ATOM 0 HA SER A 3 -18.892 -20.123 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.158 -21.468 5.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.555 -21.291 6.567 1.00 0.00 H new ATOM 0 HG SER A 3 -20.952 -19.529 7.134 1.00 0.00 H new ATOM 30 N GLY A 4 -17.782 -22.222 3.643 1.00 0.00 N ATOM 31 CA GLY A 4 -17.059 -23.450 3.370 1.00 0.00 C ATOM 32 C GLY A 4 -15.597 -23.204 3.052 1.00 0.00 C ATOM 33 O GLY A 4 -14.903 -22.507 3.792 1.00 0.00 O ATOM 0 H GLY A 4 -17.296 -21.368 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.134 -24.111 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.528 -23.966 2.532 1.00 0.00 H new ATOM 37 N SER A 5 -15.128 -23.778 1.948 1.00 0.00 N ATOM 38 CA SER A 5 -13.738 -23.621 1.537 1.00 0.00 C ATOM 39 C SER A 5 -13.469 -22.197 1.062 1.00 0.00 C ATOM 40 O SER A 5 -13.528 -21.908 -0.134 1.00 0.00 O ATOM 41 CB SER A 5 -13.398 -24.615 0.425 1.00 0.00 C ATOM 42 OG SER A 5 -12.030 -24.982 0.469 1.00 0.00 O ATOM 0 H SER A 5 -15.690 -24.356 1.323 1.00 0.00 H new ATOM 0 HA SER A 5 -13.105 -23.822 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.020 -25.505 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.628 -24.173 -0.545 1.00 0.00 H new ATOM 0 HG SER A 5 -11.839 -25.619 -0.251 1.00 0.00 H new ATOM 48 N SER A 6 -13.174 -21.310 2.007 1.00 0.00 N ATOM 49 CA SER A 6 -12.899 -19.914 1.686 1.00 0.00 C ATOM 50 C SER A 6 -11.517 -19.504 2.185 1.00 0.00 C ATOM 51 O SER A 6 -10.881 -20.227 2.951 1.00 0.00 O ATOM 52 CB SER A 6 -13.966 -19.008 2.303 1.00 0.00 C ATOM 53 OG SER A 6 -15.181 -19.084 1.578 1.00 0.00 O ATOM 0 H SER A 6 -13.119 -21.533 3.001 1.00 0.00 H new ATOM 0 HA SER A 6 -12.922 -19.804 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.139 -19.298 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.610 -17.978 2.315 1.00 0.00 H new ATOM 0 HG SER A 6 -15.847 -18.497 1.993 1.00 0.00 H new ATOM 59 N GLY A 7 -11.058 -18.337 1.744 1.00 0.00 N ATOM 60 CA GLY A 7 -9.754 -17.849 2.155 1.00 0.00 C ATOM 61 C GLY A 7 -9.461 -16.460 1.625 1.00 0.00 C ATOM 62 O GLY A 7 -8.699 -16.299 0.671 1.00 0.00 O ATOM 0 H GLY A 7 -11.566 -17.721 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.700 -17.838 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.985 -18.538 1.805 1.00 0.00 H new ATOM 66 N LEU A 8 -10.068 -15.453 2.243 1.00 0.00 N ATOM 67 CA LEU A 8 -9.870 -14.068 1.827 1.00 0.00 C ATOM 68 C LEU A 8 -8.804 -13.390 2.682 1.00 0.00 C ATOM 69 O LEU A 8 -8.582 -13.747 3.839 1.00 0.00 O ATOM 70 CB LEU A 8 -11.186 -13.293 1.922 1.00 0.00 C ATOM 71 CG LEU A 8 -12.241 -13.630 0.868 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.623 -13.209 1.342 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.903 -12.962 -0.457 1.00 0.00 C ATOM 0 H LEU A 8 -10.701 -15.569 3.034 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.531 -14.070 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.617 -13.468 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.963 -12.228 1.856 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.245 -14.710 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.361 -13.457 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.866 -13.734 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.634 -12.134 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.664 -13.213 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.871 -11.881 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.931 -13.313 -0.804 1.00 0.00 H new ATOM 85 N PRO A 9 -8.130 -12.387 2.101 1.00 0.00 N ATOM 86 CA PRO A 9 -7.078 -11.636 2.792 1.00 0.00 C ATOM 87 C PRO A 9 -7.633 -10.750 3.903 1.00 0.00 C ATOM 88 O PRO A 9 -8.670 -10.109 3.737 1.00 0.00 O ATOM 89 CB PRO A 9 -6.465 -10.779 1.681 1.00 0.00 C ATOM 90 CG PRO A 9 -7.553 -10.629 0.675 1.00 0.00 C ATOM 91 CD PRO A 9 -8.342 -11.908 0.725 1.00 0.00 C ATOM 0 HA PRO A 9 -6.363 -12.295 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.141 -9.810 2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.588 -11.261 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.184 -9.772 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.143 -10.462 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.398 -11.737 0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.985 -12.629 -0.011 1.00 0.00 H new ATOM 99 N GLN A 10 -6.935 -10.720 5.034 1.00 0.00 N ATOM 100 CA GLN A 10 -7.359 -9.912 6.171 1.00 0.00 C ATOM 101 C GLN A 10 -6.222 -9.020 6.660 1.00 0.00 C ATOM 102 O GLN A 10 -5.068 -9.445 6.720 1.00 0.00 O ATOM 103 CB GLN A 10 -7.842 -10.812 7.310 1.00 0.00 C ATOM 104 CG GLN A 10 -8.325 -10.043 8.530 1.00 0.00 C ATOM 105 CD GLN A 10 -9.725 -9.489 8.354 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.691 -10.241 8.226 1.00 0.00 O ATOM 107 NE2 GLN A 10 -9.841 -8.166 8.348 1.00 0.00 N ATOM 0 H GLN A 10 -6.074 -11.245 5.187 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.181 -9.275 5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.652 -11.443 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.030 -11.476 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.305 -10.699 9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.637 -9.223 8.734 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.013 -7.581 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.758 -7.735 8.234 1.00 0.00 H new ATOM 116 N VAL A 11 -6.556 -7.782 7.007 1.00 0.00 N ATOM 117 CA VAL A 11 -5.564 -6.829 7.491 1.00 0.00 C ATOM 118 C VAL A 11 -5.963 -6.262 8.849 1.00 0.00 C ATOM 119 O VAL A 11 -6.674 -5.261 8.930 1.00 0.00 O ATOM 120 CB VAL A 11 -5.370 -5.668 6.499 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.345 -4.677 7.030 1.00 0.00 C ATOM 122 CG2 VAL A 11 -4.956 -6.197 5.134 1.00 0.00 C ATOM 0 H VAL A 11 -7.507 -7.415 6.962 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.625 -7.373 7.590 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.320 -5.146 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.221 -3.863 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.688 -4.274 7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.390 -5.183 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.823 -5.363 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.018 -6.745 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.730 -6.863 4.752 1.00 0.00 H new ATOM 132 N GLU A 12 -5.499 -6.909 9.914 1.00 0.00 N ATOM 133 CA GLU A 12 -5.808 -6.469 11.269 1.00 0.00 C ATOM 134 C GLU A 12 -5.322 -5.041 11.501 1.00 0.00 C ATOM 135 O GLU A 12 -6.066 -4.193 11.993 1.00 0.00 O ATOM 136 CB GLU A 12 -5.170 -7.410 12.293 1.00 0.00 C ATOM 137 CG GLU A 12 -5.851 -7.383 13.651 1.00 0.00 C ATOM 138 CD GLU A 12 -5.158 -8.268 14.669 1.00 0.00 C ATOM 139 OE1 GLU A 12 -4.644 -9.336 14.273 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.129 -7.894 15.860 1.00 0.00 O ATOM 0 H GLU A 12 -4.908 -7.739 9.864 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.891 -6.491 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.195 -8.428 11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.121 -7.141 12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.874 -6.358 14.022 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.887 -7.705 13.540 1.00 0.00 H new ATOM 147 N ALA A 13 -4.068 -4.784 11.144 1.00 0.00 N ATOM 148 CA ALA A 13 -3.482 -3.460 11.312 1.00 0.00 C ATOM 149 C ALA A 13 -2.268 -3.278 10.407 1.00 0.00 C ATOM 150 O ALA A 13 -1.887 -4.190 9.672 1.00 0.00 O ATOM 151 CB ALA A 13 -3.097 -3.234 12.767 1.00 0.00 C ATOM 0 H ALA A 13 -3.438 -5.475 10.737 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.229 -2.720 11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.661 -2.241 12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.985 -3.312 13.395 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.370 -3.986 13.072 1.00 0.00 H new ATOM 157 N TYR A 14 -1.664 -2.096 10.465 1.00 0.00 N ATOM 158 CA TYR A 14 -0.495 -1.794 9.649 1.00 0.00 C ATOM 159 C TYR A 14 0.373 -0.730 10.312 1.00 0.00 C ATOM 160 O TYR A 14 -0.107 0.058 11.128 1.00 0.00 O ATOM 161 CB TYR A 14 -0.926 -1.323 8.258 1.00 0.00 C ATOM 162 CG TYR A 14 -1.920 -0.185 8.286 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.591 1.037 8.860 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.189 -0.330 7.739 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.496 2.080 8.889 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.100 0.708 7.761 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.749 1.911 8.337 1.00 0.00 C ATOM 168 OH TYR A 14 -4.654 2.947 8.363 1.00 0.00 O ATOM 0 H TYR A 14 -1.965 -1.331 11.069 1.00 0.00 H new ATOM 0 HA TYR A 14 0.093 -2.706 9.551 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.044 -1.010 7.700 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.363 -2.163 7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.610 1.174 9.291 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.468 -1.271 7.289 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.224 3.022 9.341 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.082 0.578 7.330 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.551 3.492 7.555 1.00 0.00 H new ATOM 178 N SER A 15 1.653 -0.713 9.956 1.00 0.00 N ATOM 179 CA SER A 15 2.590 0.253 10.518 1.00 0.00 C ATOM 180 C SER A 15 3.829 0.385 9.637 1.00 0.00 C ATOM 181 O SER A 15 4.263 -0.566 8.986 1.00 0.00 O ATOM 182 CB SER A 15 2.999 -0.166 11.932 1.00 0.00 C ATOM 183 OG SER A 15 2.042 0.259 12.886 1.00 0.00 O ATOM 0 H SER A 15 2.065 -1.357 9.281 1.00 0.00 H new ATOM 0 HA SER A 15 2.092 1.222 10.562 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.106 -1.250 11.977 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.973 0.260 12.174 1.00 0.00 H new ATOM 0 HG SER A 15 1.164 0.333 12.458 1.00 0.00 H new ATOM 189 N PRO A 16 4.411 1.593 9.614 1.00 0.00 N ATOM 190 CA PRO A 16 3.903 2.732 10.384 1.00 0.00 C ATOM 191 C PRO A 16 2.577 3.253 9.840 1.00 0.00 C ATOM 192 O PRO A 16 2.351 3.261 8.630 1.00 0.00 O ATOM 193 CB PRO A 16 4.999 3.787 10.221 1.00 0.00 C ATOM 194 CG PRO A 16 5.675 3.438 8.940 1.00 0.00 C ATOM 195 CD PRO A 16 5.611 1.939 8.834 1.00 0.00 C ATOM 0 HA PRO A 16 3.700 2.465 11.421 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.579 4.792 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.698 3.763 11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.176 3.911 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.708 3.786 8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.524 1.613 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.505 1.469 9.243 1.00 0.00 H new ATOM 203 N SER A 17 1.703 3.687 10.742 1.00 0.00 N ATOM 204 CA SER A 17 0.397 4.207 10.353 1.00 0.00 C ATOM 205 C SER A 17 0.518 5.131 9.145 1.00 0.00 C ATOM 206 O SER A 17 -0.406 5.244 8.341 1.00 0.00 O ATOM 207 CB SER A 17 -0.245 4.958 11.521 1.00 0.00 C ATOM 208 OG SER A 17 -1.648 5.068 11.347 1.00 0.00 O ATOM 0 H SER A 17 1.875 3.689 11.747 1.00 0.00 H new ATOM 0 HA SER A 17 -0.236 3.363 10.081 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.031 4.437 12.454 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.194 5.952 11.603 1.00 0.00 H new ATOM 0 HG SER A 17 -2.035 5.550 12.107 1.00 0.00 H new ATOM 214 N ALA A 18 1.666 5.790 9.025 1.00 0.00 N ATOM 215 CA ALA A 18 1.911 6.703 7.915 1.00 0.00 C ATOM 216 C ALA A 18 3.334 6.556 7.388 1.00 0.00 C ATOM 217 O ALA A 18 4.171 5.900 8.008 1.00 0.00 O ATOM 218 CB ALA A 18 1.650 8.139 8.346 1.00 0.00 C ATOM 0 H ALA A 18 2.441 5.709 9.683 1.00 0.00 H new ATOM 0 HA ALA A 18 1.225 6.448 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.837 8.810 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.613 8.240 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.313 8.397 9.172 1.00 0.00 H new ATOM 224 N CYS A 19 3.600 7.170 6.240 1.00 0.00 N ATOM 225 CA CYS A 19 4.923 7.107 5.628 1.00 0.00 C ATOM 226 C CYS A 19 5.211 8.371 4.824 1.00 0.00 C ATOM 227 O CYS A 19 4.372 9.268 4.737 1.00 0.00 O ATOM 228 CB CYS A 19 5.031 5.878 4.725 1.00 0.00 C ATOM 229 SG CYS A 19 5.533 4.370 5.588 1.00 0.00 S ATOM 0 H CYS A 19 2.918 7.717 5.715 1.00 0.00 H new ATOM 0 HA CYS A 19 5.662 7.029 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.067 5.706 4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.748 6.086 3.931 1.00 0.00 H new ATOM 0 HG CYS A 19 4.491 3.622 5.796 1.00 0.00 H new ATOM 235 N SER A 20 6.403 8.435 4.240 1.00 0.00 N ATOM 236 CA SER A 20 6.804 9.591 3.447 1.00 0.00 C ATOM 237 C SER A 20 6.346 9.443 1.999 1.00 0.00 C ATOM 238 O SER A 20 6.053 8.340 1.538 1.00 0.00 O ATOM 239 CB SER A 20 8.323 9.768 3.497 1.00 0.00 C ATOM 240 OG SER A 20 8.986 8.640 2.954 1.00 0.00 O ATOM 0 H SER A 20 7.108 7.700 4.301 1.00 0.00 H new ATOM 0 HA SER A 20 6.327 10.474 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.606 10.662 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.641 9.919 4.529 1.00 0.00 H new ATOM 0 HG SER A 20 9.913 8.621 3.272 1.00 0.00 H new ATOM 246 N VAL A 21 6.286 10.563 1.286 1.00 0.00 N ATOM 247 CA VAL A 21 5.865 10.560 -0.109 1.00 0.00 C ATOM 248 C VAL A 21 6.872 9.824 -0.986 1.00 0.00 C ATOM 249 O VAL A 21 6.550 9.397 -2.095 1.00 0.00 O ATOM 250 CB VAL A 21 5.686 11.993 -0.645 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.516 12.679 0.044 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.966 12.793 -0.463 1.00 0.00 C ATOM 0 H VAL A 21 6.524 11.485 1.652 1.00 0.00 H new ATOM 0 HA VAL A 21 4.906 10.043 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 21 5.467 11.939 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.405 13.690 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.602 12.115 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.701 12.724 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.822 13.803 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.218 12.840 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.777 12.310 -1.008 1.00 0.00 H new ATOM 262 N ARG A 22 8.092 9.678 -0.480 1.00 0.00 N ATOM 263 CA ARG A 22 9.148 8.994 -1.217 1.00 0.00 C ATOM 264 C ARG A 22 9.068 7.484 -1.006 1.00 0.00 C ATOM 265 O ARG A 22 9.936 6.737 -1.455 1.00 0.00 O ATOM 266 CB ARG A 22 10.521 9.508 -0.781 1.00 0.00 C ATOM 267 CG ARG A 22 10.807 9.300 0.697 1.00 0.00 C ATOM 268 CD ARG A 22 12.298 9.151 0.960 1.00 0.00 C ATOM 269 NE ARG A 22 12.995 10.432 0.898 1.00 0.00 N ATOM 270 CZ ARG A 22 14.309 10.561 1.044 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.064 9.493 1.259 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.871 11.762 0.974 1.00 0.00 N ATOM 0 H ARG A 22 8.374 10.024 0.437 1.00 0.00 H new ATOM 0 HA ARG A 22 9.010 9.204 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.291 9.004 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.591 10.571 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.419 10.144 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.284 8.411 1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.450 8.703 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.729 8.468 0.228 1.00 0.00 H new ATOM 0 HE ARG A 22 12.443 11.274 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.636 8.569 1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.073 9.596 1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.294 12.586 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.880 11.860 1.086 1.00 0.00 H new ATOM 286 N GLY A 23 8.019 7.043 -0.318 1.00 0.00 N ATOM 287 CA GLY A 23 7.845 5.626 -0.059 1.00 0.00 C ATOM 288 C GLY A 23 9.156 4.926 0.239 1.00 0.00 C ATOM 289 O GLY A 23 9.841 5.261 1.205 1.00 0.00 O ATOM 0 H GLY A 23 7.287 7.642 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.167 5.494 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.374 5.157 -0.923 1.00 0.00 H new ATOM 293 N GLY A 24 9.506 3.949 -0.592 1.00 0.00 N ATOM 294 CA GLY A 24 10.742 3.214 -0.394 1.00 0.00 C ATOM 295 C GLY A 24 11.031 2.949 1.070 1.00 0.00 C ATOM 296 O GLY A 24 12.174 3.061 1.513 1.00 0.00 O ATOM 0 H GLY A 24 8.956 3.653 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.686 2.265 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.569 3.776 -0.828 1.00 0.00 H new ATOM 300 N GLU A 25 9.993 2.599 1.823 1.00 0.00 N ATOM 301 CA GLU A 25 10.142 2.320 3.246 1.00 0.00 C ATOM 302 C GLU A 25 9.616 0.929 3.587 1.00 0.00 C ATOM 303 O GLU A 25 8.970 0.281 2.764 1.00 0.00 O ATOM 304 CB GLU A 25 9.404 3.374 4.075 1.00 0.00 C ATOM 305 CG GLU A 25 10.167 4.681 4.217 1.00 0.00 C ATOM 306 CD GLU A 25 11.133 4.668 5.386 1.00 0.00 C ATOM 307 OE1 GLU A 25 10.783 4.092 6.437 1.00 0.00 O ATOM 308 OE2 GLU A 25 12.237 5.234 5.249 1.00 0.00 O ATOM 0 H GLU A 25 9.040 2.502 1.471 1.00 0.00 H new ATOM 0 HA GLU A 25 11.204 2.356 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.437 3.576 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.205 2.970 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.718 4.878 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.458 5.499 4.345 1.00 0.00 H new ATOM 315 N GLU A 26 9.897 0.478 4.805 1.00 0.00 N ATOM 316 CA GLU A 26 9.453 -0.836 5.254 1.00 0.00 C ATOM 317 C GLU A 26 8.055 -0.760 5.860 1.00 0.00 C ATOM 318 O GLU A 26 7.838 -0.082 6.866 1.00 0.00 O ATOM 319 CB GLU A 26 10.435 -1.409 6.278 1.00 0.00 C ATOM 320 CG GLU A 26 10.203 -2.878 6.588 1.00 0.00 C ATOM 321 CD GLU A 26 11.065 -3.376 7.732 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.663 -3.196 8.900 1.00 0.00 O ATOM 323 OE2 GLU A 26 12.141 -3.947 7.457 1.00 0.00 O ATOM 0 H GLU A 26 10.430 1.003 5.498 1.00 0.00 H new ATOM 0 HA GLU A 26 9.419 -1.495 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.451 -1.281 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.360 -0.835 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.153 -3.032 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.410 -3.471 5.697 1.00 0.00 H new ATOM 330 N LEU A 27 7.110 -1.460 5.243 1.00 0.00 N ATOM 331 CA LEU A 27 5.731 -1.473 5.721 1.00 0.00 C ATOM 332 C LEU A 27 5.321 -2.874 6.163 1.00 0.00 C ATOM 333 O LEU A 27 5.066 -3.748 5.334 1.00 0.00 O ATOM 334 CB LEU A 27 4.787 -0.974 4.626 1.00 0.00 C ATOM 335 CG LEU A 27 3.302 -0.934 4.987 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.050 0.071 6.100 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.463 -0.598 3.763 1.00 0.00 C ATOM 0 H LEU A 27 7.273 -2.026 4.410 1.00 0.00 H new ATOM 0 HA LEU A 27 5.664 -0.807 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.097 0.030 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.910 -1.611 3.750 1.00 0.00 H new ATOM 0 HG LEU A 27 3.009 -1.921 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.988 0.086 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.621 -0.214 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.361 1.063 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.409 -0.574 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.759 0.377 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.619 -1.356 2.995 1.00 0.00 H new ATOM 349 N VAL A 28 5.257 -3.080 7.474 1.00 0.00 N ATOM 350 CA VAL A 28 4.874 -4.374 8.027 1.00 0.00 C ATOM 351 C VAL A 28 3.367 -4.454 8.245 1.00 0.00 C ATOM 352 O VAL A 28 2.833 -3.866 9.187 1.00 0.00 O ATOM 353 CB VAL A 28 5.590 -4.648 9.363 1.00 0.00 C ATOM 354 CG1 VAL A 28 5.133 -5.973 9.952 1.00 0.00 C ATOM 355 CG2 VAL A 28 7.099 -4.633 9.170 1.00 0.00 C ATOM 0 H VAL A 28 5.465 -2.368 8.174 1.00 0.00 H new ATOM 0 HA VAL A 28 5.174 -5.130 7.301 1.00 0.00 H new ATOM 0 HB VAL A 28 5.328 -3.857 10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.650 -6.149 10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.058 -5.942 10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.364 -6.779 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.590 -4.828 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.382 -5.403 8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.408 -3.657 8.796 1.00 0.00 H new ATOM 365 N LEU A 29 2.686 -5.185 7.370 1.00 0.00 N ATOM 366 CA LEU A 29 1.239 -5.343 7.466 1.00 0.00 C ATOM 367 C LEU A 29 0.879 -6.515 8.374 1.00 0.00 C ATOM 368 O LEU A 29 1.512 -7.570 8.326 1.00 0.00 O ATOM 369 CB LEU A 29 0.636 -5.555 6.077 1.00 0.00 C ATOM 370 CG LEU A 29 0.897 -4.447 5.056 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.507 -4.906 3.659 1.00 0.00 C ATOM 372 CD2 LEU A 29 0.139 -3.183 5.435 1.00 0.00 C ATOM 0 H LEU A 29 3.113 -5.678 6.586 1.00 0.00 H new ATOM 0 HA LEU A 29 0.826 -4.432 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.022 -6.491 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.442 -5.675 6.185 1.00 0.00 H new ATOM 0 HG LEU A 29 1.963 -4.221 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.700 -4.105 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.094 -5.783 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.553 -5.160 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.337 -2.405 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.930 -3.394 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.467 -2.843 6.417 1.00 0.00 H new ATOM 384 N THR A 30 -0.144 -6.324 9.201 1.00 0.00 N ATOM 385 CA THR A 30 -0.590 -7.364 10.119 1.00 0.00 C ATOM 386 C THR A 30 -1.950 -7.915 9.707 1.00 0.00 C ATOM 387 O THR A 30 -2.854 -7.161 9.352 1.00 0.00 O ATOM 388 CB THR A 30 -0.678 -6.839 11.564 1.00 0.00 C ATOM 389 OG1 THR A 30 0.550 -6.199 11.929 1.00 0.00 O ATOM 390 CG2 THR A 30 -0.974 -7.972 12.535 1.00 0.00 C ATOM 0 H THR A 30 -0.680 -5.458 9.254 1.00 0.00 H new ATOM 0 HA THR A 30 0.151 -8.162 10.075 1.00 0.00 H new ATOM 0 HB THR A 30 -1.492 -6.116 11.615 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.485 -5.867 12.849 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.031 -7.576 13.549 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.924 -8.437 12.273 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.179 -8.715 12.480 1.00 0.00 H new ATOM 398 N GLY A 31 -2.088 -9.237 9.757 1.00 0.00 N ATOM 399 CA GLY A 31 -3.342 -9.866 9.386 1.00 0.00 C ATOM 400 C GLY A 31 -3.234 -11.377 9.315 1.00 0.00 C ATOM 401 O GLY A 31 -2.412 -11.980 10.006 1.00 0.00 O ATOM 0 H GLY A 31 -1.354 -9.883 10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.110 -9.593 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.665 -9.482 8.418 1.00 0.00 H new ATOM 405 N SER A 32 -4.066 -11.989 8.480 1.00 0.00 N ATOM 406 CA SER A 32 -4.065 -13.439 8.325 1.00 0.00 C ATOM 407 C SER A 32 -4.577 -13.839 6.945 1.00 0.00 C ATOM 408 O SER A 32 -5.118 -13.015 6.209 1.00 0.00 O ATOM 409 CB SER A 32 -4.926 -14.090 9.410 1.00 0.00 C ATOM 410 OG SER A 32 -4.611 -15.464 9.556 1.00 0.00 O ATOM 0 H SER A 32 -4.750 -11.503 7.900 1.00 0.00 H new ATOM 0 HA SER A 32 -3.038 -13.789 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.771 -13.576 10.358 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.980 -13.981 9.156 1.00 0.00 H new ATOM 0 HG SER A 32 -5.174 -15.856 10.256 1.00 0.00 H new ATOM 416 N ASN A 33 -4.401 -15.111 6.601 1.00 0.00 N ATOM 417 CA ASN A 33 -4.844 -15.622 5.309 1.00 0.00 C ATOM 418 C ASN A 33 -4.111 -14.924 4.168 1.00 0.00 C ATOM 419 O ASN A 33 -4.688 -14.666 3.111 1.00 0.00 O ATOM 420 CB ASN A 33 -6.354 -15.431 5.153 1.00 0.00 C ATOM 421 CG ASN A 33 -7.147 -16.577 5.751 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.603 -17.648 6.023 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.440 -16.357 5.959 1.00 0.00 N ATOM 0 H ASN A 33 -3.955 -15.806 7.199 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.613 -16.686 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.651 -14.498 5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.598 -15.337 4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.024 -17.091 6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.849 -15.454 5.719 1.00 0.00 H new ATOM 430 N PHE A 34 -2.836 -14.621 4.388 1.00 0.00 N ATOM 431 CA PHE A 34 -2.023 -13.953 3.379 1.00 0.00 C ATOM 432 C PHE A 34 -1.436 -14.962 2.397 1.00 0.00 C ATOM 433 O PHE A 34 -1.544 -16.173 2.595 1.00 0.00 O ATOM 434 CB PHE A 34 -0.898 -13.158 4.044 1.00 0.00 C ATOM 435 CG PHE A 34 -1.372 -11.912 4.737 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.208 -11.018 4.088 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.982 -11.636 6.037 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.647 -9.871 4.723 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.417 -10.491 6.678 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.250 -9.607 6.019 1.00 0.00 C ATOM 0 H PHE A 34 -2.343 -14.828 5.257 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.666 -13.267 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.392 -13.796 4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.161 -12.886 3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.520 -11.219 3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.330 -12.323 6.556 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.299 -9.183 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.106 -10.288 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.590 -8.711 6.517 1.00 0.00 H new ATOM 450 N LEU A 35 -0.816 -14.456 1.337 1.00 0.00 N ATOM 451 CA LEU A 35 -0.212 -15.312 0.322 1.00 0.00 C ATOM 452 C LEU A 35 1.165 -14.793 -0.079 1.00 0.00 C ATOM 453 O LEU A 35 1.433 -13.592 -0.057 1.00 0.00 O ATOM 454 CB LEU A 35 -1.116 -15.395 -0.908 1.00 0.00 C ATOM 455 CG LEU A 35 -2.405 -16.201 -0.741 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.456 -15.740 -1.739 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.130 -17.688 -0.902 1.00 0.00 C ATOM 0 H LEU A 35 -0.718 -13.457 1.158 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.095 -16.309 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.381 -14.381 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.543 -15.830 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.789 -16.031 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.366 -16.325 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.675 -14.685 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.081 -15.879 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.059 -18.245 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.721 -17.877 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.412 -18.009 -0.147 1.00 0.00 H new ATOM 469 N PRO A 36 2.060 -15.718 -0.456 1.00 0.00 N ATOM 470 CA PRO A 36 3.424 -15.377 -0.872 1.00 0.00 C ATOM 471 C PRO A 36 3.457 -14.656 -2.216 1.00 0.00 C ATOM 472 O PRO A 36 4.418 -13.954 -2.531 1.00 0.00 O ATOM 473 CB PRO A 36 4.113 -16.740 -0.980 1.00 0.00 C ATOM 474 CG PRO A 36 3.008 -17.704 -1.240 1.00 0.00 C ATOM 475 CD PRO A 36 1.810 -17.168 -0.506 1.00 0.00 C ATOM 0 HA PRO A 36 3.905 -14.695 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.845 -16.750 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.647 -16.988 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.806 -17.788 -2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.269 -18.701 -0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.882 -17.398 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.726 -17.596 0.493 1.00 0.00 H new ATOM 483 N ASP A 37 2.402 -14.834 -3.003 1.00 0.00 N ATOM 484 CA ASP A 37 2.309 -14.199 -4.312 1.00 0.00 C ATOM 485 C ASP A 37 1.326 -13.033 -4.283 1.00 0.00 C ATOM 486 O ASP A 37 1.027 -12.433 -5.315 1.00 0.00 O ATOM 487 CB ASP A 37 1.879 -15.218 -5.368 1.00 0.00 C ATOM 488 CG ASP A 37 0.499 -15.784 -5.098 1.00 0.00 C ATOM 489 OD1 ASP A 37 -0.473 -15.000 -5.089 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.391 -17.012 -4.895 1.00 0.00 O ATOM 0 H ASP A 37 1.599 -15.413 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 37 3.295 -13.813 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.889 -14.745 -6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.603 -16.032 -5.399 1.00 0.00 H new ATOM 495 N SER A 38 0.825 -12.718 -3.092 1.00 0.00 N ATOM 496 CA SER A 38 -0.129 -11.627 -2.928 1.00 0.00 C ATOM 497 C SER A 38 0.300 -10.405 -3.734 1.00 0.00 C ATOM 498 O SER A 38 1.444 -10.311 -4.181 1.00 0.00 O ATOM 499 CB SER A 38 -0.262 -11.256 -1.450 1.00 0.00 C ATOM 500 OG SER A 38 -1.115 -12.162 -0.772 1.00 0.00 O ATOM 0 H SER A 38 1.064 -13.203 -2.227 1.00 0.00 H new ATOM 0 HA SER A 38 -1.097 -11.964 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.722 -11.258 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.656 -10.244 -1.360 1.00 0.00 H new ATOM 0 HG SER A 38 -1.311 -11.818 0.125 1.00 0.00 H new ATOM 506 N LYS A 39 -0.626 -9.469 -3.917 1.00 0.00 N ATOM 507 CA LYS A 39 -0.346 -8.251 -4.667 1.00 0.00 C ATOM 508 C LYS A 39 -0.855 -7.023 -3.920 1.00 0.00 C ATOM 509 O LYS A 39 -1.971 -7.018 -3.400 1.00 0.00 O ATOM 510 CB LYS A 39 -0.991 -8.322 -6.053 1.00 0.00 C ATOM 511 CG LYS A 39 -0.339 -9.337 -6.976 1.00 0.00 C ATOM 512 CD LYS A 39 -1.041 -9.398 -8.323 1.00 0.00 C ATOM 513 CE LYS A 39 -2.251 -10.319 -8.279 1.00 0.00 C ATOM 514 NZ LYS A 39 -2.757 -10.636 -9.644 1.00 0.00 N ATOM 0 H LYS A 39 -1.578 -9.531 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 39 0.735 -8.164 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.046 -8.571 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.943 -7.337 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.709 -9.076 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.360 -10.322 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.355 -8.396 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.343 -9.749 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.985 -11.244 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.044 -9.849 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.581 -11.266 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.035 -9.756 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.009 -11.108 -10.191 1.00 0.00 H new ATOM 528 N VAL A 40 -0.031 -5.981 -3.872 1.00 0.00 N ATOM 529 CA VAL A 40 -0.399 -4.746 -3.191 1.00 0.00 C ATOM 530 C VAL A 40 -0.262 -3.544 -4.120 1.00 0.00 C ATOM 531 O VAL A 40 0.842 -3.181 -4.524 1.00 0.00 O ATOM 532 CB VAL A 40 0.469 -4.514 -1.940 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.054 -3.234 -1.231 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.378 -5.708 -1.001 1.00 0.00 C ATOM 0 H VAL A 40 0.896 -5.968 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.441 -4.851 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 40 1.507 -4.405 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.679 -3.087 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.176 -2.388 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.990 -3.308 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.997 -5.528 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.658 -5.850 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.729 -6.603 -1.515 1.00 0.00 H new ATOM 544 N VAL A 41 -1.393 -2.931 -4.454 1.00 0.00 N ATOM 545 CA VAL A 41 -1.400 -1.768 -5.334 1.00 0.00 C ATOM 546 C VAL A 41 -2.034 -0.563 -4.648 1.00 0.00 C ATOM 547 O VAL A 41 -2.934 -0.709 -3.821 1.00 0.00 O ATOM 548 CB VAL A 41 -2.160 -2.059 -6.642 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.851 -3.464 -7.138 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.657 -1.874 -6.441 1.00 0.00 C ATOM 0 H VAL A 41 -2.316 -3.220 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.360 -1.543 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.828 -1.350 -7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.397 -3.652 -8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.781 -3.557 -7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.154 -4.191 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.178 -2.084 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.008 -2.558 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.859 -0.847 -6.135 1.00 0.00 H new ATOM 560 N PHE A 42 -1.559 0.627 -4.998 1.00 0.00 N ATOM 561 CA PHE A 42 -2.079 1.859 -4.416 1.00 0.00 C ATOM 562 C PHE A 42 -2.999 2.579 -5.398 1.00 0.00 C ATOM 563 O PHE A 42 -2.993 2.291 -6.595 1.00 0.00 O ATOM 564 CB PHE A 42 -0.928 2.781 -4.009 1.00 0.00 C ATOM 565 CG PHE A 42 -0.276 2.390 -2.713 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.297 1.138 -2.562 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.236 3.275 -1.648 1.00 0.00 C ATOM 568 CE1 PHE A 42 0.897 0.775 -1.371 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.363 2.918 -0.454 1.00 0.00 C ATOM 570 CZ PHE A 42 0.931 1.667 -0.316 1.00 0.00 C ATOM 0 H PHE A 42 -0.815 0.765 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.657 1.597 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.177 2.781 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.303 3.801 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.275 0.438 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.678 4.255 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.339 -0.205 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.387 3.617 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.401 1.386 0.615 1.00 0.00 H new ATOM 580 N ILE A 43 -3.789 3.514 -4.882 1.00 0.00 N ATOM 581 CA ILE A 43 -4.715 4.275 -5.712 1.00 0.00 C ATOM 582 C ILE A 43 -4.742 5.743 -5.300 1.00 0.00 C ATOM 583 O ILE A 43 -4.588 6.071 -4.125 1.00 0.00 O ATOM 584 CB ILE A 43 -6.143 3.704 -5.632 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.673 3.797 -4.200 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.165 2.263 -6.119 1.00 0.00 C ATOM 587 CD1 ILE A 43 -8.162 3.552 -4.090 1.00 0.00 C ATOM 0 H ILE A 43 -3.807 3.763 -3.893 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.358 4.194 -6.739 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.792 4.295 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.147 3.072 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.445 4.785 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.181 1.873 -6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.824 2.223 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.506 1.658 -5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.468 3.634 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.697 4.292 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.395 2.553 -4.459 1.00 0.00 H new ATOM 599 N GLU A 44 -4.942 6.622 -6.277 1.00 0.00 N ATOM 600 CA GLU A 44 -4.992 8.056 -6.016 1.00 0.00 C ATOM 601 C GLU A 44 -6.236 8.681 -6.640 1.00 0.00 C ATOM 602 O GLU A 44 -6.517 8.483 -7.822 1.00 0.00 O ATOM 603 CB GLU A 44 -3.736 8.740 -6.562 1.00 0.00 C ATOM 604 CG GLU A 44 -3.810 10.257 -6.536 1.00 0.00 C ATOM 605 CD GLU A 44 -2.835 10.905 -7.500 1.00 0.00 C ATOM 606 OE1 GLU A 44 -2.435 10.237 -8.477 1.00 0.00 O ATOM 607 OE2 GLU A 44 -2.471 12.079 -7.277 1.00 0.00 O ATOM 0 H GLU A 44 -5.072 6.366 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.037 8.201 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.874 8.417 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.569 8.410 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.824 10.572 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.605 10.610 -5.525 1.00 0.00 H new ATOM 614 N ARG A 45 -6.979 9.434 -5.836 1.00 0.00 N ATOM 615 CA ARG A 45 -8.195 10.086 -6.308 1.00 0.00 C ATOM 616 C ARG A 45 -7.887 11.475 -6.860 1.00 0.00 C ATOM 617 O ARG A 45 -7.144 12.245 -6.253 1.00 0.00 O ATOM 618 CB ARG A 45 -9.216 10.191 -5.173 1.00 0.00 C ATOM 619 CG ARG A 45 -9.692 8.844 -4.656 1.00 0.00 C ATOM 620 CD ARG A 45 -8.807 8.334 -3.530 1.00 0.00 C ATOM 621 NE ARG A 45 -9.494 7.353 -2.695 1.00 0.00 N ATOM 622 CZ ARG A 45 -10.472 7.662 -1.851 1.00 0.00 C ATOM 623 NH1 ARG A 45 -10.876 8.919 -1.731 1.00 0.00 N ATOM 624 NH2 ARG A 45 -11.048 6.712 -1.125 1.00 0.00 N ATOM 0 H ARG A 45 -6.761 9.608 -4.855 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.615 9.480 -7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.774 10.751 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.077 10.762 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.719 8.932 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.697 8.121 -5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.907 7.885 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.486 9.173 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.207 6.377 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.436 9.652 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.627 9.153 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.740 5.744 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.799 6.950 -0.477 1.00 0.00 H new ATOM 638 N GLY A 46 -8.465 11.788 -8.016 1.00 0.00 N ATOM 639 CA GLY A 46 -8.240 13.083 -8.631 1.00 0.00 C ATOM 640 C GLY A 46 -9.451 13.990 -8.533 1.00 0.00 C ATOM 641 O GLY A 46 -10.562 13.548 -8.237 1.00 0.00 O ATOM 0 H GLY A 46 -9.085 11.168 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.388 13.566 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.979 12.943 -9.680 1.00 0.00 H new ATOM 645 N PRO A 47 -9.244 15.291 -8.785 1.00 0.00 N ATOM 646 CA PRO A 47 -10.316 16.289 -8.729 1.00 0.00 C ATOM 647 C PRO A 47 -11.318 16.127 -9.867 1.00 0.00 C ATOM 648 O PRO A 47 -12.413 16.688 -9.827 1.00 0.00 O ATOM 649 CB PRO A 47 -9.569 17.619 -8.859 1.00 0.00 C ATOM 650 CG PRO A 47 -8.312 17.279 -9.582 1.00 0.00 C ATOM 651 CD PRO A 47 -7.946 15.887 -9.145 1.00 0.00 C ATOM 0 HA PRO A 47 -10.906 16.203 -7.817 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.158 18.351 -9.412 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.358 18.052 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.458 17.323 -10.661 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.519 17.986 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.456 15.331 -9.944 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.260 15.899 -8.298 1.00 0.00 H new ATOM 659 N ASP A 48 -10.936 15.359 -10.881 1.00 0.00 N ATOM 660 CA ASP A 48 -11.802 15.123 -12.030 1.00 0.00 C ATOM 661 C ASP A 48 -13.040 14.330 -11.624 1.00 0.00 C ATOM 662 O ASP A 48 -14.137 14.572 -12.125 1.00 0.00 O ATOM 663 CB ASP A 48 -11.040 14.376 -13.126 1.00 0.00 C ATOM 664 CG ASP A 48 -9.790 15.112 -13.567 1.00 0.00 C ATOM 665 OD1 ASP A 48 -8.785 15.071 -12.826 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.817 15.728 -14.652 1.00 0.00 O ATOM 0 H ASP A 48 -10.032 14.889 -10.931 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.123 16.091 -12.416 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.766 13.385 -12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.695 14.231 -13.985 1.00 0.00 H new ATOM 671 N GLY A 49 -12.856 13.380 -10.712 1.00 0.00 N ATOM 672 CA GLY A 49 -13.966 12.565 -10.254 1.00 0.00 C ATOM 673 C GLY A 49 -13.628 11.088 -10.228 1.00 0.00 C ATOM 674 O GLY A 49 -14.259 10.311 -9.510 1.00 0.00 O ATOM 0 H GLY A 49 -11.957 13.160 -10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.260 12.885 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.825 12.727 -10.906 1.00 0.00 H new ATOM 678 N LYS A 50 -12.631 10.696 -11.014 1.00 0.00 N ATOM 679 CA LYS A 50 -12.210 9.302 -11.080 1.00 0.00 C ATOM 680 C LYS A 50 -10.761 9.149 -10.629 1.00 0.00 C ATOM 681 O LYS A 50 -9.961 10.077 -10.753 1.00 0.00 O ATOM 682 CB LYS A 50 -12.371 8.766 -12.505 1.00 0.00 C ATOM 683 CG LYS A 50 -11.695 9.626 -13.558 1.00 0.00 C ATOM 684 CD LYS A 50 -11.680 8.938 -14.913 1.00 0.00 C ATOM 685 CE LYS A 50 -11.414 9.928 -16.037 1.00 0.00 C ATOM 686 NZ LYS A 50 -9.971 10.280 -16.136 1.00 0.00 N ATOM 0 H LYS A 50 -12.099 11.325 -11.615 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.844 8.725 -10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.961 7.757 -12.553 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.433 8.689 -12.738 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.216 10.580 -13.639 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.673 9.846 -13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.914 8.163 -14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.636 8.443 -15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.750 9.502 -16.983 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.998 10.833 -15.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.804 10.818 -17.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.698 10.858 -15.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.402 9.410 -16.151 1.00 0.00 H new ATOM 700 N LEU A 51 -10.430 7.973 -10.107 1.00 0.00 N ATOM 701 CA LEU A 51 -9.076 7.698 -9.639 1.00 0.00 C ATOM 702 C LEU A 51 -8.298 6.884 -10.668 1.00 0.00 C ATOM 703 O LEU A 51 -8.840 5.969 -11.286 1.00 0.00 O ATOM 704 CB LEU A 51 -9.118 6.949 -8.306 1.00 0.00 C ATOM 705 CG LEU A 51 -10.136 5.812 -8.207 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.790 4.701 -9.186 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.197 5.273 -6.785 1.00 0.00 C ATOM 0 H LEU A 51 -11.080 7.195 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.567 8.651 -9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.127 6.540 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.328 7.668 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.119 6.205 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.525 3.900 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.798 5.096 -10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.799 4.310 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.926 4.465 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.216 4.895 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.492 6.072 -6.105 1.00 0.00 H new ATOM 719 N GLN A 52 -7.026 7.224 -10.844 1.00 0.00 N ATOM 720 CA GLN A 52 -6.174 6.523 -11.798 1.00 0.00 C ATOM 721 C GLN A 52 -4.711 6.587 -11.370 1.00 0.00 C ATOM 722 O GLN A 52 -4.064 7.627 -11.492 1.00 0.00 O ATOM 723 CB GLN A 52 -6.336 7.123 -13.196 1.00 0.00 C ATOM 724 CG GLN A 52 -6.157 8.632 -13.235 1.00 0.00 C ATOM 725 CD GLN A 52 -6.571 9.235 -14.562 1.00 0.00 C ATOM 726 OE1 GLN A 52 -6.198 8.739 -15.626 1.00 0.00 O ATOM 727 NE2 GLN A 52 -7.348 10.311 -14.508 1.00 0.00 N ATOM 0 H GLN A 52 -6.562 7.980 -10.339 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.481 5.477 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.611 6.662 -13.866 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.326 6.873 -13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.744 9.084 -12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.113 8.875 -13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.634 10.689 -13.605 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.659 10.759 -15.370 1.00 0.00 H new ATOM 736 N TRP A 53 -4.197 5.469 -10.870 1.00 0.00 N ATOM 737 CA TRP A 53 -2.810 5.399 -10.424 1.00 0.00 C ATOM 738 C TRP A 53 -2.269 3.980 -10.551 1.00 0.00 C ATOM 739 O TRP A 53 -2.831 3.039 -9.991 1.00 0.00 O ATOM 740 CB TRP A 53 -2.694 5.874 -8.975 1.00 0.00 C ATOM 741 CG TRP A 53 -1.283 6.151 -8.552 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.232 6.468 -9.363 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.770 6.133 -7.215 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.904 6.649 -8.611 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.600 6.450 -7.291 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.336 5.883 -5.962 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.411 6.521 -6.161 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.530 5.953 -4.842 1.00 0.00 C ATOM 749 CH2 TRP A 53 0.831 6.271 -4.947 1.00 0.00 C ATOM 0 H TRP A 53 -4.719 4.599 -10.763 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.216 6.053 -11.062 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.288 6.779 -8.848 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.121 5.117 -8.317 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.285 6.563 -10.438 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.824 6.892 -8.977 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.384 5.640 -5.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.460 6.765 -6.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.956 5.759 -3.869 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.434 6.320 -4.052 1.00 0.00 H new ATOM 760 N GLU A 54 -1.174 3.832 -11.291 1.00 0.00 N ATOM 761 CA GLU A 54 -0.558 2.526 -11.491 1.00 0.00 C ATOM 762 C GLU A 54 0.825 2.472 -10.850 1.00 0.00 C ATOM 763 O GLU A 54 1.807 2.937 -11.429 1.00 0.00 O ATOM 764 CB GLU A 54 -0.453 2.210 -12.985 1.00 0.00 C ATOM 765 CG GLU A 54 -0.115 0.758 -13.278 1.00 0.00 C ATOM 766 CD GLU A 54 -0.161 0.435 -14.759 1.00 0.00 C ATOM 767 OE1 GLU A 54 0.469 1.173 -15.546 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.827 -0.553 -15.131 1.00 0.00 O ATOM 0 H GLU A 54 -0.696 4.600 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.190 1.778 -11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.398 2.459 -13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.310 2.849 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.880 0.536 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.814 0.112 -12.747 1.00 0.00 H new ATOM 775 N GLU A 55 0.894 1.903 -9.651 1.00 0.00 N ATOM 776 CA GLU A 55 2.157 1.790 -8.930 1.00 0.00 C ATOM 777 C GLU A 55 2.203 0.503 -8.112 1.00 0.00 C ATOM 778 O GLU A 55 1.338 0.257 -7.273 1.00 0.00 O ATOM 779 CB GLU A 55 2.355 2.998 -8.012 1.00 0.00 C ATOM 780 CG GLU A 55 3.025 4.179 -8.696 1.00 0.00 C ATOM 781 CD GLU A 55 4.511 3.965 -8.906 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.293 4.289 -7.987 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.892 3.473 -9.989 1.00 0.00 O ATOM 0 H GLU A 55 0.091 1.513 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 55 2.963 1.763 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.385 3.314 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.956 2.697 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.547 4.355 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.872 5.076 -8.096 1.00 0.00 H new ATOM 790 N GLU A 56 3.221 -0.315 -8.365 1.00 0.00 N ATOM 791 CA GLU A 56 3.380 -1.578 -7.653 1.00 0.00 C ATOM 792 C GLU A 56 4.491 -1.479 -6.611 1.00 0.00 C ATOM 793 O GLU A 56 5.487 -0.785 -6.815 1.00 0.00 O ATOM 794 CB GLU A 56 3.686 -2.708 -8.637 1.00 0.00 C ATOM 795 CG GLU A 56 3.202 -4.070 -8.169 1.00 0.00 C ATOM 796 CD GLU A 56 3.750 -5.205 -9.012 1.00 0.00 C ATOM 797 OE1 GLU A 56 3.864 -5.029 -10.243 1.00 0.00 O ATOM 798 OE2 GLU A 56 4.064 -6.270 -8.440 1.00 0.00 O ATOM 0 H GLU A 56 3.947 -0.126 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 56 2.444 -1.797 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.224 -2.478 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.762 -2.752 -8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.497 -4.219 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.113 -4.094 -8.198 1.00 0.00 H new ATOM 805 N ALA A 57 4.311 -2.178 -5.495 1.00 0.00 N ATOM 806 CA ALA A 57 5.298 -2.171 -4.423 1.00 0.00 C ATOM 807 C ALA A 57 6.080 -3.480 -4.388 1.00 0.00 C ATOM 808 O ALA A 57 5.550 -4.541 -4.718 1.00 0.00 O ATOM 809 CB ALA A 57 4.620 -1.922 -3.083 1.00 0.00 C ATOM 0 H ALA A 57 3.491 -2.756 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 57 6.003 -1.363 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.369 -1.919 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.113 -0.958 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.892 -2.711 -2.891 1.00 0.00 H new ATOM 815 N THR A 58 7.345 -3.398 -3.985 1.00 0.00 N ATOM 816 CA THR A 58 8.200 -4.575 -3.908 1.00 0.00 C ATOM 817 C THR A 58 7.817 -5.457 -2.725 1.00 0.00 C ATOM 818 O THR A 58 7.804 -5.005 -1.580 1.00 0.00 O ATOM 819 CB THR A 58 9.684 -4.184 -3.783 1.00 0.00 C ATOM 820 OG1 THR A 58 10.045 -3.286 -4.839 1.00 0.00 O ATOM 821 CG2 THR A 58 10.575 -5.416 -3.833 1.00 0.00 C ATOM 0 H THR A 58 7.799 -2.528 -3.707 1.00 0.00 H new ATOM 0 HA THR A 58 8.055 -5.131 -4.834 1.00 0.00 H new ATOM 0 HB THR A 58 9.826 -3.691 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.990 -3.041 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.619 -5.114 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.318 -6.084 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.428 -5.933 -4.781 1.00 0.00 H new ATOM 829 N VAL A 59 7.507 -6.718 -3.009 1.00 0.00 N ATOM 830 CA VAL A 59 7.125 -7.664 -1.967 1.00 0.00 C ATOM 831 C VAL A 59 8.257 -8.643 -1.672 1.00 0.00 C ATOM 832 O VAL A 59 8.856 -9.208 -2.586 1.00 0.00 O ATOM 833 CB VAL A 59 5.866 -8.457 -2.363 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.759 -9.734 -1.544 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.621 -7.599 -2.193 1.00 0.00 C ATOM 0 H VAL A 59 7.513 -7.108 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 59 6.911 -7.080 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 59 5.948 -8.734 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.863 -10.281 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.637 -10.355 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.700 -9.483 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.740 -8.175 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.532 -7.290 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.698 -6.717 -2.828 1.00 0.00 H new ATOM 845 N ASN A 60 8.543 -8.838 -0.389 1.00 0.00 N ATOM 846 CA ASN A 60 9.604 -9.749 0.027 1.00 0.00 C ATOM 847 C ASN A 60 9.027 -10.953 0.765 1.00 0.00 C ATOM 848 O ASN A 60 8.953 -10.964 1.994 1.00 0.00 O ATOM 849 CB ASN A 60 10.608 -9.020 0.923 1.00 0.00 C ATOM 850 CG ASN A 60 11.978 -9.670 0.902 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.506 -9.996 -0.161 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.560 -9.860 2.080 1.00 0.00 N ATOM 0 H ASN A 60 8.056 -8.378 0.380 1.00 0.00 H new ATOM 0 HA ASN A 60 10.116 -10.104 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.695 -7.983 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.232 -9.003 1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.483 -10.292 2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.085 -9.574 2.936 1.00 0.00 H new ATOM 859 N ARG A 61 8.622 -11.967 0.006 1.00 0.00 N ATOM 860 CA ARG A 61 8.052 -13.176 0.588 1.00 0.00 C ATOM 861 C ARG A 61 9.038 -13.833 1.550 1.00 0.00 C ATOM 862 O ARG A 61 8.644 -14.592 2.436 1.00 0.00 O ATOM 863 CB ARG A 61 7.663 -14.163 -0.514 1.00 0.00 C ATOM 864 CG ARG A 61 8.853 -14.727 -1.274 1.00 0.00 C ATOM 865 CD ARG A 61 9.520 -13.665 -2.134 1.00 0.00 C ATOM 866 NE ARG A 61 10.326 -14.251 -3.201 1.00 0.00 N ATOM 867 CZ ARG A 61 10.896 -13.540 -4.167 1.00 0.00 C ATOM 868 NH1 ARG A 61 10.748 -12.223 -4.200 1.00 0.00 N ATOM 869 NH2 ARG A 61 11.615 -14.146 -5.103 1.00 0.00 N ATOM 0 H ARG A 61 8.678 -11.975 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 61 7.159 -12.895 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.102 -14.986 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.996 -13.665 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.578 -15.133 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.525 -15.554 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.757 -13.019 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.151 -13.035 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 61 10.459 -15.262 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.195 -11.754 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.187 -11.679 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.730 -15.159 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.052 -13.599 -5.844 1.00 0.00 H new ATOM 883 N LEU A 62 10.320 -13.538 1.368 1.00 0.00 N ATOM 884 CA LEU A 62 11.363 -14.100 2.219 1.00 0.00 C ATOM 885 C LEU A 62 11.092 -13.793 3.688 1.00 0.00 C ATOM 886 O LEU A 62 11.404 -14.596 4.567 1.00 0.00 O ATOM 887 CB LEU A 62 12.731 -13.548 1.815 1.00 0.00 C ATOM 888 CG LEU A 62 13.279 -14.028 0.470 1.00 0.00 C ATOM 889 CD1 LEU A 62 13.594 -15.515 0.522 1.00 0.00 C ATOM 890 CD2 LEU A 62 12.288 -13.730 -0.646 1.00 0.00 C ATOM 0 H LEU A 62 10.663 -12.913 0.639 1.00 0.00 H new ATOM 0 HA LEU A 62 11.361 -15.182 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.669 -12.460 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.450 -13.810 2.592 1.00 0.00 H new ATOM 0 HG LEU A 62 14.203 -13.489 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.983 -15.839 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.340 -15.702 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.686 -16.072 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.694 -14.078 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.347 -14.242 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.112 -12.656 -0.699 1.00 0.00 H new ATOM 902 N GLN A 63 10.507 -12.628 3.945 1.00 0.00 N ATOM 903 CA GLN A 63 10.192 -12.216 5.308 1.00 0.00 C ATOM 904 C GLN A 63 8.701 -12.369 5.592 1.00 0.00 C ATOM 905 O GLN A 63 8.307 -12.793 6.679 1.00 0.00 O ATOM 906 CB GLN A 63 10.621 -10.766 5.537 1.00 0.00 C ATOM 907 CG GLN A 63 12.126 -10.587 5.646 1.00 0.00 C ATOM 908 CD GLN A 63 12.519 -9.183 6.062 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.676 -8.390 6.485 1.00 0.00 O ATOM 910 NE2 GLN A 63 13.803 -8.867 5.944 1.00 0.00 N ATOM 0 H GLN A 63 10.242 -11.953 3.228 1.00 0.00 H new ATOM 0 HA GLN A 63 10.742 -12.862 5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.249 -10.152 4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.153 -10.397 6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.521 -11.300 6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.586 -10.819 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.467 -9.555 5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.126 -7.936 6.208 1.00 0.00 H new ATOM 919 N SER A 64 7.878 -12.021 4.609 1.00 0.00 N ATOM 920 CA SER A 64 6.430 -12.116 4.755 1.00 0.00 C ATOM 921 C SER A 64 6.025 -13.493 5.270 1.00 0.00 C ATOM 922 O SER A 64 6.590 -14.509 4.869 1.00 0.00 O ATOM 923 CB SER A 64 5.742 -11.837 3.417 1.00 0.00 C ATOM 924 OG SER A 64 5.547 -13.034 2.684 1.00 0.00 O ATOM 0 H SER A 64 8.189 -11.671 3.703 1.00 0.00 H new ATOM 0 HA SER A 64 6.113 -11.368 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.781 -11.354 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.345 -11.143 2.832 1.00 0.00 H new ATOM 0 HG SER A 64 5.163 -12.822 1.808 1.00 0.00 H new ATOM 930 N ASN A 65 5.040 -13.518 6.163 1.00 0.00 N ATOM 931 CA ASN A 65 4.559 -14.770 6.735 1.00 0.00 C ATOM 932 C ASN A 65 3.097 -15.009 6.367 1.00 0.00 C ATOM 933 O ASN A 65 2.470 -14.182 5.706 1.00 0.00 O ATOM 934 CB ASN A 65 4.717 -14.753 8.257 1.00 0.00 C ATOM 935 CG ASN A 65 5.951 -13.993 8.702 1.00 0.00 C ATOM 936 OD1 ASN A 65 7.041 -14.186 8.162 1.00 0.00 O ATOM 937 ND2 ASN A 65 5.785 -13.123 9.691 1.00 0.00 N ATOM 0 H ASN A 65 4.560 -12.686 6.506 1.00 0.00 H new ATOM 0 HA ASN A 65 5.157 -15.583 6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.833 -14.300 8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.772 -15.777 8.625 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.579 -12.582 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.863 -12.996 10.109 1.00 0.00 H new ATOM 944 N GLU A 66 2.562 -16.146 6.801 1.00 0.00 N ATOM 945 CA GLU A 66 1.175 -16.494 6.517 1.00 0.00 C ATOM 946 C GLU A 66 0.220 -15.502 7.173 1.00 0.00 C ATOM 947 O GLU A 66 -0.958 -15.431 6.822 1.00 0.00 O ATOM 948 CB GLU A 66 0.871 -17.912 7.006 1.00 0.00 C ATOM 949 CG GLU A 66 0.456 -17.975 8.466 1.00 0.00 C ATOM 950 CD GLU A 66 0.511 -19.383 9.028 1.00 0.00 C ATOM 951 OE1 GLU A 66 -0.507 -20.100 8.930 1.00 0.00 O ATOM 952 OE2 GLU A 66 1.571 -19.767 9.564 1.00 0.00 O ATOM 0 H GLU A 66 3.068 -16.841 7.350 1.00 0.00 H new ATOM 0 HA GLU A 66 1.030 -16.451 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.077 -18.337 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.754 -18.535 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.107 -17.328 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.557 -17.586 8.569 1.00 0.00 H new ATOM 959 N VAL A 67 0.736 -14.737 8.130 1.00 0.00 N ATOM 960 CA VAL A 67 -0.070 -13.748 8.836 1.00 0.00 C ATOM 961 C VAL A 67 0.591 -12.374 8.800 1.00 0.00 C ATOM 962 O VAL A 67 0.142 -11.439 9.465 1.00 0.00 O ATOM 963 CB VAL A 67 -0.301 -14.156 10.303 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.273 -15.323 10.386 1.00 0.00 C ATOM 965 CG2 VAL A 67 1.020 -14.503 10.974 1.00 0.00 C ATOM 0 H VAL A 67 1.709 -14.783 8.434 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.031 -13.699 8.325 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.740 -13.310 10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.424 -15.597 11.430 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.227 -15.034 9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.866 -16.175 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.838 -14.789 12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.490 -15.333 10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.680 -13.636 10.948 1.00 0.00 H new ATOM 975 N THR A 68 1.660 -12.258 8.019 1.00 0.00 N ATOM 976 CA THR A 68 2.383 -10.998 7.896 1.00 0.00 C ATOM 977 C THR A 68 2.766 -10.723 6.447 1.00 0.00 C ATOM 978 O THR A 68 3.077 -11.644 5.690 1.00 0.00 O ATOM 979 CB THR A 68 3.658 -10.996 8.761 1.00 0.00 C ATOM 980 OG1 THR A 68 3.330 -11.316 10.118 1.00 0.00 O ATOM 981 CG2 THR A 68 4.347 -9.641 8.706 1.00 0.00 C ATOM 0 H THR A 68 2.044 -13.021 7.462 1.00 0.00 H new ATOM 0 HA THR A 68 1.713 -10.213 8.247 1.00 0.00 H new ATOM 0 HB THR A 68 4.340 -11.749 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.111 -11.160 10.689 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.244 -9.664 9.324 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.622 -9.414 7.676 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.669 -8.873 9.078 1.00 0.00 H new ATOM 989 N LEU A 69 2.743 -9.451 6.065 1.00 0.00 N ATOM 990 CA LEU A 69 3.088 -9.054 4.704 1.00 0.00 C ATOM 991 C LEU A 69 4.080 -7.895 4.711 1.00 0.00 C ATOM 992 O LEU A 69 3.728 -6.764 5.048 1.00 0.00 O ATOM 993 CB LEU A 69 1.829 -8.658 3.932 1.00 0.00 C ATOM 994 CG LEU A 69 1.103 -9.792 3.206 1.00 0.00 C ATOM 995 CD1 LEU A 69 0.024 -9.235 2.291 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.090 -10.638 2.416 1.00 0.00 C ATOM 0 H LEU A 69 2.489 -8.677 6.678 1.00 0.00 H new ATOM 0 HA LEU A 69 3.555 -9.906 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.131 -8.193 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.100 -7.899 3.199 1.00 0.00 H new ATOM 0 HG LEU A 69 0.626 -10.428 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.482 -10.056 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.700 -8.673 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.479 -8.576 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.556 -11.440 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.596 -10.014 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.826 -11.068 3.095 1.00 0.00 H new ATOM 1008 N THR A 70 5.322 -8.183 4.334 1.00 0.00 N ATOM 1009 CA THR A 70 6.364 -7.165 4.295 1.00 0.00 C ATOM 1010 C THR A 70 6.624 -6.698 2.867 1.00 0.00 C ATOM 1011 O THR A 70 6.982 -7.494 1.998 1.00 0.00 O ATOM 1012 CB THR A 70 7.681 -7.687 4.900 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.449 -8.187 6.221 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.729 -6.585 4.947 1.00 0.00 C ATOM 0 H THR A 70 5.630 -9.113 4.051 1.00 0.00 H new ATOM 0 HA THR A 70 6.007 -6.324 4.890 1.00 0.00 H new ATOM 0 HB THR A 70 8.052 -8.493 4.267 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.291 -8.518 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.650 -6.977 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.925 -6.226 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.364 -5.761 5.560 1.00 0.00 H new ATOM 1022 N LEU A 71 6.441 -5.404 2.630 1.00 0.00 N ATOM 1023 CA LEU A 71 6.657 -4.830 1.306 1.00 0.00 C ATOM 1024 C LEU A 71 7.222 -3.417 1.411 1.00 0.00 C ATOM 1025 O LEU A 71 7.280 -2.838 2.496 1.00 0.00 O ATOM 1026 CB LEU A 71 5.346 -4.811 0.518 1.00 0.00 C ATOM 1027 CG LEU A 71 4.339 -3.731 0.916 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.405 -3.419 -0.243 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.547 -4.166 2.140 1.00 0.00 C ATOM 0 H LEU A 71 6.144 -4.732 3.337 1.00 0.00 H new ATOM 0 HA LEU A 71 7.381 -5.452 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.582 -4.687 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.867 -5.784 0.626 1.00 0.00 H new ATOM 0 HG LEU A 71 4.888 -2.824 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.696 -2.648 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.987 -3.064 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.862 -4.321 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.835 -3.386 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.008 -5.087 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.229 -4.338 2.973 1.00 0.00 H new ATOM 1041 N THR A 72 7.636 -2.866 0.274 1.00 0.00 N ATOM 1042 CA THR A 72 8.195 -1.520 0.237 1.00 0.00 C ATOM 1043 C THR A 72 7.207 -0.531 -0.371 1.00 0.00 C ATOM 1044 O THR A 72 6.970 -0.538 -1.579 1.00 0.00 O ATOM 1045 CB THR A 72 9.507 -1.479 -0.569 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.451 -2.402 -0.016 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.099 -0.078 -0.569 1.00 0.00 C ATOM 0 H THR A 72 7.595 -3.331 -0.633 1.00 0.00 H new ATOM 0 HA THR A 72 8.402 -1.235 1.269 1.00 0.00 H new ATOM 0 HB THR A 72 9.284 -1.761 -1.598 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.282 -2.371 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.025 -0.074 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.390 0.617 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.308 0.229 0.456 1.00 0.00 H new ATOM 1055 N VAL A 73 6.634 0.320 0.474 1.00 0.00 N ATOM 1056 CA VAL A 73 5.672 1.318 0.020 1.00 0.00 C ATOM 1057 C VAL A 73 6.126 1.964 -1.284 1.00 0.00 C ATOM 1058 O VAL A 73 7.299 2.291 -1.469 1.00 0.00 O ATOM 1059 CB VAL A 73 5.461 2.416 1.078 1.00 0.00 C ATOM 1060 CG1 VAL A 73 4.444 3.438 0.592 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.024 1.804 2.401 1.00 0.00 C ATOM 0 H VAL A 73 6.819 0.339 1.477 1.00 0.00 H new ATOM 0 HA VAL A 73 4.729 0.797 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 73 6.409 2.930 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.308 4.206 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.802 3.899 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.492 2.942 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.879 2.594 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.088 1.264 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.791 1.115 2.754 1.00 0.00 H new ATOM 1071 N PRO A 74 5.176 2.155 -2.212 1.00 0.00 N ATOM 1072 CA PRO A 74 5.454 2.765 -3.516 1.00 0.00 C ATOM 1073 C PRO A 74 5.780 4.250 -3.403 1.00 0.00 C ATOM 1074 O PRO A 74 5.561 4.865 -2.359 1.00 0.00 O ATOM 1075 CB PRO A 74 4.149 2.561 -4.288 1.00 0.00 C ATOM 1076 CG PRO A 74 3.099 2.453 -3.237 1.00 0.00 C ATOM 1077 CD PRO A 74 3.758 1.789 -2.060 1.00 0.00 C ATOM 0 HA PRO A 74 6.324 2.319 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.952 3.396 -4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.189 1.661 -4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.716 3.437 -2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.251 1.867 -3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.349 2.148 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.618 0.708 -2.078 1.00 0.00 H new ATOM 1085 N GLU A 75 6.302 4.821 -4.484 1.00 0.00 N ATOM 1086 CA GLU A 75 6.658 6.235 -4.504 1.00 0.00 C ATOM 1087 C GLU A 75 5.557 7.063 -5.161 1.00 0.00 C ATOM 1088 O GLU A 75 5.181 6.818 -6.307 1.00 0.00 O ATOM 1089 CB GLU A 75 7.979 6.441 -5.248 1.00 0.00 C ATOM 1090 CG GLU A 75 8.096 7.801 -5.915 1.00 0.00 C ATOM 1091 CD GLU A 75 9.526 8.153 -6.275 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.415 7.978 -5.414 1.00 0.00 O ATOM 1093 OE2 GLU A 75 9.758 8.604 -7.416 1.00 0.00 O ATOM 0 H GLU A 75 6.488 4.327 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 75 6.775 6.569 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.804 6.317 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.085 5.664 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.485 7.813 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.695 8.564 -5.248 1.00 0.00 H new ATOM 1100 N TYR A 76 5.045 8.044 -4.426 1.00 0.00 N ATOM 1101 CA TYR A 76 3.985 8.907 -4.935 1.00 0.00 C ATOM 1102 C TYR A 76 4.396 9.554 -6.254 1.00 0.00 C ATOM 1103 O TYR A 76 5.576 9.581 -6.604 1.00 0.00 O ATOM 1104 CB TYR A 76 3.642 9.987 -3.908 1.00 0.00 C ATOM 1105 CG TYR A 76 2.291 10.628 -4.133 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.170 9.854 -4.406 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.136 12.008 -4.073 1.00 0.00 C ATOM 1108 CE1 TYR A 76 -0.066 10.436 -4.613 1.00 0.00 C ATOM 1109 CE2 TYR A 76 0.903 12.597 -4.277 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.195 11.807 -4.547 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.424 12.391 -4.752 1.00 0.00 O ATOM 0 H TYR A 76 5.347 8.262 -3.476 1.00 0.00 H new ATOM 0 HA TYR A 76 3.103 8.292 -5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.665 9.549 -2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.411 10.759 -3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.266 8.780 -4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.994 12.630 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.927 9.820 -4.826 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.799 13.671 -4.225 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.714 12.229 -5.674 1.00 0.00 H new ATOM 1121 N SER A 77 3.413 10.076 -6.980 1.00 0.00 N ATOM 1122 CA SER A 77 3.671 10.722 -8.262 1.00 0.00 C ATOM 1123 C SER A 77 4.290 12.102 -8.061 1.00 0.00 C ATOM 1124 O SER A 77 5.154 12.524 -8.828 1.00 0.00 O ATOM 1125 CB SER A 77 2.374 10.844 -9.065 1.00 0.00 C ATOM 1126 OG SER A 77 2.530 11.738 -10.153 1.00 0.00 O ATOM 0 H SER A 77 2.431 10.064 -6.703 1.00 0.00 H new ATOM 0 HA SER A 77 4.377 10.104 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.079 9.863 -9.436 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.572 11.194 -8.415 1.00 0.00 H new ATOM 0 HG SER A 77 1.688 11.797 -10.651 1.00 0.00 H new ATOM 1132 N ASN A 78 3.840 12.800 -7.024 1.00 0.00 N ATOM 1133 CA ASN A 78 4.348 14.133 -6.721 1.00 0.00 C ATOM 1134 C ASN A 78 5.144 14.129 -5.419 1.00 0.00 C ATOM 1135 O ASN A 78 4.572 14.085 -4.329 1.00 0.00 O ATOM 1136 CB ASN A 78 3.193 15.131 -6.623 1.00 0.00 C ATOM 1137 CG ASN A 78 3.630 16.552 -6.925 1.00 0.00 C ATOM 1138 OD1 ASN A 78 4.710 16.981 -6.517 1.00 0.00 O ATOM 1139 ND2 ASN A 78 2.790 17.289 -7.642 1.00 0.00 N ATOM 0 H ASN A 78 3.124 12.465 -6.379 1.00 0.00 H new ATOM 0 HA ASN A 78 5.012 14.435 -7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.405 14.840 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.765 15.090 -5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.029 18.253 -7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.906 16.892 -7.959 1.00 0.00 H new ATOM 1146 N LYS A 79 6.466 14.176 -5.540 1.00 0.00 N ATOM 1147 CA LYS A 79 7.342 14.180 -4.374 1.00 0.00 C ATOM 1148 C LYS A 79 7.621 15.605 -3.908 1.00 0.00 C ATOM 1149 O LYS A 79 7.823 15.850 -2.719 1.00 0.00 O ATOM 1150 CB LYS A 79 8.659 13.471 -4.698 1.00 0.00 C ATOM 1151 CG LYS A 79 8.626 11.975 -4.435 1.00 0.00 C ATOM 1152 CD LYS A 79 9.998 11.446 -4.053 1.00 0.00 C ATOM 1153 CE LYS A 79 10.866 11.211 -5.280 1.00 0.00 C ATOM 1154 NZ LYS A 79 12.305 11.069 -4.923 1.00 0.00 N ATOM 0 H LYS A 79 6.955 14.212 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 79 6.837 13.646 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.905 13.642 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.458 13.918 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.917 11.761 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.270 11.456 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.491 12.155 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.888 10.513 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.529 10.312 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.745 12.042 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.863 10.910 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.633 11.937 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.425 10.261 -4.280 1.00 0.00 H new ATOM 1168 N ARG A 80 7.628 16.541 -4.852 1.00 0.00 N ATOM 1169 CA ARG A 80 7.882 17.941 -4.537 1.00 0.00 C ATOM 1170 C ARG A 80 6.648 18.591 -3.916 1.00 0.00 C ATOM 1171 O ARG A 80 6.205 19.652 -4.356 1.00 0.00 O ATOM 1172 CB ARG A 80 8.293 18.703 -5.798 1.00 0.00 C ATOM 1173 CG ARG A 80 9.705 18.391 -6.265 1.00 0.00 C ATOM 1174 CD ARG A 80 10.317 19.565 -7.012 1.00 0.00 C ATOM 1175 NE ARG A 80 11.654 19.258 -7.514 1.00 0.00 N ATOM 1176 CZ ARG A 80 12.407 20.127 -8.178 1.00 0.00 C ATOM 1177 NH1 ARG A 80 11.958 21.351 -8.419 1.00 0.00 N ATOM 1178 NH2 ARG A 80 13.613 19.773 -8.603 1.00 0.00 N ATOM 0 H ARG A 80 7.461 16.355 -5.841 1.00 0.00 H new ATOM 0 HA ARG A 80 8.696 17.983 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.594 18.466 -6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.210 19.773 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.327 18.141 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.690 17.514 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.671 19.840 -7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.368 20.429 -6.350 1.00 0.00 H new ATOM 0 HE ARG A 80 12.030 18.325 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.032 21.628 -8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.539 22.016 -8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.963 18.832 -8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.191 20.441 -9.113 1.00 0.00 H new ATOM 1192 N VAL A 81 6.098 17.946 -2.892 1.00 0.00 N ATOM 1193 CA VAL A 81 4.916 18.460 -2.211 1.00 0.00 C ATOM 1194 C VAL A 81 5.242 18.871 -0.780 1.00 0.00 C ATOM 1195 O VAL A 81 5.795 18.087 -0.009 1.00 0.00 O ATOM 1196 CB VAL A 81 3.782 17.418 -2.189 1.00 0.00 C ATOM 1197 CG1 VAL A 81 3.391 17.024 -3.606 1.00 0.00 C ATOM 1198 CG2 VAL A 81 4.197 16.197 -1.382 1.00 0.00 C ATOM 0 H VAL A 81 6.452 17.067 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 81 4.584 19.334 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 81 2.911 17.864 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.589 16.287 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.050 17.906 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.254 16.596 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.384 15.471 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.082 15.747 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.422 16.497 -0.359 1.00 0.00 H new ATOM 1208 N SER A 82 4.894 20.105 -0.430 1.00 0.00 N ATOM 1209 CA SER A 82 5.152 20.622 0.909 1.00 0.00 C ATOM 1210 C SER A 82 4.074 20.162 1.886 1.00 0.00 C ATOM 1211 O SER A 82 4.224 20.297 3.101 1.00 0.00 O ATOM 1212 CB SER A 82 5.217 22.150 0.885 1.00 0.00 C ATOM 1213 OG SER A 82 6.041 22.642 1.928 1.00 0.00 O ATOM 0 H SER A 82 4.432 20.766 -1.055 1.00 0.00 H new ATOM 0 HA SER A 82 6.112 20.230 1.244 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.604 22.486 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.213 22.561 0.986 1.00 0.00 H new ATOM 0 HG SER A 82 6.067 23.621 1.890 1.00 0.00 H new ATOM 1219 N ARG A 83 2.988 19.620 1.346 1.00 0.00 N ATOM 1220 CA ARG A 83 1.884 19.141 2.169 1.00 0.00 C ATOM 1221 C ARG A 83 1.681 17.640 1.987 1.00 0.00 C ATOM 1222 O ARG A 83 2.057 17.056 0.970 1.00 0.00 O ATOM 1223 CB ARG A 83 0.596 19.887 1.815 1.00 0.00 C ATOM 1224 CG ARG A 83 0.489 21.258 2.461 1.00 0.00 C ATOM 1225 CD ARG A 83 -0.723 22.022 1.951 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.963 21.552 2.562 1.00 0.00 N ATOM 1227 CZ ARG A 83 -2.302 21.803 3.822 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -1.498 22.515 4.600 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -3.448 21.341 4.306 1.00 0.00 N ATOM 0 H ARG A 83 2.849 19.501 0.343 1.00 0.00 H new ATOM 0 HA ARG A 83 2.132 19.332 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.537 19.999 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.259 19.283 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.421 21.147 3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.394 21.830 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.596 23.084 2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.789 21.916 0.868 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.604 21.001 1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.616 22.872 4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.761 22.706 5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.069 20.793 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.708 21.534 5.273 1.00 0.00 H new ATOM 1243 N PRO A 84 1.074 16.998 2.996 1.00 0.00 N ATOM 1244 CA PRO A 84 0.807 15.556 2.971 1.00 0.00 C ATOM 1245 C PRO A 84 -0.268 15.183 1.956 1.00 0.00 C ATOM 1246 O PRO A 84 -1.165 15.975 1.667 1.00 0.00 O ATOM 1247 CB PRO A 84 0.326 15.260 4.394 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.230 16.553 4.883 1.00 0.00 C ATOM 1249 CD PRO A 84 0.599 17.630 4.239 1.00 0.00 C ATOM 0 HA PRO A 84 1.686 14.983 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.431 14.476 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.146 14.917 5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.281 16.654 4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.175 16.615 5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.009 18.524 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.428 17.934 4.877 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.172 13.971 1.418 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.138 13.492 0.437 1.00 0.00 C ATOM 1259 C VAL A 85 -1.921 12.299 0.973 1.00 0.00 C ATOM 1260 O VAL A 85 -1.360 11.419 1.625 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.447 13.089 -0.880 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.470 12.596 -1.891 1.00 0.00 C ATOM 1263 CG2 VAL A 85 0.350 14.256 -1.442 1.00 0.00 C ATOM 0 H VAL A 85 0.565 13.303 1.645 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.825 14.315 0.242 1.00 0.00 H new ATOM 0 HB VAL A 85 0.245 12.273 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.963 12.316 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.993 11.729 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.189 13.389 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.831 13.954 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.319 15.094 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.110 14.558 -0.722 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.220 12.277 0.693 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.080 11.191 1.148 1.00 0.00 C ATOM 1275 C GLN A 86 -4.254 10.140 0.056 1.00 0.00 C ATOM 1276 O GLN A 86 -4.785 10.427 -1.017 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.446 11.737 1.569 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.448 10.653 1.934 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.060 9.899 3.191 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.668 10.499 4.193 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.167 8.577 3.145 1.00 0.00 N ATOM 0 H GLN A 86 -3.700 12.998 0.154 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.604 10.720 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.315 12.402 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.854 12.339 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.430 11.104 2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.535 9.950 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.496 8.121 2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.920 8.017 3.961 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.803 8.922 0.337 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.910 7.828 -0.620 1.00 0.00 C ATOM 1292 C VAL A 87 -4.438 6.563 0.047 1.00 0.00 C ATOM 1293 O VAL A 87 -4.533 6.488 1.272 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.549 7.520 -1.275 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.975 8.770 -1.924 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.582 6.950 -0.249 1.00 0.00 C ATOM 0 H VAL A 87 -3.360 8.668 1.220 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.612 8.149 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.700 6.772 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.014 8.534 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.662 9.131 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.837 9.542 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.626 6.738 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.434 7.674 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.992 6.029 0.165 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.779 5.570 -0.767 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.300 4.308 -0.256 1.00 0.00 C ATOM 1308 C TYR A 88 -4.676 3.124 -0.989 1.00 0.00 C ATOM 1309 O TYR A 88 -4.106 3.279 -2.069 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.822 4.265 -0.397 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.533 5.352 0.377 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.557 6.661 -0.087 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.183 5.069 1.572 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.204 7.657 0.617 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.834 6.058 2.283 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.842 7.351 1.802 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.489 8.340 2.506 1.00 0.00 O ATOM 0 H TYR A 88 -4.704 5.615 -1.783 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.038 4.237 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.083 4.351 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.183 3.294 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.061 6.904 -1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.179 4.058 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.211 8.670 0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.334 5.820 3.210 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.887 7.958 3.316 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.790 1.941 -0.395 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.238 0.730 -0.990 1.00 0.00 C ATOM 1329 C PHE A 89 -5.017 -0.502 -0.538 1.00 0.00 C ATOM 1330 O PHE A 89 -5.914 -0.410 0.300 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.762 0.580 -0.616 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.520 0.548 0.866 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.936 -0.533 1.627 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.876 1.599 1.499 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.714 -0.564 2.991 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.651 1.573 2.863 1.00 0.00 C ATOM 1337 CZ PHE A 89 -2.070 0.490 3.609 1.00 0.00 C ATOM 0 H PHE A 89 -5.260 1.795 0.498 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.324 0.815 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.374 -0.337 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.199 1.406 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.439 -1.360 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.546 2.449 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.044 -1.412 3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.148 2.399 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.895 0.467 4.674 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.668 -1.654 -1.100 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.336 -2.904 -0.758 1.00 0.00 C ATOM 1349 C TYR A 90 -4.550 -4.102 -1.283 1.00 0.00 C ATOM 1350 O TYR A 90 -3.621 -3.951 -2.076 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.755 -2.921 -1.328 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.801 -2.914 -2.839 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.386 -1.802 -3.561 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -7.257 -4.021 -3.545 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.427 -1.791 -4.942 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -7.300 -4.019 -4.926 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.885 -2.902 -5.620 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.926 -2.896 -6.995 1.00 0.00 O ATOM 0 H TYR A 90 -3.927 -1.748 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.388 -2.974 0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.274 -3.806 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.299 -2.054 -0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.025 -0.931 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.583 -4.898 -3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.102 -0.917 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.657 -4.888 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.272 -3.755 -7.316 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.931 -5.294 -0.834 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.265 -6.520 -1.258 1.00 0.00 C ATOM 1370 C VAL A 91 -5.157 -7.337 -2.186 1.00 0.00 C ATOM 1371 O VAL A 91 -6.268 -7.719 -1.819 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.867 -7.389 -0.051 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.924 -8.502 -0.482 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.232 -6.533 1.035 1.00 0.00 C ATOM 0 H VAL A 91 -5.698 -5.437 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.364 -6.221 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.768 -7.846 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.654 -9.106 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.418 -9.131 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.024 -8.068 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.957 -7.163 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.340 -6.046 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.943 -5.775 1.364 1.00 0.00 H new ATOM 1384 N SER A 92 -4.663 -7.602 -3.391 1.00 0.00 N ATOM 1385 CA SER A 92 -5.417 -8.371 -4.375 1.00 0.00 C ATOM 1386 C SER A 92 -4.866 -9.789 -4.492 1.00 0.00 C ATOM 1387 O SER A 92 -3.695 -9.988 -4.810 1.00 0.00 O ATOM 1388 CB SER A 92 -5.371 -7.680 -5.738 1.00 0.00 C ATOM 1389 OG SER A 92 -5.855 -8.534 -6.760 1.00 0.00 O ATOM 0 H SER A 92 -3.744 -7.296 -3.710 1.00 0.00 H new ATOM 0 HA SER A 92 -6.453 -8.428 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.969 -6.769 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.347 -7.382 -5.964 1.00 0.00 H new ATOM 0 HG SER A 92 -5.817 -8.068 -7.621 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.722 -10.773 -4.233 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.323 -12.173 -4.308 1.00 0.00 C ATOM 1397 C ASN A 93 -6.336 -12.985 -5.109 1.00 0.00 C ATOM 1398 O ASN A 93 -7.401 -13.339 -4.606 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.178 -12.761 -2.903 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.171 -12.003 -2.060 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.346 -11.254 -2.583 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.234 -12.195 -0.748 1.00 0.00 N ATOM 0 H ASN A 93 -6.696 -10.626 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.360 -12.223 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.147 -12.748 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.872 -13.804 -2.979 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.582 -11.712 -0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.935 -12.825 -0.358 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.995 -13.277 -6.361 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.885 -14.046 -7.212 1.00 0.00 C ATOM 1411 C GLY A 94 -7.576 -13.188 -8.253 1.00 0.00 C ATOM 1412 O GLY A 94 -6.920 -12.484 -9.021 1.00 0.00 O ATOM 0 H GLY A 94 -5.119 -12.995 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.317 -14.831 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.636 -14.539 -6.595 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.903 -13.247 -8.281 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.683 -12.472 -9.238 1.00 0.00 C ATOM 1418 C ARG A 95 -10.650 -11.536 -8.519 1.00 0.00 C ATOM 1419 O ARG A 95 -10.658 -10.329 -8.762 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.458 -13.404 -10.171 1.00 0.00 C ATOM 1421 CG ARG A 95 -9.568 -14.202 -11.110 1.00 0.00 C ATOM 1422 CD ARG A 95 -9.241 -13.416 -12.370 1.00 0.00 C ATOM 1423 NE ARG A 95 -8.050 -12.587 -12.204 1.00 0.00 N ATOM 1424 CZ ARG A 95 -6.834 -13.080 -11.999 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -6.649 -14.391 -11.936 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -5.800 -12.261 -11.857 1.00 0.00 N ATOM 0 H ARG A 95 -9.461 -13.824 -7.651 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.992 -11.870 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.051 -14.095 -9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.158 -12.813 -10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.644 -14.470 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.065 -15.134 -11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.089 -14.107 -13.199 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.089 -12.784 -12.633 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.158 -11.574 -12.248 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.442 -15.024 -12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.714 -14.767 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.939 -11.252 -11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.867 -12.641 -11.700 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.465 -12.101 -7.634 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.437 -11.317 -6.882 1.00 0.00 C ATOM 1442 C ARG A 96 -12.084 -11.292 -5.397 1.00 0.00 C ATOM 1443 O ARG A 96 -12.539 -10.423 -4.654 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.843 -11.890 -7.072 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.103 -13.149 -6.261 1.00 0.00 C ATOM 1446 CD ARG A 96 -14.657 -12.819 -4.884 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.104 -12.620 -4.909 1.00 0.00 N ATOM 1448 CZ ARG A 96 -16.842 -12.453 -3.818 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -16.272 -12.460 -2.620 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -18.153 -12.277 -3.922 1.00 0.00 N ATOM 0 H ARG A 96 -11.471 -13.098 -7.420 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.413 -10.295 -7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.575 -11.132 -6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.997 -12.110 -8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -14.807 -13.788 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.177 -13.714 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.414 -13.626 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.174 -11.918 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.573 -12.609 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.264 -12.594 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.841 -12.331 -1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.595 -12.270 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -18.719 -12.149 -3.083 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.270 -12.252 -4.972 1.00 0.00 N ATOM 1465 CA LYS A 97 -10.854 -12.342 -3.578 1.00 0.00 C ATOM 1466 C LYS A 97 -9.762 -11.322 -3.269 1.00 0.00 C ATOM 1467 O LYS A 97 -8.618 -11.475 -3.696 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.352 -13.753 -3.263 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.317 -14.849 -3.681 1.00 0.00 C ATOM 1470 CD LYS A 97 -10.695 -16.227 -3.527 1.00 0.00 C ATOM 1471 CE LYS A 97 -10.653 -16.660 -2.070 1.00 0.00 C ATOM 1472 NZ LYS A 97 -9.924 -17.946 -1.894 1.00 0.00 N ATOM 0 H LYS A 97 -10.885 -12.980 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.719 -12.123 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.397 -13.910 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.166 -13.833 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.222 -14.788 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.615 -14.697 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.266 -16.952 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.684 -16.219 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.171 -15.885 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.670 -16.765 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.918 -18.207 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.399 -18.692 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.946 -17.839 -2.230 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.124 -10.282 -2.524 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.174 -9.238 -2.159 1.00 0.00 C ATOM 1488 C ARG A 98 -9.619 -8.519 -0.888 1.00 0.00 C ATOM 1489 O ARG A 98 -10.678 -8.815 -0.334 1.00 0.00 O ATOM 1490 CB ARG A 98 -9.026 -8.231 -3.301 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.346 -7.633 -3.761 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.742 -6.438 -2.909 1.00 0.00 C ATOM 1493 NE ARG A 98 -11.914 -5.749 -3.444 1.00 0.00 N ATOM 1494 CZ ARG A 98 -12.237 -4.499 -3.134 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -11.480 -3.803 -2.298 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -13.319 -3.941 -3.662 1.00 0.00 N ATOM 0 H ARG A 98 -11.067 -10.140 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.209 -9.709 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.364 -7.426 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.545 -8.722 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.264 -7.327 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.127 -8.391 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.950 -6.771 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.906 -5.741 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.517 -6.256 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.647 -4.227 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.731 -2.843 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.904 -4.472 -4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.566 -2.981 -3.423 1.00 0.00 H new ATOM 1510 N SER A 99 -8.803 -7.575 -0.431 1.00 0.00 N ATOM 1511 CA SER A 99 -9.109 -6.818 0.776 1.00 0.00 C ATOM 1512 C SER A 99 -9.563 -5.403 0.429 1.00 0.00 C ATOM 1513 O SER A 99 -9.325 -4.899 -0.668 1.00 0.00 O ATOM 1514 CB SER A 99 -7.886 -6.763 1.694 1.00 0.00 C ATOM 1515 OG SER A 99 -6.684 -6.806 0.944 1.00 0.00 O ATOM 0 H SER A 99 -7.924 -7.316 -0.879 1.00 0.00 H new ATOM 0 HA SER A 99 -9.922 -7.325 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.915 -5.850 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.913 -7.600 2.392 1.00 0.00 H new ATOM 0 HG SER A 99 -5.936 -6.516 1.507 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.234 -4.746 1.387 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.735 -3.380 1.208 1.00 0.00 C ATOM 1523 C PRO A 100 -9.611 -2.352 1.154 1.00 0.00 C ATOM 1524 O PRO A 100 -8.437 -2.690 1.314 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.605 -3.156 2.448 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.049 -4.082 3.473 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.554 -5.286 2.720 1.00 0.00 C ATOM 0 HA PRO A 100 -11.272 -3.263 0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.557 -2.120 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.652 -3.376 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.239 -3.609 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.811 -4.363 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.678 -5.726 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.313 -6.066 2.666 1.00 0.00 H new ATOM 1535 N THR A 101 -9.975 -1.094 0.927 1.00 0.00 N ATOM 1536 CA THR A 101 -8.997 -0.016 0.851 1.00 0.00 C ATOM 1537 C THR A 101 -8.615 0.479 2.241 1.00 0.00 C ATOM 1538 O THR A 101 -9.466 0.600 3.121 1.00 0.00 O ATOM 1539 CB THR A 101 -9.530 1.169 0.024 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.831 1.546 0.491 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.599 0.812 -1.453 1.00 0.00 C ATOM 0 H THR A 101 -10.941 -0.796 0.792 1.00 0.00 H new ATOM 0 HA THR A 101 -8.114 -0.424 0.359 1.00 0.00 H new ATOM 0 HB THR A 101 -8.843 2.007 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.163 2.301 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.978 1.665 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.603 0.554 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.266 -0.039 -1.591 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.331 0.764 2.430 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.838 1.246 3.715 1.00 0.00 C ATOM 1551 C GLN A 102 -6.504 2.733 3.647 1.00 0.00 C ATOM 1552 O GLN A 102 -5.910 3.202 2.676 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.601 0.453 4.140 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.927 -0.894 4.764 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.428 -1.901 3.748 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -5.651 -2.459 2.973 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.735 -2.140 3.746 1.00 0.00 N ATOM 0 H GLN A 102 -6.614 0.670 1.711 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.625 1.102 4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.963 0.296 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.027 1.045 4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.036 -1.289 5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.682 -0.758 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.343 -1.655 4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.130 -2.808 3.085 1.00 0.00 H new ATOM 1566 N SER A 103 -6.892 3.470 4.683 1.00 0.00 N ATOM 1567 CA SER A 103 -6.638 4.905 4.738 1.00 0.00 C ATOM 1568 C SER A 103 -5.166 5.185 5.024 1.00 0.00 C ATOM 1569 O SER A 103 -4.665 4.891 6.110 1.00 0.00 O ATOM 1570 CB SER A 103 -7.511 5.557 5.812 1.00 0.00 C ATOM 1571 OG SER A 103 -6.943 6.776 6.260 1.00 0.00 O ATOM 0 H SER A 103 -7.383 3.097 5.495 1.00 0.00 H new ATOM 0 HA SER A 103 -6.889 5.332 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.508 5.742 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.627 4.875 6.654 1.00 0.00 H new ATOM 0 HG SER A 103 -7.520 7.174 6.945 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.477 5.755 4.041 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.062 6.075 4.184 1.00 0.00 C ATOM 1579 C PHE A 104 -2.787 7.520 3.777 1.00 0.00 C ATOM 1580 O PHE A 104 -3.537 8.111 3.001 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.214 5.124 3.337 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.816 4.943 3.857 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.562 4.084 4.914 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.243 5.631 3.288 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.723 3.916 5.394 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.530 5.467 3.764 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.771 4.607 4.818 1.00 0.00 C ATOM 0 H PHE A 104 -4.876 6.005 3.136 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.792 5.954 5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.706 4.152 3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.167 5.503 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.377 3.540 5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.061 6.303 2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.908 3.244 6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.347 6.011 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.776 4.475 5.191 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.706 8.082 4.307 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.332 9.458 4.001 1.00 0.00 C ATOM 1599 C ARG A 105 0.185 9.628 4.028 1.00 0.00 C ATOM 1600 O ARG A 105 0.849 9.218 4.980 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.981 10.419 4.998 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.669 11.882 4.726 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.183 12.778 5.841 1.00 0.00 C ATOM 1604 NE ARG A 105 -3.582 13.149 5.644 1.00 0.00 N ATOM 1605 CZ ARG A 105 -4.239 13.987 6.438 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.626 14.540 7.476 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.511 14.276 6.193 1.00 0.00 N ATOM 0 H ARG A 105 -1.074 7.606 4.950 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.689 9.690 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.061 10.277 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.646 10.166 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.592 12.012 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.120 12.182 3.780 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.075 12.265 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.573 13.680 5.892 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.082 12.742 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.648 14.322 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.133 15.183 8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.985 13.854 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.014 14.920 6.803 1.00 0.00 H new ATOM 1621 N PHE A 106 0.725 10.234 2.976 1.00 0.00 N ATOM 1622 CA PHE A 106 2.163 10.457 2.877 1.00 0.00 C ATOM 1623 C PHE A 106 2.550 11.795 3.500 1.00 0.00 C ATOM 1624 O PHE A 106 1.810 12.775 3.403 1.00 0.00 O ATOM 1625 CB PHE A 106 2.608 10.415 1.414 1.00 0.00 C ATOM 1626 CG PHE A 106 2.254 9.132 0.717 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.558 7.909 1.291 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.618 9.151 -0.514 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.234 6.727 0.652 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.290 7.972 -1.158 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.600 6.759 -0.574 1.00 0.00 C ATOM 0 H PHE A 106 0.189 10.579 2.180 1.00 0.00 H new ATOM 0 HA PHE A 106 2.667 9.661 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.151 11.248 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.687 10.559 1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.054 7.878 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.376 10.097 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.476 5.780 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.792 7.999 -2.116 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.347 5.837 -1.076 1.00 0.00 H new ATOM 1641 N LEU A 107 3.713 11.829 4.140 1.00 0.00 N ATOM 1642 CA LEU A 107 4.200 13.046 4.779 1.00 0.00 C ATOM 1643 C LEU A 107 5.446 13.572 4.073 1.00 0.00 C ATOM 1644 O LEU A 107 6.310 12.811 3.638 1.00 0.00 O ATOM 1645 CB LEU A 107 4.509 12.782 6.254 1.00 0.00 C ATOM 1646 CG LEU A 107 3.409 12.085 7.056 1.00 0.00 C ATOM 1647 CD1 LEU A 107 3.960 11.559 8.372 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.246 13.034 7.303 1.00 0.00 C ATOM 0 H LEU A 107 4.337 11.027 4.230 1.00 0.00 H new ATOM 0 HA LEU A 107 3.418 13.802 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.413 12.176 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.733 13.735 6.734 1.00 0.00 H new ATOM 0 HG LEU A 107 3.043 11.238 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.163 11.066 8.929 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.759 10.845 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.354 12.389 8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.473 12.521 7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.596 13.901 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.834 13.361 6.348 1.00 0.00 H new ATOM 1660 N PRO A 108 5.543 14.905 3.958 1.00 0.00 N ATOM 1661 CA PRO A 108 6.681 15.562 3.309 1.00 0.00 C ATOM 1662 C PRO A 108 7.964 15.441 4.124 1.00 0.00 C ATOM 1663 O PRO A 108 8.092 16.042 5.190 1.00 0.00 O ATOM 1664 CB PRO A 108 6.241 17.025 3.219 1.00 0.00 C ATOM 1665 CG PRO A 108 5.256 17.194 4.324 1.00 0.00 C ATOM 1666 CD PRO A 108 4.550 15.872 4.454 1.00 0.00 C ATOM 0 HA PRO A 108 6.915 15.112 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.088 17.701 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.791 17.244 2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.756 17.463 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.550 17.993 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.270 15.666 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.634 15.846 3.864 1.00 0.00 H new ATOM 1674 N VAL A 109 8.911 14.659 3.616 1.00 0.00 N ATOM 1675 CA VAL A 109 10.185 14.460 4.296 1.00 0.00 C ATOM 1676 C VAL A 109 11.154 15.597 3.992 1.00 0.00 C ATOM 1677 O VAL A 109 12.003 15.939 4.815 1.00 0.00 O ATOM 1678 CB VAL A 109 10.835 13.124 3.892 1.00 0.00 C ATOM 1679 CG1 VAL A 109 10.008 11.952 4.400 1.00 0.00 C ATOM 1680 CG2 VAL A 109 11.007 13.051 2.382 1.00 0.00 C ATOM 0 H VAL A 109 8.820 14.153 2.735 1.00 0.00 H new ATOM 0 HA VAL A 109 9.973 14.443 5.365 1.00 0.00 H new ATOM 0 HB VAL A 109 11.822 13.067 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.483 11.016 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.941 11.998 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 109 9.006 12.001 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.468 12.100 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.032 13.130 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.644 13.870 2.048 1.00 0.00 H new ATOM 1690 N ILE A 110 11.021 16.178 2.804 1.00 0.00 N ATOM 1691 CA ILE A 110 11.884 17.278 2.391 1.00 0.00 C ATOM 1692 C ILE A 110 12.237 18.173 3.574 1.00 0.00 C ATOM 1693 O ILE A 110 11.355 18.655 4.286 1.00 0.00 O ATOM 1694 CB ILE A 110 11.222 18.132 1.295 1.00 0.00 C ATOM 1695 CG1 ILE A 110 10.953 17.284 0.050 1.00 0.00 C ATOM 1696 CG2 ILE A 110 12.101 19.325 0.950 1.00 0.00 C ATOM 1697 CD1 ILE A 110 9.749 17.741 -0.744 1.00 0.00 C ATOM 0 H ILE A 110 10.324 15.905 2.111 1.00 0.00 H new ATOM 0 HA ILE A 110 12.795 16.832 1.991 1.00 0.00 H new ATOM 0 HB ILE A 110 10.269 18.504 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 110 11.833 17.308 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 110 10.807 16.247 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.619 19.919 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.247 19.939 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 110 13.068 18.973 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.619 17.095 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 110 8.859 17.690 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.901 18.768 -1.076 1.00 0.00 H new ATOM 1709 N CYS A 111 13.532 18.393 3.776 1.00 0.00 N ATOM 1710 CA CYS A 111 14.002 19.233 4.873 1.00 0.00 C ATOM 1711 C CYS A 111 13.087 20.437 5.067 1.00 0.00 C ATOM 1712 O CYS A 111 12.662 21.070 4.100 1.00 0.00 O ATOM 1713 CB CYS A 111 15.433 19.702 4.606 1.00 0.00 C ATOM 1714 SG CYS A 111 16.672 18.389 4.711 1.00 0.00 S ATOM 0 H CYS A 111 14.274 18.002 3.196 1.00 0.00 H new ATOM 0 HA CYS A 111 13.987 18.638 5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 111 15.478 20.150 3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 111 15.687 20.484 5.321 1.00 0.00 H new ATOM 0 HG CYS A 111 17.850 18.883 4.468 1.00 0.00 H new ATOM 1720 N LYS A 112 12.785 20.748 6.323 1.00 0.00 N ATOM 1721 CA LYS A 112 11.920 21.876 6.646 1.00 0.00 C ATOM 1722 C LYS A 112 12.580 23.196 6.261 1.00 0.00 C ATOM 1723 O LYS A 112 13.802 23.330 6.324 1.00 0.00 O ATOM 1724 CB LYS A 112 11.585 21.878 8.139 1.00 0.00 C ATOM 1725 CG LYS A 112 10.409 20.987 8.500 1.00 0.00 C ATOM 1726 CD LYS A 112 10.833 19.536 8.652 1.00 0.00 C ATOM 1727 CE LYS A 112 11.514 19.292 9.989 1.00 0.00 C ATOM 1728 NZ LYS A 112 12.170 17.956 10.042 1.00 0.00 N ATOM 0 H LYS A 112 13.127 20.234 7.135 1.00 0.00 H new ATOM 0 HA LYS A 112 10.999 21.770 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.461 21.553 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.366 22.899 8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.960 21.335 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.643 21.064 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.960 18.890 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.512 19.267 7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.258 20.069 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.779 19.368 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.623 17.828 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.456 17.213 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.890 17.893 9.294 1.00 0.00 H new ATOM 1742 N GLU A 113 11.764 24.167 5.864 1.00 0.00 N ATOM 1743 CA GLU A 113 12.271 25.477 5.470 1.00 0.00 C ATOM 1744 C GLU A 113 12.320 26.424 6.665 1.00 0.00 C ATOM 1745 O GLU A 113 11.413 26.436 7.497 1.00 0.00 O ATOM 1746 CB GLU A 113 11.396 26.076 4.366 1.00 0.00 C ATOM 1747 CG GLU A 113 11.502 25.341 3.040 1.00 0.00 C ATOM 1748 CD GLU A 113 10.577 25.912 1.982 1.00 0.00 C ATOM 1749 OE1 GLU A 113 10.384 27.146 1.966 1.00 0.00 O ATOM 1750 OE2 GLU A 113 10.045 25.125 1.172 1.00 0.00 O ATOM 0 H GLU A 113 10.750 24.072 5.807 1.00 0.00 H new ATOM 0 HA GLU A 113 13.284 25.347 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.356 26.069 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.676 27.119 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 113 12.531 25.390 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.267 24.288 3.193 1.00 0.00 H new ATOM 1757 N GLU A 114 13.385 27.215 6.743 1.00 0.00 N ATOM 1758 CA GLU A 114 13.553 28.164 7.837 1.00 0.00 C ATOM 1759 C GLU A 114 13.489 29.600 7.326 1.00 0.00 C ATOM 1760 O GLU A 114 13.099 30.512 8.055 1.00 0.00 O ATOM 1761 CB GLU A 114 14.885 27.923 8.550 1.00 0.00 C ATOM 1762 CG GLU A 114 16.100 28.229 7.690 1.00 0.00 C ATOM 1763 CD GLU A 114 16.233 29.706 7.373 1.00 0.00 C ATOM 1764 OE1 GLU A 114 16.634 30.472 8.274 1.00 0.00 O ATOM 1765 OE2 GLU A 114 15.936 30.096 6.224 1.00 0.00 O ATOM 0 H GLU A 114 14.144 27.218 6.062 1.00 0.00 H new ATOM 0 HA GLU A 114 12.738 28.012 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.923 28.538 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.932 26.883 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.999 27.889 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.033 27.666 6.759 1.00 0.00 H new TER 1772 GLU A 114