USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 954 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 73 TYR OH : rot 9:sc= 0.47 USER MOD Set 1.2: A 107 SER OG : rot -51:sc= 1.01 USER MOD Set 2.1: A 66 THR OG1 : rot -60:sc= 1.04 USER MOD Set 2.2: A 67 SER OG : rot 115:sc= 0.456 USER MOD Set 3.1: A 52 SER OG : rot 180:sc= -0.0194 USER MOD Set 3.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.243 K(o=-0.24,f=-3.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0532 X(o=-0.053,f=-0.053) USER MOD Single : A 23 THR OG1 : rot -110:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0599 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= -0.197 (180deg=-0.197) USER MOD Single : A 36 THR OG1 : rot -52:sc= 1.26 USER MOD Single : A 37 SER OG : rot -172:sc= 0.951 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.846 F(o=-1.5!,f=-0.85) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0782 USER MOD Single : A 48 CYS SG : rot 170:sc= -0.172 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.057) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.95) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -55:sc= 0.021 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 171:sc=-0.000346 (180deg=-0.149) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -0.665 F(o=-2.4,f=-0.66) USER MOD Single : A 100 TYR OH : rot 150:sc= -0.912 USER MOD Single : A 101 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 102 THR OG1 : rot -43:sc= 0.143 USER MOD Single : A 103 HIS : no HD1:sc=-0.00707 X(o=-0.0071,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-12!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.0869 X(o=-0.087,f=-0.36) USER MOD Single : A 117 TYR OH : rot -140:sc= -3.44! USER MOD Single : A 119 TYR OH : rot 30:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.436 -4.426 -15.871 1.00 0.00 N ATOM 2 CA GLY A 1 -37.079 -4.910 -16.050 1.00 0.00 C ATOM 3 C GLY A 1 -36.352 -4.195 -17.172 1.00 0.00 C ATOM 4 O GLY A 1 -36.249 -4.714 -18.284 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.890 -4.946 -15.093 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.416 -3.411 -15.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.976 -4.574 -16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.524 -4.780 -15.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.103 -5.979 -16.260 1.00 0.00 H new ATOM 8 N SER A 2 -35.848 -3.000 -16.882 1.00 0.00 N ATOM 9 CA SER A 2 -35.132 -2.210 -17.876 1.00 0.00 C ATOM 10 C SER A 2 -34.171 -3.085 -18.676 1.00 0.00 C ATOM 11 O SER A 2 -33.675 -4.096 -18.179 1.00 0.00 O ATOM 12 CB SER A 2 -34.361 -1.075 -17.199 1.00 0.00 C ATOM 13 OG SER A 2 -35.183 0.066 -17.024 1.00 0.00 O ATOM 0 H SER A 2 -35.922 -2.558 -15.966 1.00 0.00 H new ATOM 0 HA SER A 2 -35.865 -1.784 -18.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.989 -1.411 -16.231 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.491 -0.812 -17.801 1.00 0.00 H new ATOM 0 HG SER A 2 -34.668 0.777 -16.588 1.00 0.00 H new ATOM 19 N SER A 3 -33.915 -2.689 -19.918 1.00 0.00 N ATOM 20 CA SER A 3 -33.017 -3.438 -20.790 1.00 0.00 C ATOM 21 C SER A 3 -31.709 -2.682 -21.002 1.00 0.00 C ATOM 22 O SER A 3 -31.667 -1.681 -21.717 1.00 0.00 O ATOM 23 CB SER A 3 -33.688 -3.708 -22.138 1.00 0.00 C ATOM 24 OG SER A 3 -32.749 -4.175 -23.090 1.00 0.00 O ATOM 0 H SER A 3 -34.317 -1.854 -20.344 1.00 0.00 H new ATOM 0 HA SER A 3 -32.792 -4.389 -20.307 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.481 -4.446 -22.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.158 -2.795 -22.503 1.00 0.00 H new ATOM 0 HG SER A 3 -33.203 -4.342 -23.942 1.00 0.00 H new ATOM 30 N GLY A 4 -30.643 -3.169 -20.375 1.00 0.00 N ATOM 31 CA GLY A 4 -29.348 -2.527 -20.507 1.00 0.00 C ATOM 32 C GLY A 4 -28.375 -2.958 -19.427 1.00 0.00 C ATOM 33 O GLY A 4 -28.528 -2.593 -18.262 1.00 0.00 O ATOM 0 H GLY A 4 -30.653 -3.996 -19.778 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.928 -2.761 -21.485 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.476 -1.445 -20.466 1.00 0.00 H new ATOM 37 N SER A 5 -27.371 -3.738 -19.815 1.00 0.00 N ATOM 38 CA SER A 5 -26.372 -4.224 -18.870 1.00 0.00 C ATOM 39 C SER A 5 -25.551 -3.069 -18.306 1.00 0.00 C ATOM 40 O SER A 5 -24.736 -2.470 -19.008 1.00 0.00 O ATOM 41 CB SER A 5 -25.448 -5.238 -19.549 1.00 0.00 C ATOM 42 OG SER A 5 -26.189 -6.306 -20.112 1.00 0.00 O ATOM 0 H SER A 5 -27.228 -4.047 -20.777 1.00 0.00 H new ATOM 0 HA SER A 5 -26.893 -4.712 -18.047 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.869 -4.742 -20.328 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.735 -5.629 -18.823 1.00 0.00 H new ATOM 0 HG SER A 5 -25.576 -6.939 -20.541 1.00 0.00 H new ATOM 48 N SER A 6 -25.772 -2.761 -17.031 1.00 0.00 N ATOM 49 CA SER A 6 -25.056 -1.675 -16.372 1.00 0.00 C ATOM 50 C SER A 6 -23.659 -2.122 -15.952 1.00 0.00 C ATOM 51 O SER A 6 -23.460 -3.259 -15.526 1.00 0.00 O ATOM 52 CB SER A 6 -25.837 -1.189 -15.150 1.00 0.00 C ATOM 53 OG SER A 6 -26.795 -0.210 -15.514 1.00 0.00 O ATOM 0 H SER A 6 -26.441 -3.248 -16.435 1.00 0.00 H new ATOM 0 HA SER A 6 -24.958 -0.854 -17.082 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.337 -2.033 -14.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.147 -0.772 -14.416 1.00 0.00 H new ATOM 0 HG SER A 6 -27.282 0.083 -14.716 1.00 0.00 H new ATOM 59 N GLY A 7 -22.693 -1.217 -16.074 1.00 0.00 N ATOM 60 CA GLY A 7 -21.326 -1.535 -15.704 1.00 0.00 C ATOM 61 C GLY A 7 -20.334 -1.198 -16.799 1.00 0.00 C ATOM 62 O GLY A 7 -20.435 -1.708 -17.915 1.00 0.00 O ATOM 0 H GLY A 7 -22.833 -0.269 -16.423 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.062 -0.989 -14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.255 -2.597 -15.468 1.00 0.00 H new ATOM 66 N GLU A 8 -19.375 -0.334 -16.481 1.00 0.00 N ATOM 67 CA GLU A 8 -18.363 0.072 -17.449 1.00 0.00 C ATOM 68 C GLU A 8 -17.266 -0.982 -17.565 1.00 0.00 C ATOM 69 O GLU A 8 -17.073 -1.794 -16.660 1.00 0.00 O ATOM 70 CB GLU A 8 -17.752 1.417 -17.047 1.00 0.00 C ATOM 71 CG GLU A 8 -18.688 2.596 -17.252 1.00 0.00 C ATOM 72 CD GLU A 8 -19.168 2.719 -18.685 1.00 0.00 C ATOM 73 OE1 GLU A 8 -18.312 2.818 -19.589 1.00 0.00 O ATOM 74 OE2 GLU A 8 -20.397 2.716 -18.903 1.00 0.00 O ATOM 0 H GLU A 8 -19.278 0.098 -15.562 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.847 0.176 -18.420 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.459 1.374 -15.998 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.843 1.581 -17.625 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.549 2.490 -16.592 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.177 3.515 -16.964 1.00 0.00 H new ATOM 81 N ASP A 9 -16.552 -0.964 -18.685 1.00 0.00 N ATOM 82 CA ASP A 9 -15.475 -1.917 -18.921 1.00 0.00 C ATOM 83 C ASP A 9 -14.113 -1.243 -18.787 1.00 0.00 C ATOM 84 O ASP A 9 -13.583 -0.694 -19.753 1.00 0.00 O ATOM 85 CB ASP A 9 -15.613 -2.543 -20.310 1.00 0.00 C ATOM 86 CG ASP A 9 -15.978 -1.523 -21.370 1.00 0.00 C ATOM 87 OD1 ASP A 9 -17.181 -1.216 -21.508 1.00 0.00 O ATOM 88 OD2 ASP A 9 -15.062 -1.034 -22.064 1.00 0.00 O ATOM 0 H ASP A 9 -16.700 -0.299 -19.444 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.548 -2.702 -18.168 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.675 -3.026 -20.583 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.376 -3.321 -20.281 1.00 0.00 H new ATOM 93 N TYR A 10 -13.553 -1.287 -17.583 1.00 0.00 N ATOM 94 CA TYR A 10 -12.254 -0.677 -17.322 1.00 0.00 C ATOM 95 C TYR A 10 -11.349 -1.632 -16.551 1.00 0.00 C ATOM 96 O TYR A 10 -11.458 -1.759 -15.331 1.00 0.00 O ATOM 97 CB TYR A 10 -12.428 0.625 -16.537 1.00 0.00 C ATOM 98 CG TYR A 10 -12.847 1.797 -17.394 1.00 0.00 C ATOM 99 CD1 TYR A 10 -14.046 1.778 -18.095 1.00 0.00 C ATOM 100 CD2 TYR A 10 -12.043 2.926 -17.502 1.00 0.00 C ATOM 101 CE1 TYR A 10 -14.433 2.847 -18.880 1.00 0.00 C ATOM 102 CE2 TYR A 10 -12.422 4.000 -18.284 1.00 0.00 C ATOM 103 CZ TYR A 10 -13.617 3.956 -18.971 1.00 0.00 C ATOM 104 OH TYR A 10 -13.999 5.023 -19.751 1.00 0.00 O ATOM 0 H TYR A 10 -13.978 -1.738 -16.773 1.00 0.00 H new ATOM 0 HA TYR A 10 -11.785 -0.456 -18.281 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.173 0.472 -15.756 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -11.489 0.867 -16.039 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.687 0.912 -18.025 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.106 2.964 -16.966 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.368 2.815 -19.419 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.786 4.870 -18.357 1.00 0.00 H new ATOM 0 HH TYR A 10 -13.314 5.723 -19.706 1.00 0.00 H new ATOM 114 N GLU A 11 -10.456 -2.302 -17.272 1.00 0.00 N ATOM 115 CA GLU A 11 -9.531 -3.247 -16.656 1.00 0.00 C ATOM 116 C GLU A 11 -8.093 -2.953 -17.076 1.00 0.00 C ATOM 117 O GLU A 11 -7.150 -3.219 -16.330 1.00 0.00 O ATOM 118 CB GLU A 11 -9.903 -4.681 -17.037 1.00 0.00 C ATOM 119 CG GLU A 11 -9.806 -4.959 -18.528 1.00 0.00 C ATOM 120 CD GLU A 11 -11.104 -4.677 -19.259 1.00 0.00 C ATOM 121 OE1 GLU A 11 -12.169 -5.102 -18.763 1.00 0.00 O ATOM 122 OE2 GLU A 11 -11.056 -4.031 -20.327 1.00 0.00 O ATOM 0 H GLU A 11 -10.353 -2.208 -18.282 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.605 -3.136 -15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.249 -5.371 -16.504 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.921 -4.884 -16.703 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.012 -4.348 -18.957 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.525 -6.001 -18.682 1.00 0.00 H new ATOM 129 N LYS A 12 -7.934 -2.405 -18.275 1.00 0.00 N ATOM 130 CA LYS A 12 -6.613 -2.074 -18.797 1.00 0.00 C ATOM 131 C LYS A 12 -5.994 -0.920 -18.016 1.00 0.00 C ATOM 132 O LYS A 12 -4.862 -0.514 -18.281 1.00 0.00 O ATOM 133 CB LYS A 12 -6.705 -1.709 -20.280 1.00 0.00 C ATOM 134 CG LYS A 12 -7.407 -2.760 -21.123 1.00 0.00 C ATOM 135 CD LYS A 12 -6.590 -4.038 -21.215 1.00 0.00 C ATOM 136 CE LYS A 12 -6.839 -4.764 -22.528 1.00 0.00 C ATOM 137 NZ LYS A 12 -8.116 -5.530 -22.505 1.00 0.00 N ATOM 0 H LYS A 12 -8.704 -2.180 -18.905 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.975 -2.950 -18.684 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.235 -0.762 -20.380 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.699 -1.554 -20.671 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.383 -2.981 -20.691 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.583 -2.367 -22.124 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.530 -3.801 -21.124 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.843 -4.694 -20.382 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.864 -4.041 -23.344 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.011 -5.444 -22.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.249 -6.010 -23.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.083 -6.237 -21.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.909 -4.878 -22.338 1.00 0.00 H new ATOM 151 N VAL A 13 -6.742 -0.396 -17.050 1.00 0.00 N ATOM 152 CA VAL A 13 -6.264 0.710 -16.228 1.00 0.00 C ATOM 153 C VAL A 13 -4.987 0.333 -15.486 1.00 0.00 C ATOM 154 O VAL A 13 -4.774 -0.822 -15.114 1.00 0.00 O ATOM 155 CB VAL A 13 -7.329 1.150 -15.205 1.00 0.00 C ATOM 156 CG1 VAL A 13 -8.602 1.587 -15.913 1.00 0.00 C ATOM 157 CG2 VAL A 13 -7.616 0.027 -14.220 1.00 0.00 C ATOM 0 H VAL A 13 -7.681 -0.719 -16.817 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.055 1.539 -16.904 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.942 2.003 -14.647 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.342 1.894 -15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.381 2.424 -16.575 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.996 0.756 -16.498 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.370 0.355 -13.505 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.983 -0.846 -14.760 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.701 -0.234 -13.689 1.00 0.00 H new ATOM 167 N PRO A 14 -4.116 1.327 -15.264 1.00 0.00 N ATOM 168 CA PRO A 14 -2.844 1.124 -14.563 1.00 0.00 C ATOM 169 C PRO A 14 -3.041 0.833 -13.079 1.00 0.00 C ATOM 170 O PRO A 14 -2.521 -0.153 -12.555 1.00 0.00 O ATOM 171 CB PRO A 14 -2.117 2.457 -14.755 1.00 0.00 C ATOM 172 CG PRO A 14 -3.203 3.456 -14.960 1.00 0.00 C ATOM 173 CD PRO A 14 -4.304 2.727 -15.679 1.00 0.00 C ATOM 0 HA PRO A 14 -2.297 0.265 -14.951 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.510 2.706 -13.885 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.445 2.421 -15.613 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.554 3.852 -14.007 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.848 4.304 -15.546 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.287 3.102 -15.394 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.221 2.840 -16.760 1.00 0.00 H new ATOM 181 N LEU A 15 -3.793 1.697 -12.406 1.00 0.00 N ATOM 182 CA LEU A 15 -4.059 1.532 -10.981 1.00 0.00 C ATOM 183 C LEU A 15 -5.555 1.405 -10.717 1.00 0.00 C ATOM 184 O LEU A 15 -6.279 2.396 -10.615 1.00 0.00 O ATOM 185 CB LEU A 15 -3.489 2.715 -10.196 1.00 0.00 C ATOM 186 CG LEU A 15 -2.082 2.527 -9.626 1.00 0.00 C ATOM 187 CD1 LEU A 15 -2.071 1.419 -8.586 1.00 0.00 C ATOM 188 CD2 LEU A 15 -1.092 2.225 -10.741 1.00 0.00 C ATOM 0 H LEU A 15 -4.229 2.519 -12.824 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.572 0.615 -10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.481 3.588 -10.848 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.166 2.939 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.780 3.455 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.062 1.300 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.750 1.676 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.393 0.485 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.096 2.094 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.391 1.311 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.079 3.053 -11.450 1.00 0.00 H new ATOM 200 N PRO A 16 -6.033 0.157 -10.601 1.00 0.00 N ATOM 201 CA PRO A 16 -7.447 -0.129 -10.345 1.00 0.00 C ATOM 202 C PRO A 16 -7.873 0.269 -8.936 1.00 0.00 C ATOM 203 O PRO A 16 -7.187 -0.035 -7.961 1.00 0.00 O ATOM 204 CB PRO A 16 -7.540 -1.646 -10.523 1.00 0.00 C ATOM 205 CG PRO A 16 -6.166 -2.146 -10.237 1.00 0.00 C ATOM 206 CD PRO A 16 -5.228 -1.071 -10.711 1.00 0.00 C ATOM 0 HA PRO A 16 -8.103 0.433 -11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.270 -2.081 -9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.854 -1.908 -11.533 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.034 -2.337 -9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.977 -3.086 -10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.331 -1.020 -10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.901 -1.246 -11.736 1.00 0.00 H new ATOM 214 N ASN A 17 -9.009 0.952 -8.836 1.00 0.00 N ATOM 215 CA ASN A 17 -9.526 1.392 -7.546 1.00 0.00 C ATOM 216 C ASN A 17 -9.477 0.258 -6.525 1.00 0.00 C ATOM 217 O ASN A 17 -9.502 0.496 -5.318 1.00 0.00 O ATOM 218 CB ASN A 17 -10.963 1.898 -7.694 1.00 0.00 C ATOM 219 CG ASN A 17 -11.307 2.966 -6.674 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.485 3.321 -5.829 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.528 3.482 -6.748 1.00 0.00 N ATOM 0 H ASN A 17 -9.589 1.213 -9.634 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.896 2.207 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.102 2.299 -8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.653 1.061 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.818 4.203 -6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.176 3.157 -7.465 1.00 0.00 H new ATOM 228 N SER A 18 -9.407 -0.973 -7.020 1.00 0.00 N ATOM 229 CA SER A 18 -9.358 -2.144 -6.151 1.00 0.00 C ATOM 230 C SER A 18 -8.233 -2.015 -5.129 1.00 0.00 C ATOM 231 O SER A 18 -8.459 -2.113 -3.923 1.00 0.00 O ATOM 232 CB SER A 18 -9.165 -3.414 -6.982 1.00 0.00 C ATOM 233 OG SER A 18 -10.409 -3.925 -7.429 1.00 0.00 O ATOM 0 H SER A 18 -9.383 -1.186 -8.017 1.00 0.00 H new ATOM 0 HA SER A 18 -10.305 -2.209 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.528 -3.198 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.652 -4.168 -6.385 1.00 0.00 H new ATOM 0 HG SER A 18 -10.258 -4.735 -7.959 1.00 0.00 H new ATOM 239 N VAL A 19 -7.018 -1.794 -5.621 1.00 0.00 N ATOM 240 CA VAL A 19 -5.856 -1.651 -4.752 1.00 0.00 C ATOM 241 C VAL A 19 -6.070 -0.544 -3.726 1.00 0.00 C ATOM 242 O VAL A 19 -5.488 -0.567 -2.641 1.00 0.00 O ATOM 243 CB VAL A 19 -4.583 -1.344 -5.563 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.391 -2.374 -6.666 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.646 0.062 -6.141 1.00 0.00 C ATOM 0 H VAL A 19 -6.813 -1.710 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.729 -2.602 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.725 -1.399 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.487 -2.141 -7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.298 -3.366 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.250 -2.354 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.739 0.262 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.513 0.147 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.732 0.785 -5.330 1.00 0.00 H new ATOM 255 N PHE A 20 -6.911 0.424 -4.075 1.00 0.00 N ATOM 256 CA PHE A 20 -7.203 1.541 -3.184 1.00 0.00 C ATOM 257 C PHE A 20 -8.280 1.162 -2.171 1.00 0.00 C ATOM 258 O PHE A 20 -9.462 1.081 -2.505 1.00 0.00 O ATOM 259 CB PHE A 20 -7.653 2.760 -3.991 1.00 0.00 C ATOM 260 CG PHE A 20 -6.669 3.178 -5.046 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.556 2.465 -6.229 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.855 4.283 -4.854 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.652 2.847 -7.201 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.949 4.670 -5.823 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.846 3.950 -6.998 1.00 0.00 C ATOM 0 H PHE A 20 -7.402 0.457 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.290 1.789 -2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.609 2.539 -4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.820 3.595 -3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.182 1.600 -6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.930 4.848 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.576 2.284 -8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.322 5.534 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.137 4.249 -7.756 1.00 0.00 H new ATOM 275 N VAL A 21 -7.861 0.930 -0.931 1.00 0.00 N ATOM 276 CA VAL A 21 -8.788 0.560 0.132 1.00 0.00 C ATOM 277 C VAL A 21 -8.990 1.711 1.110 1.00 0.00 C ATOM 278 O VAL A 21 -8.048 2.429 1.443 1.00 0.00 O ATOM 279 CB VAL A 21 -8.290 -0.676 0.906 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.900 -0.428 1.471 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.268 -1.040 2.013 1.00 0.00 C ATOM 0 H VAL A 21 -6.886 0.992 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.739 0.322 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.230 -1.517 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.565 -1.312 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.208 -0.219 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.930 0.425 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.901 -1.915 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.362 -0.203 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.243 -1.263 1.579 1.00 0.00 H new ATOM 291 N ASN A 22 -10.226 1.881 1.569 1.00 0.00 N ATOM 292 CA ASN A 22 -10.553 2.945 2.510 1.00 0.00 C ATOM 293 C ASN A 22 -10.248 2.518 3.943 1.00 0.00 C ATOM 294 O ASN A 22 -10.891 2.972 4.889 1.00 0.00 O ATOM 295 CB ASN A 22 -12.028 3.331 2.385 1.00 0.00 C ATOM 296 CG ASN A 22 -12.307 4.727 2.905 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.942 4.899 3.946 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.833 5.734 2.181 1.00 0.00 N ATOM 0 H ASN A 22 -11.018 1.295 1.304 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.936 3.810 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.329 3.269 1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.636 2.613 2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.990 6.696 2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.312 5.545 1.325 1.00 0.00 H new ATOM 305 N THR A 23 -9.260 1.641 4.095 1.00 0.00 N ATOM 306 CA THR A 23 -8.869 1.151 5.411 1.00 0.00 C ATOM 307 C THR A 23 -7.590 1.827 5.891 1.00 0.00 C ATOM 308 O THR A 23 -6.626 1.963 5.137 1.00 0.00 O ATOM 309 CB THR A 23 -8.658 -0.375 5.402 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.692 -0.881 6.741 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.331 -0.734 4.752 1.00 0.00 C ATOM 0 H THR A 23 -8.716 1.256 3.323 1.00 0.00 H new ATOM 0 HA THR A 23 -9.683 1.394 6.094 1.00 0.00 H new ATOM 0 HB THR A 23 -9.462 -0.828 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.794 -1.172 7.003 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.204 -1.817 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.320 -0.372 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.516 -0.271 5.308 1.00 0.00 H new ATOM 319 N THR A 24 -7.586 2.249 7.152 1.00 0.00 N ATOM 320 CA THR A 24 -6.425 2.911 7.733 1.00 0.00 C ATOM 321 C THR A 24 -5.725 2.008 8.742 1.00 0.00 C ATOM 322 O THR A 24 -5.177 2.483 9.736 1.00 0.00 O ATOM 323 CB THR A 24 -6.819 4.229 8.427 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.798 3.975 9.441 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.372 5.227 7.420 1.00 0.00 C ATOM 0 H THR A 24 -8.375 2.144 7.790 1.00 0.00 H new ATOM 0 HA THR A 24 -5.743 3.131 6.912 1.00 0.00 H new ATOM 0 HB THR A 24 -5.925 4.655 8.883 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.042 4.817 9.879 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.643 6.150 7.933 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.615 5.441 6.666 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.255 4.807 6.938 1.00 0.00 H new ATOM 333 N GLU A 25 -5.747 0.706 8.479 1.00 0.00 N ATOM 334 CA GLU A 25 -5.114 -0.263 9.366 1.00 0.00 C ATOM 335 C GLU A 25 -4.521 -1.422 8.570 1.00 0.00 C ATOM 336 O GLU A 25 -4.917 -1.676 7.432 1.00 0.00 O ATOM 337 CB GLU A 25 -6.125 -0.794 10.384 1.00 0.00 C ATOM 338 CG GLU A 25 -6.691 0.281 11.296 1.00 0.00 C ATOM 339 CD GLU A 25 -7.139 -0.268 12.637 1.00 0.00 C ATOM 340 OE1 GLU A 25 -8.267 -0.798 12.715 1.00 0.00 O ATOM 341 OE2 GLU A 25 -6.360 -0.167 13.609 1.00 0.00 O ATOM 0 H GLU A 25 -6.196 0.297 7.659 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.307 0.242 9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.945 -1.276 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.646 -1.561 10.993 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.936 1.050 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.536 0.762 10.804 1.00 0.00 H new ATOM 348 N SER A 26 -3.568 -2.123 9.177 1.00 0.00 N ATOM 349 CA SER A 26 -2.916 -3.253 8.525 1.00 0.00 C ATOM 350 C SER A 26 -3.667 -4.550 8.809 1.00 0.00 C ATOM 351 O SER A 26 -3.890 -5.361 7.909 1.00 0.00 O ATOM 352 CB SER A 26 -1.466 -3.374 8.997 1.00 0.00 C ATOM 353 OG SER A 26 -1.404 -3.687 10.378 1.00 0.00 O ATOM 0 H SER A 26 -3.230 -1.928 10.120 1.00 0.00 H new ATOM 0 HA SER A 26 -2.926 -3.076 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.956 -4.147 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.940 -2.438 8.809 1.00 0.00 H new ATOM 0 HG SER A 26 -0.467 -3.761 10.655 1.00 0.00 H new ATOM 359 N CYS A 27 -4.053 -4.740 10.066 1.00 0.00 N ATOM 360 CA CYS A 27 -4.777 -5.939 10.470 1.00 0.00 C ATOM 361 C CYS A 27 -5.842 -6.305 9.441 1.00 0.00 C ATOM 362 O CYS A 27 -6.043 -7.478 9.131 1.00 0.00 O ATOM 363 CB CYS A 27 -5.425 -5.732 11.840 1.00 0.00 C ATOM 364 SG CYS A 27 -6.250 -7.201 12.497 1.00 0.00 S ATOM 0 H CYS A 27 -3.876 -4.079 10.822 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.062 -6.760 10.534 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.660 -5.412 12.547 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.151 -4.922 11.768 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.765 -6.927 13.659 1.00 0.00 H new ATOM 370 N GLU A 28 -6.522 -5.290 8.915 1.00 0.00 N ATOM 371 CA GLU A 28 -7.569 -5.506 7.922 1.00 0.00 C ATOM 372 C GLU A 28 -6.972 -5.962 6.594 1.00 0.00 C ATOM 373 O GLU A 28 -7.212 -7.083 6.145 1.00 0.00 O ATOM 374 CB GLU A 28 -8.380 -4.225 7.717 1.00 0.00 C ATOM 375 CG GLU A 28 -9.502 -4.371 6.703 1.00 0.00 C ATOM 376 CD GLU A 28 -10.779 -4.908 7.320 1.00 0.00 C ATOM 377 OE1 GLU A 28 -11.210 -4.363 8.358 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.347 -5.872 6.765 1.00 0.00 O ATOM 0 H GLU A 28 -6.367 -4.312 9.159 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.230 -6.290 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.803 -3.916 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.710 -3.429 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.703 -3.402 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.180 -5.039 5.904 1.00 0.00 H new ATOM 385 N VAL A 29 -6.194 -5.084 5.969 1.00 0.00 N ATOM 386 CA VAL A 29 -5.562 -5.395 4.692 1.00 0.00 C ATOM 387 C VAL A 29 -5.158 -6.863 4.622 1.00 0.00 C ATOM 388 O VAL A 29 -5.569 -7.587 3.716 1.00 0.00 O ATOM 389 CB VAL A 29 -4.317 -4.520 4.454 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.654 -4.883 3.134 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.689 -3.045 4.485 1.00 0.00 C ATOM 0 H VAL A 29 -5.986 -4.151 6.326 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.298 -5.186 3.916 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.603 -4.708 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.776 -4.255 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.352 -5.930 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.358 -4.725 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.798 -2.441 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.422 -2.838 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.115 -2.798 5.457 1.00 0.00 H new ATOM 401 N GLU A 30 -4.352 -7.296 5.586 1.00 0.00 N ATOM 402 CA GLU A 30 -3.892 -8.679 5.633 1.00 0.00 C ATOM 403 C GLU A 30 -5.065 -9.647 5.507 1.00 0.00 C ATOM 404 O GLU A 30 -4.970 -10.670 4.828 1.00 0.00 O ATOM 405 CB GLU A 30 -3.135 -8.945 6.936 1.00 0.00 C ATOM 406 CG GLU A 30 -2.414 -10.282 6.960 1.00 0.00 C ATOM 407 CD GLU A 30 -1.436 -10.397 8.113 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.887 -10.630 9.253 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.219 -10.255 7.873 1.00 0.00 O ATOM 0 H GLU A 30 -4.004 -6.710 6.345 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.218 -8.839 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.409 -8.148 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.837 -8.906 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.148 -11.085 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.879 -10.419 6.020 1.00 0.00 H new ATOM 416 N ARG A 31 -6.171 -9.316 6.166 1.00 0.00 N ATOM 417 CA ARG A 31 -7.362 -10.156 6.130 1.00 0.00 C ATOM 418 C ARG A 31 -7.962 -10.188 4.727 1.00 0.00 C ATOM 419 O ARG A 31 -8.194 -11.259 4.164 1.00 0.00 O ATOM 420 CB ARG A 31 -8.402 -9.646 7.129 1.00 0.00 C ATOM 421 CG ARG A 31 -9.645 -10.517 7.213 1.00 0.00 C ATOM 422 CD ARG A 31 -10.514 -10.136 8.401 1.00 0.00 C ATOM 423 NE ARG A 31 -11.887 -10.609 8.249 1.00 0.00 N ATOM 424 CZ ARG A 31 -12.745 -10.710 9.258 1.00 0.00 C ATOM 425 NH1 ARG A 31 -12.373 -10.373 10.486 1.00 0.00 N ATOM 426 NH2 ARG A 31 -13.978 -11.150 9.041 1.00 0.00 N ATOM 0 H ARG A 31 -6.267 -8.472 6.731 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.070 -11.169 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.945 -9.584 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.696 -8.634 6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.222 -10.419 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.352 -11.564 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.086 -10.554 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.515 -9.052 8.517 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.205 -10.876 7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.426 -10.035 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.034 -10.452 11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.268 -11.411 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.636 -11.227 9.817 1.00 0.00 H new ATOM 440 N LEU A 32 -8.211 -9.009 4.169 1.00 0.00 N ATOM 441 CA LEU A 32 -8.784 -8.901 2.831 1.00 0.00 C ATOM 442 C LEU A 32 -8.014 -9.764 1.837 1.00 0.00 C ATOM 443 O LEU A 32 -8.583 -10.645 1.192 1.00 0.00 O ATOM 444 CB LEU A 32 -8.780 -7.443 2.369 1.00 0.00 C ATOM 445 CG LEU A 32 -9.357 -6.425 3.354 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.347 -5.031 2.747 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.769 -6.821 3.763 1.00 0.00 C ATOM 0 H LEU A 32 -8.025 -8.114 4.622 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.813 -9.259 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.753 -7.157 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.342 -7.376 1.438 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.731 -6.415 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.761 -4.320 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.323 -4.747 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.950 -5.025 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.164 -6.086 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.406 -6.860 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.749 -7.802 4.239 1.00 0.00 H new ATOM 459 N PHE A 33 -6.715 -9.507 1.721 1.00 0.00 N ATOM 460 CA PHE A 33 -5.865 -10.261 0.807 1.00 0.00 C ATOM 461 C PHE A 33 -6.285 -11.727 0.758 1.00 0.00 C ATOM 462 O PHE A 33 -6.679 -12.238 -0.290 1.00 0.00 O ATOM 463 CB PHE A 33 -4.400 -10.151 1.232 1.00 0.00 C ATOM 464 CG PHE A 33 -3.734 -8.888 0.768 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.472 -7.732 0.569 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.369 -8.855 0.530 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.862 -6.568 0.142 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.753 -7.694 0.103 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.500 -6.549 -0.091 1.00 0.00 C ATOM 0 H PHE A 33 -6.228 -8.782 2.249 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.979 -9.836 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.340 -10.205 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.851 -11.007 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.537 -7.741 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.780 -9.747 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.449 -5.674 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.688 -7.682 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.021 -5.640 -0.424 1.00 0.00 H new ATOM 479 N LYS A 34 -6.197 -12.399 1.901 1.00 0.00 N ATOM 480 CA LYS A 34 -6.567 -13.807 1.992 1.00 0.00 C ATOM 481 C LYS A 34 -8.006 -14.021 1.533 1.00 0.00 C ATOM 482 O LYS A 34 -8.337 -15.062 0.967 1.00 0.00 O ATOM 483 CB LYS A 34 -6.398 -14.308 3.428 1.00 0.00 C ATOM 484 CG LYS A 34 -4.996 -14.115 3.979 1.00 0.00 C ATOM 485 CD LYS A 34 -5.014 -13.869 5.478 1.00 0.00 C ATOM 486 CE LYS A 34 -3.616 -13.608 6.017 1.00 0.00 C ATOM 487 NZ LYS A 34 -3.592 -13.581 7.506 1.00 0.00 N ATOM 0 H LYS A 34 -5.872 -11.991 2.778 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.907 -14.374 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.107 -13.787 4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.652 -15.367 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.394 -14.997 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.520 -13.273 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.656 -13.016 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.445 -14.733 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.938 -14.381 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.249 -12.657 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.622 -13.401 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.220 -12.826 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.918 -14.497 7.875 1.00 0.00 H new ATOM 501 N ALA A 35 -8.855 -13.030 1.781 1.00 0.00 N ATOM 502 CA ALA A 35 -10.257 -13.109 1.390 1.00 0.00 C ATOM 503 C ALA A 35 -10.400 -13.199 -0.126 1.00 0.00 C ATOM 504 O ALA A 35 -11.023 -14.123 -0.648 1.00 0.00 O ATOM 505 CB ALA A 35 -11.023 -11.908 1.924 1.00 0.00 C ATOM 0 H ALA A 35 -8.597 -12.162 2.251 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.678 -14.016 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.068 -11.981 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.958 -11.889 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.592 -10.992 1.519 1.00 0.00 H new ATOM 511 N THR A 36 -9.819 -12.231 -0.829 1.00 0.00 N ATOM 512 CA THR A 36 -9.884 -12.199 -2.284 1.00 0.00 C ATOM 513 C THR A 36 -9.653 -13.586 -2.875 1.00 0.00 C ATOM 514 O THR A 36 -10.300 -13.971 -3.849 1.00 0.00 O ATOM 515 CB THR A 36 -8.845 -11.225 -2.872 1.00 0.00 C ATOM 516 OG1 THR A 36 -7.530 -11.775 -2.745 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.907 -9.878 -2.166 1.00 0.00 C ATOM 0 H THR A 36 -9.298 -11.459 -0.413 1.00 0.00 H new ATOM 0 HA THR A 36 -10.884 -11.855 -2.548 1.00 0.00 H new ATOM 0 HB THR A 36 -9.075 -11.076 -3.927 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.374 -12.037 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.165 -9.206 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.901 -9.448 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.700 -10.014 -1.105 1.00 0.00 H new ATOM 525 N SER A 37 -8.728 -14.332 -2.279 1.00 0.00 N ATOM 526 CA SER A 37 -8.411 -15.675 -2.749 1.00 0.00 C ATOM 527 C SER A 37 -9.496 -16.665 -2.338 1.00 0.00 C ATOM 528 O SER A 37 -9.983 -16.657 -1.207 1.00 0.00 O ATOM 529 CB SER A 37 -7.058 -16.125 -2.196 1.00 0.00 C ATOM 530 OG SER A 37 -6.002 -15.751 -3.064 1.00 0.00 O ATOM 0 H SER A 37 -8.185 -14.029 -1.470 1.00 0.00 H new ATOM 0 HA SER A 37 -8.361 -15.650 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.898 -15.683 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.058 -17.207 -2.063 1.00 0.00 H new ATOM 0 HG SER A 37 -5.166 -16.161 -2.758 1.00 0.00 H new ATOM 536 N PRO A 38 -9.885 -17.540 -3.277 1.00 0.00 N ATOM 537 CA PRO A 38 -10.916 -18.554 -3.037 1.00 0.00 C ATOM 538 C PRO A 38 -10.446 -19.642 -2.078 1.00 0.00 C ATOM 539 O PRO A 38 -11.250 -20.427 -1.573 1.00 0.00 O ATOM 540 CB PRO A 38 -11.169 -19.139 -4.428 1.00 0.00 C ATOM 541 CG PRO A 38 -9.903 -18.900 -5.176 1.00 0.00 C ATOM 542 CD PRO A 38 -9.347 -17.607 -4.646 1.00 0.00 C ATOM 0 HA PRO A 38 -11.805 -18.129 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.402 -20.202 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.014 -18.652 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.200 -19.719 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.089 -18.834 -6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.257 -17.607 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.668 -16.756 -5.246 1.00 0.00 H new ATOM 550 N ARG A 39 -9.141 -19.684 -1.831 1.00 0.00 N ATOM 551 CA ARG A 39 -8.565 -20.678 -0.934 1.00 0.00 C ATOM 552 C ARG A 39 -8.069 -20.025 0.353 1.00 0.00 C ATOM 553 O ARG A 39 -7.248 -20.593 1.073 1.00 0.00 O ATOM 554 CB ARG A 39 -7.413 -21.412 -1.623 1.00 0.00 C ATOM 555 CG ARG A 39 -7.867 -22.380 -2.703 1.00 0.00 C ATOM 556 CD ARG A 39 -6.852 -23.491 -2.918 1.00 0.00 C ATOM 557 NE ARG A 39 -7.283 -24.435 -3.946 1.00 0.00 N ATOM 558 CZ ARG A 39 -6.757 -25.645 -4.099 1.00 0.00 C ATOM 559 NH1 ARG A 39 -5.786 -26.057 -3.295 1.00 0.00 N ATOM 560 NH2 ARG A 39 -7.202 -26.447 -5.058 1.00 0.00 N ATOM 0 H ARG A 39 -8.463 -19.041 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.344 -21.397 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.738 -20.678 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.842 -21.959 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.828 -22.813 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.019 -21.839 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.894 -23.056 -3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.693 -24.024 -1.980 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.028 -24.149 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.441 -25.444 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.384 -26.987 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.949 -26.134 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.797 -27.376 -5.175 1.00 0.00 H new ATOM 574 N GLY A 40 -8.573 -18.827 0.636 1.00 0.00 N ATOM 575 CA GLY A 40 -8.169 -18.117 1.835 1.00 0.00 C ATOM 576 C GLY A 40 -6.664 -17.971 1.943 1.00 0.00 C ATOM 577 O GLY A 40 -6.123 -17.857 3.043 1.00 0.00 O ATOM 0 H GLY A 40 -9.254 -18.336 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.628 -17.128 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.543 -18.647 2.711 1.00 0.00 H new ATOM 581 N GLU A 41 -5.986 -17.977 0.799 1.00 0.00 N ATOM 582 CA GLU A 41 -4.534 -17.846 0.772 1.00 0.00 C ATOM 583 C GLU A 41 -4.089 -16.959 -0.387 1.00 0.00 C ATOM 584 O GLU A 41 -4.289 -17.279 -1.559 1.00 0.00 O ATOM 585 CB GLU A 41 -3.879 -19.224 0.655 1.00 0.00 C ATOM 586 CG GLU A 41 -4.345 -20.019 -0.553 1.00 0.00 C ATOM 587 CD GLU A 41 -3.754 -21.415 -0.596 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.645 -21.572 -1.150 1.00 0.00 O ATOM 589 OE2 GLU A 41 -4.399 -22.350 -0.078 1.00 0.00 O ATOM 0 H GLU A 41 -6.419 -18.071 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.219 -17.379 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.797 -19.099 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.090 -19.795 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.433 -20.089 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.071 -19.484 -1.463 1.00 0.00 H new ATOM 596 N PRO A 42 -3.472 -15.816 -0.053 1.00 0.00 N ATOM 597 CA PRO A 42 -2.986 -14.858 -1.051 1.00 0.00 C ATOM 598 C PRO A 42 -1.789 -15.391 -1.831 1.00 0.00 C ATOM 599 O PRO A 42 -1.105 -16.310 -1.382 1.00 0.00 O ATOM 600 CB PRO A 42 -2.580 -13.645 -0.210 1.00 0.00 C ATOM 601 CG PRO A 42 -2.271 -14.204 1.136 1.00 0.00 C ATOM 602 CD PRO A 42 -3.201 -15.370 1.324 1.00 0.00 C ATOM 0 HA PRO A 42 -3.741 -14.637 -1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.714 -13.139 -0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.385 -12.911 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.230 -14.521 1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.422 -13.455 1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.741 -16.159 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.116 -15.075 1.838 1.00 0.00 H new ATOM 610 N GLN A 43 -1.543 -14.807 -2.999 1.00 0.00 N ATOM 611 CA GLN A 43 -0.428 -15.224 -3.841 1.00 0.00 C ATOM 612 C GLN A 43 0.775 -14.307 -3.645 1.00 0.00 C ATOM 613 O GLN A 43 0.630 -13.155 -3.237 1.00 0.00 O ATOM 614 CB GLN A 43 -0.846 -15.230 -5.312 1.00 0.00 C ATOM 615 CG GLN A 43 -1.624 -16.471 -5.719 1.00 0.00 C ATOM 616 CD GLN A 43 -1.108 -17.729 -5.048 1.00 0.00 C ATOM 617 OE1 GLN A 43 0.208 -17.910 -5.060 1.00 0.00 O flip ATOM 618 NE2 GLN A 43 -1.883 -18.529 -4.524 1.00 0.00 N flip ATOM 0 H GLN A 43 -2.100 -14.044 -3.384 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.143 -16.234 -3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.455 -14.348 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.045 -15.150 -5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.676 -16.335 -5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.568 -16.592 -6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.887 -18.350 -4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.521 -19.371 -4.076 1.00 0.00 H new ATOM 627 N ASP A 44 1.962 -14.826 -3.939 1.00 0.00 N ATOM 628 CA ASP A 44 3.191 -14.054 -3.796 1.00 0.00 C ATOM 629 C ASP A 44 3.198 -12.863 -4.750 1.00 0.00 C ATOM 630 O ASP A 44 3.181 -13.031 -5.968 1.00 0.00 O ATOM 631 CB ASP A 44 4.409 -14.940 -4.057 1.00 0.00 C ATOM 632 CG ASP A 44 5.714 -14.172 -3.972 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.931 -13.278 -4.816 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.517 -14.465 -3.062 1.00 0.00 O ATOM 0 H ASP A 44 2.099 -15.778 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 44 3.238 -13.678 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.423 -15.755 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.321 -15.392 -5.045 1.00 0.00 H new ATOM 639 N GLY A 45 3.224 -11.659 -4.186 1.00 0.00 N ATOM 640 CA GLY A 45 3.232 -10.459 -5.001 1.00 0.00 C ATOM 641 C GLY A 45 2.004 -9.598 -4.778 1.00 0.00 C ATOM 642 O GLY A 45 1.911 -8.487 -5.302 1.00 0.00 O ATOM 0 H GLY A 45 3.240 -11.494 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.126 -9.877 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.290 -10.738 -6.053 1.00 0.00 H new ATOM 646 N LEU A 46 1.058 -10.111 -3.999 1.00 0.00 N ATOM 647 CA LEU A 46 -0.172 -9.383 -3.709 1.00 0.00 C ATOM 648 C LEU A 46 0.133 -8.026 -3.082 1.00 0.00 C ATOM 649 O LEU A 46 0.560 -7.946 -1.930 1.00 0.00 O ATOM 650 CB LEU A 46 -1.064 -10.201 -2.773 1.00 0.00 C ATOM 651 CG LEU A 46 -2.570 -9.975 -2.913 1.00 0.00 C ATOM 652 CD1 LEU A 46 -2.997 -10.111 -4.367 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.339 -10.951 -2.035 1.00 0.00 C ATOM 0 H LEU A 46 1.119 -11.028 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.698 -9.218 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.859 -11.258 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.778 -9.979 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.799 -8.962 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.072 -9.947 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.471 -9.372 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.755 -11.112 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.409 -10.776 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.105 -11.972 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.055 -10.805 -0.993 1.00 0.00 H new ATOM 665 N TYR A 47 -0.090 -6.963 -3.846 1.00 0.00 N ATOM 666 CA TYR A 47 0.162 -5.610 -3.366 1.00 0.00 C ATOM 667 C TYR A 47 -1.111 -4.770 -3.413 1.00 0.00 C ATOM 668 O TYR A 47 -2.084 -5.134 -4.073 1.00 0.00 O ATOM 669 CB TYR A 47 1.256 -4.944 -4.202 1.00 0.00 C ATOM 670 CG TYR A 47 0.840 -4.659 -5.627 1.00 0.00 C ATOM 671 CD1 TYR A 47 0.993 -5.617 -6.622 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.293 -3.431 -5.979 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.615 -5.360 -7.925 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.089 -3.166 -7.280 1.00 0.00 C ATOM 675 CZ TYR A 47 0.074 -4.133 -8.250 1.00 0.00 C ATOM 676 OH TYR A 47 -0.305 -3.874 -9.547 1.00 0.00 O ATOM 0 H TYR A 47 -0.445 -7.012 -4.801 1.00 0.00 H new ATOM 0 HA TYR A 47 0.495 -5.676 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.548 -4.009 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.136 -5.586 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.415 -6.579 -6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.164 -2.671 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.742 -6.116 -8.686 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.513 -2.206 -7.536 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.668 -2.966 -9.607 1.00 0.00 H new ATOM 686 N CYS A 48 -1.095 -3.644 -2.707 1.00 0.00 N ATOM 687 CA CYS A 48 -2.247 -2.751 -2.667 1.00 0.00 C ATOM 688 C CYS A 48 -1.843 -1.365 -2.174 1.00 0.00 C ATOM 689 O CYS A 48 -0.664 -1.097 -1.940 1.00 0.00 O ATOM 690 CB CYS A 48 -3.336 -3.330 -1.763 1.00 0.00 C ATOM 691 SG CYS A 48 -3.175 -2.865 -0.023 1.00 0.00 S ATOM 0 H CYS A 48 -0.297 -3.329 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.638 -2.657 -3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.309 -3.001 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.318 -4.417 -1.841 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.247 -3.219 0.622 1.00 0.00 H new ATOM 697 N ILE A 49 -2.829 -0.487 -2.020 1.00 0.00 N ATOM 698 CA ILE A 49 -2.576 0.871 -1.556 1.00 0.00 C ATOM 699 C ILE A 49 -3.628 1.311 -0.544 1.00 0.00 C ATOM 700 O ILE A 49 -4.791 1.517 -0.892 1.00 0.00 O ATOM 701 CB ILE A 49 -2.556 1.872 -2.727 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.473 1.486 -3.737 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.328 3.285 -2.212 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.688 2.083 -5.110 1.00 0.00 C ATOM 0 H ILE A 49 -3.810 -0.692 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.596 0.864 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.523 1.841 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.503 1.807 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.438 0.400 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.316 3.981 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.131 3.556 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.373 3.332 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.883 1.768 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.643 1.742 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.693 3.171 -5.037 1.00 0.00 H new ATOM 716 N ARG A 50 -3.212 1.455 0.710 1.00 0.00 N ATOM 717 CA ARG A 50 -4.119 1.872 1.773 1.00 0.00 C ATOM 718 C ARG A 50 -3.784 3.282 2.251 1.00 0.00 C ATOM 719 O ARG A 50 -2.820 3.892 1.790 1.00 0.00 O ATOM 720 CB ARG A 50 -4.046 0.893 2.946 1.00 0.00 C ATOM 721 CG ARG A 50 -2.687 0.856 3.625 1.00 0.00 C ATOM 722 CD ARG A 50 -2.568 -0.331 4.568 1.00 0.00 C ATOM 723 NE ARG A 50 -1.581 -0.099 5.620 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.987 -1.073 6.299 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.278 -2.340 6.038 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.100 -0.781 7.241 1.00 0.00 N ATOM 0 H ARG A 50 -2.253 1.289 1.015 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.133 1.874 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.803 1.164 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.292 -0.107 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.903 0.802 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.531 1.781 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.539 -0.533 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.290 -1.219 4.000 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.335 0.865 5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.960 -2.568 5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.820 -3.087 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.126 0.193 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.356 -1.530 7.762 1.00 0.00 H new ATOM 740 N ASN A 51 -4.588 3.793 3.177 1.00 0.00 N ATOM 741 CA ASN A 51 -4.379 5.131 3.717 1.00 0.00 C ATOM 742 C ASN A 51 -3.429 5.094 4.911 1.00 0.00 C ATOM 743 O ASN A 51 -3.258 4.055 5.549 1.00 0.00 O ATOM 744 CB ASN A 51 -5.714 5.751 4.133 1.00 0.00 C ATOM 745 CG ASN A 51 -6.459 6.359 2.961 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.406 7.569 2.737 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.160 5.521 2.206 1.00 0.00 N ATOM 0 H ASN A 51 -5.391 3.301 3.569 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.929 5.744 2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.337 4.987 4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.536 6.520 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.683 5.873 1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.176 4.526 2.428 1.00 0.00 H new ATOM 754 N SER A 52 -2.814 6.235 5.207 1.00 0.00 N ATOM 755 CA SER A 52 -1.879 6.332 6.322 1.00 0.00 C ATOM 756 C SER A 52 -2.485 7.132 7.471 1.00 0.00 C ATOM 757 O SER A 52 -3.369 7.964 7.264 1.00 0.00 O ATOM 758 CB SER A 52 -0.573 6.984 5.864 1.00 0.00 C ATOM 759 OG SER A 52 0.282 7.240 6.965 1.00 0.00 O ATOM 0 H SER A 52 -2.946 7.105 4.690 1.00 0.00 H new ATOM 0 HA SER A 52 -1.668 5.323 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.068 6.332 5.151 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.791 7.917 5.344 1.00 0.00 H new ATOM 0 HG SER A 52 1.111 7.655 6.646 1.00 0.00 H new ATOM 765 N SER A 53 -2.004 6.874 8.683 1.00 0.00 N ATOM 766 CA SER A 53 -2.500 7.566 9.866 1.00 0.00 C ATOM 767 C SER A 53 -2.640 9.062 9.601 1.00 0.00 C ATOM 768 O SER A 53 -3.639 9.680 9.971 1.00 0.00 O ATOM 769 CB SER A 53 -1.560 7.332 11.051 1.00 0.00 C ATOM 770 OG SER A 53 -2.176 7.707 12.271 1.00 0.00 O ATOM 0 H SER A 53 -1.271 6.190 8.871 1.00 0.00 H new ATOM 0 HA SER A 53 -3.484 7.164 10.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.275 6.281 11.092 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.643 7.905 10.911 1.00 0.00 H new ATOM 0 HG SER A 53 -1.556 7.547 13.013 1.00 0.00 H new ATOM 776 N THR A 54 -1.631 9.640 8.957 1.00 0.00 N ATOM 777 CA THR A 54 -1.640 11.063 8.643 1.00 0.00 C ATOM 778 C THR A 54 -2.955 11.474 7.991 1.00 0.00 C ATOM 779 O THR A 54 -3.747 10.627 7.577 1.00 0.00 O ATOM 780 CB THR A 54 -0.476 11.439 7.705 1.00 0.00 C ATOM 781 OG1 THR A 54 -0.582 10.710 6.477 1.00 0.00 O ATOM 782 CG2 THR A 54 0.864 11.144 8.362 1.00 0.00 C ATOM 0 H THR A 54 -0.797 9.144 8.643 1.00 0.00 H new ATOM 0 HA THR A 54 -1.523 11.595 9.587 1.00 0.00 H new ATOM 0 HB THR A 54 -0.534 12.508 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.160 10.956 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.671 11.417 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.953 11.722 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.929 10.081 8.594 1.00 0.00 H new ATOM 790 N LYS A 55 -3.183 12.780 7.901 1.00 0.00 N ATOM 791 CA LYS A 55 -4.402 13.305 7.297 1.00 0.00 C ATOM 792 C LYS A 55 -4.508 12.888 5.834 1.00 0.00 C ATOM 793 O LYS A 55 -5.462 12.219 5.437 1.00 0.00 O ATOM 794 CB LYS A 55 -4.433 14.831 7.407 1.00 0.00 C ATOM 795 CG LYS A 55 -4.552 15.336 8.835 1.00 0.00 C ATOM 796 CD LYS A 55 -5.948 15.112 9.392 1.00 0.00 C ATOM 797 CE LYS A 55 -6.936 16.132 8.848 1.00 0.00 C ATOM 798 NZ LYS A 55 -8.342 15.775 9.181 1.00 0.00 N ATOM 0 H LYS A 55 -2.539 13.495 8.239 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.253 12.890 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.525 15.237 6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.272 15.212 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.822 14.826 9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.313 16.399 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.285 14.107 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.921 15.174 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.705 17.116 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.826 16.203 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.984 16.495 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.572 14.848 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.454 15.732 10.214 1.00 0.00 H new ATOM 812 N SER A 56 -3.521 13.286 5.037 1.00 0.00 N ATOM 813 CA SER A 56 -3.505 12.955 3.617 1.00 0.00 C ATOM 814 C SER A 56 -2.212 12.238 3.241 1.00 0.00 C ATOM 815 O SER A 56 -1.153 12.856 3.141 1.00 0.00 O ATOM 816 CB SER A 56 -3.663 14.222 2.774 1.00 0.00 C ATOM 817 OG SER A 56 -4.034 13.907 1.444 1.00 0.00 O ATOM 0 H SER A 56 -2.723 13.838 5.351 1.00 0.00 H new ATOM 0 HA SER A 56 -4.342 12.287 3.416 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.418 14.869 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.726 14.780 2.771 1.00 0.00 H new ATOM 0 HG SER A 56 -4.130 14.734 0.927 1.00 0.00 H new ATOM 823 N GLY A 57 -2.307 10.928 3.034 1.00 0.00 N ATOM 824 CA GLY A 57 -1.139 10.148 2.671 1.00 0.00 C ATOM 825 C GLY A 57 -1.483 8.710 2.336 1.00 0.00 C ATOM 826 O GLY A 57 -2.541 8.211 2.721 1.00 0.00 O ATOM 0 H GLY A 57 -3.172 10.393 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.649 10.610 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.424 10.165 3.494 1.00 0.00 H new ATOM 830 N LYS A 58 -0.589 8.042 1.615 1.00 0.00 N ATOM 831 CA LYS A 58 -0.803 6.653 1.227 1.00 0.00 C ATOM 832 C LYS A 58 0.414 5.799 1.569 1.00 0.00 C ATOM 833 O LYS A 58 1.521 6.313 1.727 1.00 0.00 O ATOM 834 CB LYS A 58 -1.098 6.560 -0.272 1.00 0.00 C ATOM 835 CG LYS A 58 -2.445 7.143 -0.663 1.00 0.00 C ATOM 836 CD LYS A 58 -3.589 6.238 -0.237 1.00 0.00 C ATOM 837 CE LYS A 58 -4.777 6.361 -1.179 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.496 7.653 -1.000 1.00 0.00 N ATOM 0 H LYS A 58 0.291 8.440 1.287 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.660 6.274 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.313 7.080 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.062 5.514 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.565 8.124 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.479 7.291 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.247 5.203 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.899 6.494 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.433 6.277 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.466 5.535 -1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.299 7.698 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.846 7.723 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.846 8.442 -1.192 1.00 0.00 H new ATOM 852 N VAL A 59 0.201 4.492 1.681 1.00 0.00 N ATOM 853 CA VAL A 59 1.281 3.566 2.003 1.00 0.00 C ATOM 854 C VAL A 59 1.156 2.276 1.200 1.00 0.00 C ATOM 855 O VAL A 59 0.188 1.529 1.351 1.00 0.00 O ATOM 856 CB VAL A 59 1.299 3.224 3.504 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.376 2.192 3.804 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.508 4.481 4.334 1.00 0.00 C ATOM 0 H VAL A 59 -0.709 4.050 1.554 1.00 0.00 H new ATOM 0 HA VAL A 59 2.214 4.065 1.741 1.00 0.00 H new ATOM 0 HB VAL A 59 0.334 2.795 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.374 1.963 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.177 1.283 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.350 2.590 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.518 4.221 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.459 4.941 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.697 5.184 4.141 1.00 0.00 H new ATOM 868 N LEU A 60 2.141 2.019 0.347 1.00 0.00 N ATOM 869 CA LEU A 60 2.143 0.817 -0.480 1.00 0.00 C ATOM 870 C LEU A 60 2.380 -0.428 0.368 1.00 0.00 C ATOM 871 O LEU A 60 3.426 -0.570 1.002 1.00 0.00 O ATOM 872 CB LEU A 60 3.217 0.922 -1.564 1.00 0.00 C ATOM 873 CG LEU A 60 3.662 -0.397 -2.198 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.547 -0.982 -3.051 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.920 -0.191 -3.029 1.00 0.00 C ATOM 0 H LEU A 60 2.949 2.627 0.210 1.00 0.00 H new ATOM 0 HA LEU A 60 1.165 0.730 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.845 1.574 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.092 1.409 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 60 3.889 -1.104 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.882 -1.920 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.671 -1.167 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.288 -0.279 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.222 -1.140 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.719 0.532 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.721 0.183 -2.391 1.00 0.00 H new ATOM 887 N VAL A 61 1.403 -1.329 0.373 1.00 0.00 N ATOM 888 CA VAL A 61 1.507 -2.565 1.141 1.00 0.00 C ATOM 889 C VAL A 61 1.599 -3.777 0.221 1.00 0.00 C ATOM 890 O VAL A 61 0.739 -3.988 -0.634 1.00 0.00 O ATOM 891 CB VAL A 61 0.303 -2.741 2.085 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.321 -4.123 2.721 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.298 -1.655 3.150 1.00 0.00 C ATOM 0 H VAL A 61 0.531 -1.227 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 61 2.418 -2.494 1.735 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.612 -2.648 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.537 -4.229 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.273 -4.883 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.240 -4.248 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.560 -1.795 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.217 -1.713 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.233 -0.677 2.672 1.00 0.00 H new ATOM 903 N VAL A 62 2.649 -4.572 0.403 1.00 0.00 N ATOM 904 CA VAL A 62 2.853 -5.766 -0.409 1.00 0.00 C ATOM 905 C VAL A 62 2.784 -7.029 0.442 1.00 0.00 C ATOM 906 O VAL A 62 3.083 -7.002 1.636 1.00 0.00 O ATOM 907 CB VAL A 62 4.211 -5.724 -1.136 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.267 -6.785 -2.224 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.461 -4.340 -1.717 1.00 0.00 C ATOM 0 H VAL A 62 3.371 -4.411 1.105 1.00 0.00 H new ATOM 0 HA VAL A 62 2.053 -5.786 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 62 4.998 -5.938 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.233 -6.740 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.135 -7.771 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.473 -6.605 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.424 -4.328 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.671 -4.096 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.467 -3.604 -0.913 1.00 0.00 H new ATOM 919 N TRP A 63 2.388 -8.133 -0.180 1.00 0.00 N ATOM 920 CA TRP A 63 2.280 -9.408 0.521 1.00 0.00 C ATOM 921 C TRP A 63 3.554 -10.229 0.358 1.00 0.00 C ATOM 922 O TRP A 63 4.137 -10.279 -0.725 1.00 0.00 O ATOM 923 CB TRP A 63 1.079 -10.199 0.000 1.00 0.00 C ATOM 924 CG TRP A 63 1.014 -11.599 0.532 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.287 -12.749 -0.151 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.650 -11.995 1.859 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.116 -13.836 0.671 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.726 -13.401 1.909 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.270 -11.300 3.010 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.434 -14.121 3.065 1.00 0.00 C ATOM 931 CZ3 TRP A 63 -0.019 -12.016 4.156 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.065 -13.414 4.177 1.00 0.00 C ATOM 0 H TRP A 63 2.136 -8.172 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 63 2.138 -9.200 1.581 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.163 -9.673 0.268 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.120 -10.233 -1.089 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.593 -12.797 -1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.257 -14.810 0.402 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.203 -10.222 3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.497 -15.199 3.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.315 -11.489 5.051 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -0.166 -13.944 5.089 1.00 0.00 H new ATOM 943 N ASP A 64 3.981 -10.871 1.439 1.00 0.00 N ATOM 944 CA ASP A 64 5.187 -11.691 1.415 1.00 0.00 C ATOM 945 C ASP A 64 4.842 -13.168 1.576 1.00 0.00 C ATOM 946 O ASP A 64 4.517 -13.623 2.672 1.00 0.00 O ATOM 947 CB ASP A 64 6.148 -11.255 2.522 1.00 0.00 C ATOM 948 CG ASP A 64 7.515 -11.897 2.388 1.00 0.00 C ATOM 949 OD1 ASP A 64 7.676 -12.774 1.513 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.425 -11.521 3.156 1.00 0.00 O ATOM 0 H ASP A 64 3.510 -10.840 2.343 1.00 0.00 H new ATOM 0 HA ASP A 64 5.672 -11.553 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.255 -10.171 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.722 -11.513 3.492 1.00 0.00 H new ATOM 955 N GLU A 65 4.916 -13.911 0.476 1.00 0.00 N ATOM 956 CA GLU A 65 4.609 -15.337 0.496 1.00 0.00 C ATOM 957 C GLU A 65 5.705 -16.119 1.214 1.00 0.00 C ATOM 958 O GLU A 65 5.433 -17.099 1.908 1.00 0.00 O ATOM 959 CB GLU A 65 4.441 -15.865 -0.930 1.00 0.00 C ATOM 960 CG GLU A 65 4.338 -17.379 -1.010 1.00 0.00 C ATOM 961 CD GLU A 65 5.692 -18.060 -0.948 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.402 -18.066 -1.975 1.00 0.00 O ATOM 963 OE2 GLU A 65 6.040 -18.587 0.129 1.00 0.00 O ATOM 0 H GLU A 65 5.185 -13.550 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 65 3.674 -15.474 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.545 -15.425 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.287 -15.534 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.716 -17.741 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.838 -17.657 -1.938 1.00 0.00 H new ATOM 970 N THR A 66 6.948 -15.678 1.043 1.00 0.00 N ATOM 971 CA THR A 66 8.086 -16.337 1.672 1.00 0.00 C ATOM 972 C THR A 66 8.036 -16.191 3.188 1.00 0.00 C ATOM 973 O THR A 66 8.434 -17.096 3.922 1.00 0.00 O ATOM 974 CB THR A 66 9.421 -15.766 1.156 1.00 0.00 C ATOM 975 OG1 THR A 66 9.520 -14.376 1.487 1.00 0.00 O ATOM 976 CG2 THR A 66 9.539 -15.943 -0.350 1.00 0.00 C ATOM 0 H THR A 66 7.192 -14.867 0.474 1.00 0.00 H new ATOM 0 HA THR A 66 8.025 -17.393 1.409 1.00 0.00 H new ATOM 0 HB THR A 66 10.234 -16.312 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.780 -13.887 1.071 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.489 -15.532 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.493 -17.004 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.720 -15.420 -0.843 1.00 0.00 H new ATOM 984 N SER A 67 7.544 -15.047 3.652 1.00 0.00 N ATOM 985 CA SER A 67 7.445 -14.781 5.083 1.00 0.00 C ATOM 986 C SER A 67 6.011 -14.964 5.571 1.00 0.00 C ATOM 987 O SER A 67 5.764 -15.092 6.769 1.00 0.00 O ATOM 988 CB SER A 67 7.925 -13.363 5.394 1.00 0.00 C ATOM 989 OG SER A 67 9.325 -13.245 5.205 1.00 0.00 O ATOM 0 H SER A 67 7.208 -14.289 3.058 1.00 0.00 H new ATOM 0 HA SER A 67 8.082 -15.495 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.407 -12.651 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.671 -13.107 6.423 1.00 0.00 H new ATOM 0 HG SER A 67 9.505 -12.622 4.470 1.00 0.00 H new ATOM 995 N ASN A 68 5.070 -14.974 4.633 1.00 0.00 N ATOM 996 CA ASN A 68 3.660 -15.140 4.966 1.00 0.00 C ATOM 997 C ASN A 68 3.162 -13.976 5.818 1.00 0.00 C ATOM 998 O ASN A 68 2.452 -14.174 6.805 1.00 0.00 O ATOM 999 CB ASN A 68 3.442 -16.460 5.709 1.00 0.00 C ATOM 1000 CG ASN A 68 1.995 -16.914 5.669 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.329 -16.993 6.701 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.503 -17.215 4.473 1.00 0.00 N ATOM 0 H ASN A 68 5.258 -14.869 3.636 1.00 0.00 H new ATOM 0 HA ASN A 68 3.092 -15.156 4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.074 -17.231 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.756 -16.346 6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.536 -17.527 4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.092 -17.135 3.644 1.00 0.00 H new ATOM 1009 N LYS A 69 3.537 -12.763 5.429 1.00 0.00 N ATOM 1010 CA LYS A 69 3.128 -11.566 6.154 1.00 0.00 C ATOM 1011 C LYS A 69 2.968 -10.382 5.205 1.00 0.00 C ATOM 1012 O LYS A 69 3.089 -10.529 3.989 1.00 0.00 O ATOM 1013 CB LYS A 69 4.152 -11.227 7.240 1.00 0.00 C ATOM 1014 CG LYS A 69 5.581 -11.162 6.730 1.00 0.00 C ATOM 1015 CD LYS A 69 6.518 -10.572 7.769 1.00 0.00 C ATOM 1016 CE LYS A 69 6.601 -11.450 9.008 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.888 -11.266 9.734 1.00 0.00 N ATOM 0 H LYS A 69 4.124 -12.582 4.615 1.00 0.00 H new ATOM 0 HA LYS A 69 2.164 -11.767 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.891 -10.268 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.091 -11.975 8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.918 -12.163 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.617 -10.559 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.512 -10.454 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.172 -9.577 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.771 -11.216 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.493 -12.496 8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.905 -11.882 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.679 -11.514 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.980 -10.274 10.032 1.00 0.00 H new ATOM 1031 N VAL A 70 2.697 -9.209 5.769 1.00 0.00 N ATOM 1032 CA VAL A 70 2.524 -8.000 4.973 1.00 0.00 C ATOM 1033 C VAL A 70 3.627 -6.989 5.261 1.00 0.00 C ATOM 1034 O VAL A 70 4.115 -6.892 6.387 1.00 0.00 O ATOM 1035 CB VAL A 70 1.157 -7.343 5.242 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.029 -8.329 4.980 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.093 -6.812 6.666 1.00 0.00 C ATOM 0 H VAL A 70 2.593 -9.071 6.774 1.00 0.00 H new ATOM 0 HA VAL A 70 2.576 -8.300 3.926 1.00 0.00 H new ATOM 0 HB VAL A 70 1.037 -6.502 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.929 -7.847 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.065 -8.656 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.141 -9.192 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.121 -6.351 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.235 -7.634 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.878 -6.070 6.813 1.00 0.00 H new ATOM 1047 N ARG A 71 4.017 -6.238 4.236 1.00 0.00 N ATOM 1048 CA ARG A 71 5.064 -5.234 4.380 1.00 0.00 C ATOM 1049 C ARG A 71 4.468 -3.831 4.437 1.00 0.00 C ATOM 1050 O ARG A 71 3.249 -3.663 4.438 1.00 0.00 O ATOM 1051 CB ARG A 71 6.056 -5.332 3.219 1.00 0.00 C ATOM 1052 CG ARG A 71 6.723 -6.692 3.100 1.00 0.00 C ATOM 1053 CD ARG A 71 7.564 -7.009 4.327 1.00 0.00 C ATOM 1054 NE ARG A 71 8.549 -8.054 4.061 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.536 -8.363 4.895 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.668 -7.711 6.042 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.393 -9.326 4.582 1.00 0.00 N ATOM 0 H ARG A 71 3.624 -6.306 3.297 1.00 0.00 H new ATOM 0 HA ARG A 71 5.590 -5.424 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.535 -5.110 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.825 -4.570 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.962 -7.462 2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.353 -6.713 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.075 -6.105 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.912 -7.324 5.142 1.00 0.00 H new ATOM 0 HE ARG A 71 8.475 -8.575 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.011 -6.970 6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.427 -7.950 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.294 -9.830 3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.151 -9.563 5.223 1.00 0.00 H new ATOM 1071 N ASN A 72 5.336 -2.826 4.484 1.00 0.00 N ATOM 1072 CA ASN A 72 4.896 -1.437 4.543 1.00 0.00 C ATOM 1073 C ASN A 72 5.843 -0.532 3.761 1.00 0.00 C ATOM 1074 O ASN A 72 7.054 -0.539 3.989 1.00 0.00 O ATOM 1075 CB ASN A 72 4.808 -0.968 5.997 1.00 0.00 C ATOM 1076 CG ASN A 72 3.963 -1.893 6.852 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.775 -2.084 6.592 1.00 0.00 O ATOM 1078 ND2 ASN A 72 4.575 -2.472 7.878 1.00 0.00 N ATOM 0 H ASN A 72 6.349 -2.948 4.482 1.00 0.00 H new ATOM 0 HA ASN A 72 3.907 -1.377 4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.812 -0.905 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.386 0.037 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.058 -3.105 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.562 -2.284 8.055 1.00 0.00 H new ATOM 1085 N TYR A 73 5.285 0.246 2.840 1.00 0.00 N ATOM 1086 CA TYR A 73 6.081 1.155 2.024 1.00 0.00 C ATOM 1087 C TYR A 73 5.439 2.538 1.967 1.00 0.00 C ATOM 1088 O TYR A 73 4.572 2.799 1.132 1.00 0.00 O ATOM 1089 CB TYR A 73 6.241 0.596 0.609 1.00 0.00 C ATOM 1090 CG TYR A 73 7.027 -0.694 0.554 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.412 -0.683 0.446 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.385 -1.925 0.610 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.134 -1.859 0.394 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.099 -3.106 0.560 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.473 -3.068 0.452 1.00 0.00 C ATOM 1096 OH TYR A 73 9.189 -4.243 0.402 1.00 0.00 O ATOM 0 H TYR A 73 4.285 0.265 2.640 1.00 0.00 H new ATOM 0 HA TYR A 73 7.065 1.249 2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.253 0.429 0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.737 1.341 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.933 0.262 0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.309 -1.959 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.210 -1.832 0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.584 -4.054 0.605 1.00 0.00 H new ATOM 0 HH TYR A 73 10.147 -4.046 0.470 1.00 0.00 H new ATOM 1106 N ARG A 74 5.872 3.422 2.860 1.00 0.00 N ATOM 1107 CA ARG A 74 5.341 4.778 2.913 1.00 0.00 C ATOM 1108 C ARG A 74 5.503 5.478 1.567 1.00 0.00 C ATOM 1109 O ARG A 74 6.582 5.461 0.973 1.00 0.00 O ATOM 1110 CB ARG A 74 6.046 5.583 4.006 1.00 0.00 C ATOM 1111 CG ARG A 74 5.367 5.493 5.363 1.00 0.00 C ATOM 1112 CD ARG A 74 5.629 6.734 6.201 1.00 0.00 C ATOM 1113 NE ARG A 74 5.475 6.473 7.629 1.00 0.00 N ATOM 1114 CZ ARG A 74 5.768 7.360 8.574 1.00 0.00 C ATOM 1115 NH1 ARG A 74 6.228 8.559 8.244 1.00 0.00 N ATOM 1116 NH2 ARG A 74 5.601 7.048 9.853 1.00 0.00 N ATOM 0 H ARG A 74 6.590 3.223 3.557 1.00 0.00 H new ATOM 0 HA ARG A 74 4.278 4.716 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.073 5.231 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.094 6.629 3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.293 5.365 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.727 4.612 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.638 7.097 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.942 7.525 5.901 1.00 0.00 H new ATOM 0 HE ARG A 74 5.123 5.560 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.358 8.803 7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.452 9.237 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.248 6.127 10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.826 7.729 10.578 1.00 0.00 H new ATOM 1130 N ILE A 75 4.425 6.092 1.091 1.00 0.00 N ATOM 1131 CA ILE A 75 4.448 6.798 -0.184 1.00 0.00 C ATOM 1132 C ILE A 75 4.473 8.308 0.024 1.00 0.00 C ATOM 1133 O ILE A 75 3.471 8.909 0.410 1.00 0.00 O ATOM 1134 CB ILE A 75 3.230 6.431 -1.053 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.176 4.919 -1.282 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.284 7.172 -2.380 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.848 4.436 -1.820 1.00 0.00 C ATOM 0 H ILE A 75 3.524 6.115 1.569 1.00 0.00 H new ATOM 0 HA ILE A 75 5.358 6.489 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 75 2.324 6.732 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.965 4.637 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.384 4.410 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.417 6.902 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.279 8.247 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.195 6.899 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.883 3.355 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.056 4.687 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.646 4.917 -2.777 1.00 0.00 H new ATOM 1149 N PHE A 76 5.626 8.916 -0.236 1.00 0.00 N ATOM 1150 CA PHE A 76 5.782 10.358 -0.079 1.00 0.00 C ATOM 1151 C PHE A 76 5.462 11.085 -1.381 1.00 0.00 C ATOM 1152 O PHE A 76 5.209 10.457 -2.408 1.00 0.00 O ATOM 1153 CB PHE A 76 7.207 10.691 0.368 1.00 0.00 C ATOM 1154 CG PHE A 76 7.623 9.981 1.625 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.144 10.391 2.859 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.493 8.904 1.573 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.524 9.740 4.017 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.876 8.249 2.728 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.392 8.668 3.951 1.00 0.00 C ATOM 0 H PHE A 76 6.466 8.433 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 76 5.081 10.694 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.900 10.432 -0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.288 11.767 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.466 11.229 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.876 8.573 0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.143 10.069 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.554 7.410 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.692 8.158 4.855 1.00 0.00 H new ATOM 1169 N GLU A 77 5.476 12.413 -1.329 1.00 0.00 N ATOM 1170 CA GLU A 77 5.186 13.226 -2.504 1.00 0.00 C ATOM 1171 C GLU A 77 6.225 14.332 -2.671 1.00 0.00 C ATOM 1172 O GLU A 77 6.285 15.269 -1.874 1.00 0.00 O ATOM 1173 CB GLU A 77 3.788 13.837 -2.397 1.00 0.00 C ATOM 1174 CG GLU A 77 3.276 14.420 -3.703 1.00 0.00 C ATOM 1175 CD GLU A 77 1.897 15.035 -3.567 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.752 16.001 -2.789 1.00 0.00 O ATOM 1177 OE2 GLU A 77 0.962 14.551 -4.239 1.00 0.00 O ATOM 0 H GLU A 77 5.685 12.948 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 77 5.226 12.579 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.092 13.072 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.800 14.621 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.975 15.178 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.247 13.636 -4.460 1.00 0.00 H new ATOM 1184 N LYS A 78 7.042 14.216 -3.712 1.00 0.00 N ATOM 1185 CA LYS A 78 8.078 15.205 -3.985 1.00 0.00 C ATOM 1186 C LYS A 78 8.227 15.437 -5.486 1.00 0.00 C ATOM 1187 O LYS A 78 8.160 14.497 -6.278 1.00 0.00 O ATOM 1188 CB LYS A 78 9.415 14.750 -3.394 1.00 0.00 C ATOM 1189 CG LYS A 78 10.623 15.366 -4.077 1.00 0.00 C ATOM 1190 CD LYS A 78 11.922 14.788 -3.541 1.00 0.00 C ATOM 1191 CE LYS A 78 12.366 15.498 -2.272 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.834 15.374 -2.052 1.00 0.00 N ATOM 0 H LYS A 78 7.007 13.447 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 78 7.781 16.144 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.439 15.003 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.483 13.664 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.562 15.192 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.615 16.446 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.792 13.725 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.700 14.875 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.095 16.552 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.834 15.081 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.097 15.871 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.089 14.369 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.342 15.795 -2.856 1.00 0.00 H new ATOM 1206 N ASP A 79 8.430 16.692 -5.868 1.00 0.00 N ATOM 1207 CA ASP A 79 8.591 17.047 -7.274 1.00 0.00 C ATOM 1208 C ASP A 79 7.450 16.479 -8.112 1.00 0.00 C ATOM 1209 O ASP A 79 7.613 16.212 -9.302 1.00 0.00 O ATOM 1210 CB ASP A 79 9.932 16.534 -7.801 1.00 0.00 C ATOM 1211 CG ASP A 79 11.112 17.250 -7.174 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.967 17.754 -6.042 1.00 0.00 O ATOM 1213 OD2 ASP A 79 12.182 17.306 -7.817 1.00 0.00 O ATOM 0 H ASP A 79 8.487 17.481 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 79 8.570 18.134 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.012 15.465 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.967 16.661 -8.883 1.00 0.00 H new ATOM 1218 N SER A 80 6.294 16.295 -7.481 1.00 0.00 N ATOM 1219 CA SER A 80 5.127 15.753 -8.167 1.00 0.00 C ATOM 1220 C SER A 80 5.353 14.296 -8.557 1.00 0.00 C ATOM 1221 O SER A 80 4.857 13.831 -9.583 1.00 0.00 O ATOM 1222 CB SER A 80 4.810 16.583 -9.413 1.00 0.00 C ATOM 1223 OG SER A 80 3.455 16.430 -9.797 1.00 0.00 O ATOM 0 H SER A 80 6.141 16.513 -6.496 1.00 0.00 H new ATOM 0 HA SER A 80 4.280 15.800 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.019 17.635 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.460 16.277 -10.233 1.00 0.00 H new ATOM 0 HG SER A 80 3.255 15.478 -9.917 1.00 0.00 H new ATOM 1229 N LYS A 81 6.108 13.579 -7.731 1.00 0.00 N ATOM 1230 CA LYS A 81 6.401 12.174 -7.986 1.00 0.00 C ATOM 1231 C LYS A 81 6.461 11.385 -6.682 1.00 0.00 C ATOM 1232 O LYS A 81 7.213 11.731 -5.770 1.00 0.00 O ATOM 1233 CB LYS A 81 7.727 12.037 -8.739 1.00 0.00 C ATOM 1234 CG LYS A 81 7.859 12.989 -9.915 1.00 0.00 C ATOM 1235 CD LYS A 81 8.707 12.389 -11.025 1.00 0.00 C ATOM 1236 CE LYS A 81 9.047 13.423 -12.087 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.456 12.786 -13.370 1.00 0.00 N ATOM 0 H LYS A 81 6.528 13.949 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 81 5.598 11.767 -8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.549 12.213 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.827 11.013 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.869 13.230 -10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.307 13.924 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.626 11.983 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.172 11.557 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.183 14.065 -12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.852 14.063 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.680 13.524 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.296 12.194 -13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.678 12.195 -13.728 1.00 0.00 H new ATOM 1251 N PHE A 82 5.666 10.324 -6.601 1.00 0.00 N ATOM 1252 CA PHE A 82 5.629 9.485 -5.409 1.00 0.00 C ATOM 1253 C PHE A 82 6.962 8.771 -5.205 1.00 0.00 C ATOM 1254 O PHE A 82 7.486 8.138 -6.122 1.00 0.00 O ATOM 1255 CB PHE A 82 4.498 8.460 -5.515 1.00 0.00 C ATOM 1256 CG PHE A 82 3.162 9.071 -5.828 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.578 9.976 -4.956 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.491 8.741 -6.994 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.349 10.538 -5.242 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.262 9.301 -7.285 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.690 10.202 -6.408 1.00 0.00 C ATOM 0 H PHE A 82 5.038 10.024 -7.347 1.00 0.00 H new ATOM 0 HA PHE A 82 5.446 10.128 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.747 7.735 -6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.427 7.911 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.089 10.245 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.934 8.038 -7.684 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.903 11.241 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.749 9.035 -8.197 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.270 10.642 -6.634 1.00 0.00 H new ATOM 1271 N TYR A 83 7.504 8.876 -3.997 1.00 0.00 N ATOM 1272 CA TYR A 83 8.777 8.243 -3.673 1.00 0.00 C ATOM 1273 C TYR A 83 8.706 7.537 -2.322 1.00 0.00 C ATOM 1274 O TYR A 83 7.843 7.837 -1.496 1.00 0.00 O ATOM 1275 CB TYR A 83 9.899 9.283 -3.659 1.00 0.00 C ATOM 1276 CG TYR A 83 9.815 10.249 -2.499 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.387 9.941 -1.270 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.162 11.468 -2.630 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.312 10.820 -0.207 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.084 12.354 -1.573 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.660 12.026 -0.364 1.00 0.00 C ATOM 1282 OH TYR A 83 9.583 12.905 0.692 1.00 0.00 O ATOM 0 H TYR A 83 7.082 9.393 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 83 8.990 7.499 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.859 8.769 -3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.873 9.846 -4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.899 8.998 -1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.707 11.728 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 83 10.761 10.565 0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.574 13.299 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 83 9.092 13.707 0.415 1.00 0.00 H new ATOM 1292 N LEU A 84 9.619 6.597 -2.105 1.00 0.00 N ATOM 1293 CA LEU A 84 9.662 5.847 -0.854 1.00 0.00 C ATOM 1294 C LEU A 84 10.873 6.250 -0.019 1.00 0.00 C ATOM 1295 O LEU A 84 10.793 6.335 1.206 1.00 0.00 O ATOM 1296 CB LEU A 84 9.702 4.345 -1.139 1.00 0.00 C ATOM 1297 CG LEU A 84 8.687 3.828 -2.159 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.781 2.315 -2.286 1.00 0.00 C ATOM 1299 CD2 LEU A 84 7.277 4.246 -1.768 1.00 0.00 C ATOM 0 H LEU A 84 10.339 6.336 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 84 8.760 6.080 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.702 4.088 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.547 3.813 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 84 8.919 4.268 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.051 1.965 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.783 2.039 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.576 1.855 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.568 3.869 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.034 3.835 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.217 5.334 -1.730 1.00 0.00 H new ATOM 1311 N GLU A 85 11.993 6.500 -0.691 1.00 0.00 N ATOM 1312 CA GLU A 85 13.220 6.896 -0.010 1.00 0.00 C ATOM 1313 C GLU A 85 13.555 8.357 -0.298 1.00 0.00 C ATOM 1314 O GLU A 85 14.151 9.043 0.532 1.00 0.00 O ATOM 1315 CB GLU A 85 14.382 6.000 -0.444 1.00 0.00 C ATOM 1316 CG GLU A 85 14.344 5.623 -1.915 1.00 0.00 C ATOM 1317 CD GLU A 85 14.170 6.826 -2.821 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.126 7.620 -2.941 1.00 0.00 O ATOM 1319 OE2 GLU A 85 13.078 6.973 -3.410 1.00 0.00 O ATOM 0 H GLU A 85 12.076 6.435 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 85 13.063 6.782 1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.322 6.510 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.372 5.090 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.267 5.106 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.526 4.923 -2.086 1.00 0.00 H new ATOM 1326 N GLY A 86 13.167 8.825 -1.480 1.00 0.00 N ATOM 1327 CA GLY A 86 13.435 10.200 -1.857 1.00 0.00 C ATOM 1328 C GLY A 86 13.915 10.326 -3.289 1.00 0.00 C ATOM 1329 O GLY A 86 13.149 10.697 -4.177 1.00 0.00 O ATOM 0 H GLY A 86 12.672 8.276 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.529 10.792 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.187 10.617 -1.187 1.00 0.00 H new ATOM 1333 N GLU A 87 15.189 10.017 -3.514 1.00 0.00 N ATOM 1334 CA GLU A 87 15.770 10.100 -4.849 1.00 0.00 C ATOM 1335 C GLU A 87 14.889 9.388 -5.871 1.00 0.00 C ATOM 1336 O GLU A 87 14.622 9.915 -6.951 1.00 0.00 O ATOM 1337 CB GLU A 87 17.174 9.492 -4.856 1.00 0.00 C ATOM 1338 CG GLU A 87 17.192 8.007 -5.181 1.00 0.00 C ATOM 1339 CD GLU A 87 18.590 7.487 -5.455 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.376 7.365 -4.492 1.00 0.00 O ATOM 1341 OE2 GLU A 87 18.898 7.202 -6.631 1.00 0.00 O ATOM 0 H GLU A 87 15.837 9.707 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 87 15.837 11.153 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.787 10.022 -5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.633 9.647 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.758 7.452 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.562 7.822 -6.051 1.00 0.00 H new ATOM 1348 N VAL A 88 14.442 8.186 -5.522 1.00 0.00 N ATOM 1349 CA VAL A 88 13.591 7.401 -6.408 1.00 0.00 C ATOM 1350 C VAL A 88 12.124 7.785 -6.245 1.00 0.00 C ATOM 1351 O VAL A 88 11.500 7.477 -5.229 1.00 0.00 O ATOM 1352 CB VAL A 88 13.747 5.891 -6.143 1.00 0.00 C ATOM 1353 CG1 VAL A 88 12.844 5.090 -7.069 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.199 5.470 -6.306 1.00 0.00 C ATOM 0 H VAL A 88 14.655 7.735 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 88 13.909 7.619 -7.427 1.00 0.00 H new ATOM 0 HB VAL A 88 13.446 5.687 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.968 4.026 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.805 5.373 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.111 5.296 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.291 4.401 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.529 5.687 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.819 6.020 -5.598 1.00 0.00 H new ATOM 1364 N LEU A 89 11.580 8.459 -7.252 1.00 0.00 N ATOM 1365 CA LEU A 89 10.185 8.886 -7.222 1.00 0.00 C ATOM 1366 C LEU A 89 9.441 8.405 -8.463 1.00 0.00 C ATOM 1367 O LEU A 89 9.987 7.658 -9.276 1.00 0.00 O ATOM 1368 CB LEU A 89 10.100 10.410 -7.121 1.00 0.00 C ATOM 1369 CG LEU A 89 11.165 11.086 -6.256 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.342 11.531 -7.109 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.570 12.269 -5.506 1.00 0.00 C ATOM 0 H LEU A 89 12.083 8.722 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 89 9.714 8.443 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.161 10.825 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.119 10.674 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 89 11.526 10.362 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.089 12.010 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.784 10.664 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.998 12.239 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.342 12.738 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.181 12.995 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.760 11.923 -4.864 1.00 0.00 H new ATOM 1383 N PHE A 90 8.194 8.839 -8.604 1.00 0.00 N ATOM 1384 CA PHE A 90 7.375 8.454 -9.748 1.00 0.00 C ATOM 1385 C PHE A 90 6.193 9.405 -9.916 1.00 0.00 C ATOM 1386 O PHE A 90 5.295 9.453 -9.075 1.00 0.00 O ATOM 1387 CB PHE A 90 6.869 7.020 -9.579 1.00 0.00 C ATOM 1388 CG PHE A 90 7.971 6.004 -9.478 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.491 5.411 -10.618 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.486 5.641 -8.244 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.505 4.476 -10.528 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.500 4.707 -8.149 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.010 4.123 -9.292 1.00 0.00 C ATOM 0 H PHE A 90 7.728 9.458 -7.941 1.00 0.00 H new ATOM 0 HA PHE A 90 7.995 8.511 -10.643 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.251 6.964 -8.683 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.229 6.767 -10.424 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.099 5.683 -11.587 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.091 6.093 -7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.902 4.022 -11.424 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.894 4.434 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.802 3.392 -9.219 1.00 0.00 H new ATOM 1403 N VAL A 91 6.201 10.162 -11.009 1.00 0.00 N ATOM 1404 CA VAL A 91 5.131 11.112 -11.289 1.00 0.00 C ATOM 1405 C VAL A 91 3.776 10.551 -10.874 1.00 0.00 C ATOM 1406 O VAL A 91 2.885 11.294 -10.462 1.00 0.00 O ATOM 1407 CB VAL A 91 5.086 11.482 -12.783 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.349 10.412 -13.576 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.435 12.843 -12.975 1.00 0.00 C ATOM 0 H VAL A 91 6.937 10.136 -11.715 1.00 0.00 H new ATOM 0 HA VAL A 91 5.343 12.009 -10.707 1.00 0.00 H new ATOM 0 HB VAL A 91 6.108 11.538 -13.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.327 10.690 -14.630 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.863 9.457 -13.464 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.329 10.321 -13.203 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.412 13.089 -14.037 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.417 12.818 -12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.009 13.600 -12.440 1.00 0.00 H new ATOM 1419 N SER A 92 3.627 9.235 -10.985 1.00 0.00 N ATOM 1420 CA SER A 92 2.379 8.573 -10.624 1.00 0.00 C ATOM 1421 C SER A 92 2.636 7.141 -10.164 1.00 0.00 C ATOM 1422 O SER A 92 3.607 6.509 -10.578 1.00 0.00 O ATOM 1423 CB SER A 92 1.415 8.574 -11.812 1.00 0.00 C ATOM 1424 OG SER A 92 2.001 7.957 -12.945 1.00 0.00 O ATOM 0 H SER A 92 4.356 8.606 -11.322 1.00 0.00 H new ATOM 0 HA SER A 92 1.929 9.125 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.499 8.049 -11.541 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.135 9.599 -12.056 1.00 0.00 H new ATOM 0 HG SER A 92 1.364 7.969 -13.690 1.00 0.00 H new ATOM 1430 N VAL A 93 1.757 6.636 -9.304 1.00 0.00 N ATOM 1431 CA VAL A 93 1.886 5.279 -8.787 1.00 0.00 C ATOM 1432 C VAL A 93 2.139 4.284 -9.914 1.00 0.00 C ATOM 1433 O VAL A 93 2.977 3.392 -9.792 1.00 0.00 O ATOM 1434 CB VAL A 93 0.626 4.851 -8.012 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.772 3.426 -7.501 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.354 5.812 -6.866 1.00 0.00 C ATOM 0 H VAL A 93 0.948 7.147 -8.951 1.00 0.00 H new ATOM 0 HA VAL A 93 2.738 5.279 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.226 4.882 -8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.128 3.141 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.915 2.750 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.634 3.364 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.540 5.494 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.205 5.815 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.202 6.816 -7.262 1.00 0.00 H new ATOM 1446 N GLY A 94 1.407 4.443 -11.013 1.00 0.00 N ATOM 1447 CA GLY A 94 1.567 3.552 -12.147 1.00 0.00 C ATOM 1448 C GLY A 94 3.023 3.302 -12.487 1.00 0.00 C ATOM 1449 O GLY A 94 3.520 2.186 -12.337 1.00 0.00 O ATOM 0 H GLY A 94 0.706 5.173 -11.138 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.079 2.602 -11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.063 3.978 -13.014 1.00 0.00 H new ATOM 1453 N SER A 95 3.708 4.343 -12.949 1.00 0.00 N ATOM 1454 CA SER A 95 5.115 4.231 -13.317 1.00 0.00 C ATOM 1455 C SER A 95 5.884 3.418 -12.280 1.00 0.00 C ATOM 1456 O SER A 95 6.562 2.447 -12.615 1.00 0.00 O ATOM 1457 CB SER A 95 5.740 5.620 -13.460 1.00 0.00 C ATOM 1458 OG SER A 95 6.772 5.618 -14.431 1.00 0.00 O ATOM 0 H SER A 95 3.312 5.274 -13.078 1.00 0.00 H new ATOM 0 HA SER A 95 5.174 3.715 -14.275 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.972 6.340 -13.742 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.141 5.942 -12.499 1.00 0.00 H new ATOM 0 HG SER A 95 7.154 6.518 -14.504 1.00 0.00 H new ATOM 1464 N MET A 96 5.775 3.824 -11.020 1.00 0.00 N ATOM 1465 CA MET A 96 6.459 3.134 -9.932 1.00 0.00 C ATOM 1466 C MET A 96 6.266 1.625 -10.040 1.00 0.00 C ATOM 1467 O MET A 96 7.234 0.867 -10.097 1.00 0.00 O ATOM 1468 CB MET A 96 5.944 3.631 -8.580 1.00 0.00 C ATOM 1469 CG MET A 96 6.744 3.111 -7.397 1.00 0.00 C ATOM 1470 SD MET A 96 6.426 4.037 -5.883 1.00 0.00 S ATOM 1471 CE MET A 96 4.670 3.752 -5.674 1.00 0.00 C ATOM 0 H MET A 96 5.219 4.628 -10.726 1.00 0.00 H new ATOM 0 HA MET A 96 7.524 3.353 -10.009 1.00 0.00 H new ATOM 0 HB2 MET A 96 5.964 4.721 -8.571 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.903 3.331 -8.464 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.502 2.061 -7.233 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.807 3.161 -7.632 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.354 4.125 -4.700 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.121 4.274 -6.457 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.465 2.683 -5.738 1.00 0.00 H new ATOM 1481 N VAL A 97 5.008 1.194 -10.066 1.00 0.00 N ATOM 1482 CA VAL A 97 4.688 -0.225 -10.168 1.00 0.00 C ATOM 1483 C VAL A 97 5.425 -0.872 -11.335 1.00 0.00 C ATOM 1484 O VAL A 97 5.994 -1.955 -11.198 1.00 0.00 O ATOM 1485 CB VAL A 97 3.175 -0.448 -10.343 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.845 -1.932 -10.306 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.398 0.306 -9.273 1.00 0.00 C ATOM 0 H VAL A 97 4.194 1.807 -10.018 1.00 0.00 H new ATOM 0 HA VAL A 97 5.010 -0.690 -9.236 1.00 0.00 H new ATOM 0 HB VAL A 97 2.879 -0.059 -11.317 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.771 -2.069 -10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.372 -2.442 -11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.155 -2.350 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.330 0.137 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.697 -0.051 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.610 1.372 -9.353 1.00 0.00 H new ATOM 1497 N GLU A 98 5.410 -0.201 -12.482 1.00 0.00 N ATOM 1498 CA GLU A 98 6.077 -0.712 -13.674 1.00 0.00 C ATOM 1499 C GLU A 98 7.590 -0.743 -13.480 1.00 0.00 C ATOM 1500 O GLU A 98 8.279 -1.608 -14.020 1.00 0.00 O ATOM 1501 CB GLU A 98 5.725 0.147 -14.891 1.00 0.00 C ATOM 1502 CG GLU A 98 4.337 0.762 -14.820 1.00 0.00 C ATOM 1503 CD GLU A 98 3.718 0.965 -16.189 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.366 1.607 -17.043 1.00 0.00 O ATOM 1505 OE2 GLU A 98 2.587 0.483 -16.407 1.00 0.00 O ATOM 0 H GLU A 98 4.944 0.697 -12.611 1.00 0.00 H new ATOM 0 HA GLU A 98 5.729 -1.731 -13.845 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.462 0.944 -14.988 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.797 -0.465 -15.790 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.689 0.119 -14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.395 1.721 -14.306 1.00 0.00 H new ATOM 1512 N HIS A 99 8.101 0.209 -12.706 1.00 0.00 N ATOM 1513 CA HIS A 99 9.532 0.293 -12.440 1.00 0.00 C ATOM 1514 C HIS A 99 9.979 -0.833 -11.512 1.00 0.00 C ATOM 1515 O HIS A 99 10.962 -1.523 -11.785 1.00 0.00 O ATOM 1516 CB HIS A 99 9.880 1.647 -11.821 1.00 0.00 C ATOM 1517 CG HIS A 99 11.217 1.672 -11.147 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.589 1.291 -9.903 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.361 2.134 -11.763 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.937 1.526 -9.791 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.379 2.034 -10.927 1.00 0.00 N flip ATOM 0 H HIS A 99 7.545 0.933 -12.252 1.00 0.00 H new ATOM 0 HA HIS A 99 10.059 0.190 -13.389 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.861 2.409 -12.600 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.112 1.914 -11.095 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.981 0.902 -9.183 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.416 2.518 -12.771 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.538 1.328 -8.916 1.00 0.00 H new ATOM 1530 N TYR A 100 9.252 -1.013 -10.415 1.00 0.00 N ATOM 1531 CA TYR A 100 9.575 -2.053 -9.446 1.00 0.00 C ATOM 1532 C TYR A 100 9.436 -3.440 -10.068 1.00 0.00 C ATOM 1533 O TYR A 100 10.146 -4.374 -9.694 1.00 0.00 O ATOM 1534 CB TYR A 100 8.666 -1.938 -8.221 1.00 0.00 C ATOM 1535 CG TYR A 100 8.982 -0.749 -7.343 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.296 -0.384 -7.079 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.966 0.009 -6.775 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.590 0.701 -6.277 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.249 1.097 -5.972 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.563 1.439 -5.726 1.00 0.00 C ATOM 1541 OH TYR A 100 9.850 2.521 -4.926 1.00 0.00 O ATOM 0 H TYR A 100 8.435 -0.452 -10.175 1.00 0.00 H new ATOM 0 HA TYR A 100 10.611 -1.916 -9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.630 -1.869 -8.553 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.751 -2.849 -7.629 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.103 -0.959 -7.509 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.937 -0.257 -6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.618 0.970 -6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.447 1.676 -5.539 1.00 0.00 H new ATOM 0 HH TYR A 100 9.134 3.186 -5.005 1.00 0.00 H new ATOM 1551 N HIS A 101 8.517 -3.565 -11.020 1.00 0.00 N ATOM 1552 CA HIS A 101 8.285 -4.836 -11.696 1.00 0.00 C ATOM 1553 C HIS A 101 9.604 -5.541 -11.995 1.00 0.00 C ATOM 1554 O HIS A 101 9.650 -6.764 -12.135 1.00 0.00 O ATOM 1555 CB HIS A 101 7.507 -4.614 -12.993 1.00 0.00 C ATOM 1556 CG HIS A 101 6.021 -4.705 -12.823 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.158 -4.953 -13.870 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.247 -4.583 -11.720 1.00 0.00 C ATOM 1559 CE1 HIS A 101 3.917 -4.977 -13.418 1.00 0.00 C ATOM 1560 NE2 HIS A 101 3.944 -4.755 -12.116 1.00 0.00 N ATOM 0 H HIS A 101 7.921 -2.802 -11.341 1.00 0.00 H new ATOM 0 HA HIS A 101 7.697 -5.470 -11.032 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.759 -3.633 -13.395 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.826 -5.352 -13.729 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.590 -4.387 -10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.031 -5.149 -14.012 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.129 -4.717 -11.504 1.00 0.00 H new ATOM 1569 N THR A 102 10.677 -4.763 -12.093 1.00 0.00 N ATOM 1570 CA THR A 102 11.997 -5.312 -12.377 1.00 0.00 C ATOM 1571 C THR A 102 12.963 -5.046 -11.228 1.00 0.00 C ATOM 1572 O THR A 102 13.913 -5.799 -11.016 1.00 0.00 O ATOM 1573 CB THR A 102 12.584 -4.721 -13.673 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.814 -3.317 -13.511 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.646 -4.954 -14.848 1.00 0.00 C ATOM 0 H THR A 102 10.658 -3.749 -11.980 1.00 0.00 H new ATOM 0 HA THR A 102 11.872 -6.388 -12.500 1.00 0.00 H new ATOM 0 HB THR A 102 13.530 -5.222 -13.879 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.047 -2.910 -13.056 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.082 -4.528 -15.752 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.496 -6.025 -14.987 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.687 -4.477 -14.648 1.00 0.00 H new ATOM 1583 N HIS A 103 12.713 -3.970 -10.488 1.00 0.00 N ATOM 1584 CA HIS A 103 13.560 -3.606 -9.358 1.00 0.00 C ATOM 1585 C HIS A 103 12.868 -3.920 -8.036 1.00 0.00 C ATOM 1586 O HIS A 103 12.040 -3.145 -7.557 1.00 0.00 O ATOM 1587 CB HIS A 103 13.917 -2.120 -9.420 1.00 0.00 C ATOM 1588 CG HIS A 103 15.148 -1.833 -10.224 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.972 -0.755 -9.979 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.693 -2.491 -11.274 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.970 -0.761 -10.844 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.825 -1.805 -11.641 1.00 0.00 N ATOM 0 H HIS A 103 11.931 -3.336 -10.651 1.00 0.00 H new ATOM 0 HA HIS A 103 14.475 -4.195 -9.417 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.078 -1.571 -9.847 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.060 -1.746 -8.406 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.309 -3.388 -11.737 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.769 -0.036 -10.892 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.452 -2.060 -12.404 1.00 0.00 H new ATOM 1601 N VAL A 104 13.212 -5.063 -7.451 1.00 0.00 N ATOM 1602 CA VAL A 104 12.623 -5.480 -6.183 1.00 0.00 C ATOM 1603 C VAL A 104 12.553 -4.317 -5.201 1.00 0.00 C ATOM 1604 O VAL A 104 13.414 -3.436 -5.201 1.00 0.00 O ATOM 1605 CB VAL A 104 13.425 -6.630 -5.544 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.918 -6.357 -5.638 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.002 -6.834 -4.097 1.00 0.00 C ATOM 0 H VAL A 104 13.895 -5.717 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 104 11.613 -5.828 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 104 13.213 -7.547 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.468 -7.180 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.206 -6.265 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.152 -5.430 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.578 -7.650 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.183 -5.919 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.941 -7.079 -4.059 1.00 0.00 H new ATOM 1617 N LEU A 105 11.522 -4.319 -4.363 1.00 0.00 N ATOM 1618 CA LEU A 105 11.338 -3.263 -3.373 1.00 0.00 C ATOM 1619 C LEU A 105 12.358 -3.390 -2.246 1.00 0.00 C ATOM 1620 O LEU A 105 12.902 -4.464 -1.986 1.00 0.00 O ATOM 1621 CB LEU A 105 9.920 -3.314 -2.802 1.00 0.00 C ATOM 1622 CG LEU A 105 8.804 -3.615 -3.802 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.539 -4.048 -3.077 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.529 -2.401 -4.677 1.00 0.00 C ATOM 0 H LEU A 105 10.801 -5.040 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 105 11.489 -2.304 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.892 -4.071 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.706 -2.356 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 105 9.130 -4.434 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.756 -4.258 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.743 -4.946 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.210 -3.250 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.732 -2.634 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.225 -1.562 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.433 -2.136 -5.226 1.00 0.00 H new ATOM 1636 N PRO A 106 12.623 -2.270 -1.558 1.00 0.00 N ATOM 1637 CA PRO A 106 13.576 -2.231 -0.446 1.00 0.00 C ATOM 1638 C PRO A 106 13.067 -2.980 0.781 1.00 0.00 C ATOM 1639 O PRO A 106 11.864 -3.188 0.937 1.00 0.00 O ATOM 1640 CB PRO A 106 13.707 -0.736 -0.143 1.00 0.00 C ATOM 1641 CG PRO A 106 12.429 -0.139 -0.621 1.00 0.00 C ATOM 1642 CD PRO A 106 12.012 -0.954 -1.814 1.00 0.00 C ATOM 0 HA PRO A 106 14.520 -2.713 -0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.852 -0.559 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.564 -0.301 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.668 -0.171 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.565 0.908 -0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.927 -1.023 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.373 -0.517 -2.745 1.00 0.00 H new ATOM 1650 N SER A 107 13.990 -3.382 1.649 1.00 0.00 N ATOM 1651 CA SER A 107 13.634 -4.111 2.860 1.00 0.00 C ATOM 1652 C SER A 107 13.267 -5.556 2.537 1.00 0.00 C ATOM 1653 O SER A 107 12.526 -6.201 3.279 1.00 0.00 O ATOM 1654 CB SER A 107 12.467 -3.423 3.571 1.00 0.00 C ATOM 1655 OG SER A 107 11.226 -3.964 3.153 1.00 0.00 O ATOM 0 H SER A 107 14.990 -3.215 1.536 1.00 0.00 H new ATOM 0 HA SER A 107 14.501 -4.114 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.574 -3.540 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.490 -2.353 3.363 1.00 0.00 H new ATOM 0 HG SER A 107 11.183 -3.967 2.174 1.00 0.00 H new ATOM 1661 N HIS A 108 13.791 -6.058 1.423 1.00 0.00 N ATOM 1662 CA HIS A 108 13.520 -7.427 1.000 1.00 0.00 C ATOM 1663 C HIS A 108 14.618 -7.937 0.072 1.00 0.00 C ATOM 1664 O HIS A 108 15.591 -7.232 -0.198 1.00 0.00 O ATOM 1665 CB HIS A 108 12.164 -7.507 0.297 1.00 0.00 C ATOM 1666 CG HIS A 108 11.422 -8.779 0.569 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.518 -9.893 -0.238 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.570 -9.110 1.567 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.755 -10.854 0.251 1.00 0.00 C ATOM 1670 NE2 HIS A 108 10.169 -10.405 1.346 1.00 0.00 N ATOM 0 H HIS A 108 14.405 -5.537 0.797 1.00 0.00 H new ATOM 0 HA HIS A 108 13.498 -8.058 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.550 -6.663 0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.315 -7.407 -0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.263 -8.475 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.631 -11.840 -0.173 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.523 -10.934 1.932 1.00 0.00 H new ATOM 1679 N GLN A 109 14.456 -9.165 -0.411 1.00 0.00 N ATOM 1680 CA GLN A 109 15.435 -9.768 -1.306 1.00 0.00 C ATOM 1681 C GLN A 109 14.882 -9.879 -2.723 1.00 0.00 C ATOM 1682 O GLN A 109 15.462 -9.347 -3.670 1.00 0.00 O ATOM 1683 CB GLN A 109 15.841 -11.152 -0.795 1.00 0.00 C ATOM 1684 CG GLN A 109 14.668 -12.102 -0.616 1.00 0.00 C ATOM 1685 CD GLN A 109 14.981 -13.244 0.330 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.384 -14.327 -0.097 1.00 0.00 O ATOM 1687 NE2 GLN A 109 14.798 -13.009 1.624 1.00 0.00 N ATOM 0 H GLN A 109 13.656 -9.761 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 109 16.314 -9.124 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.552 -11.594 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.357 -11.041 0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.810 -11.546 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.382 -12.507 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.463 -12.097 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.993 -13.740 2.308 1.00 0.00 H new ATOM 1696 N SER A 110 13.756 -10.572 -2.861 1.00 0.00 N ATOM 1697 CA SER A 110 13.126 -10.756 -4.163 1.00 0.00 C ATOM 1698 C SER A 110 11.621 -10.522 -4.077 1.00 0.00 C ATOM 1699 O SER A 110 10.824 -11.383 -4.450 1.00 0.00 O ATOM 1700 CB SER A 110 13.405 -12.163 -4.694 1.00 0.00 C ATOM 1701 OG SER A 110 14.795 -12.440 -4.701 1.00 0.00 O ATOM 0 H SER A 110 13.261 -11.015 -2.087 1.00 0.00 H new ATOM 0 HA SER A 110 13.551 -10.025 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.888 -12.897 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.007 -12.259 -5.704 1.00 0.00 H new ATOM 0 HG SER A 110 14.946 -13.346 -5.043 1.00 0.00 H new ATOM 1707 N LEU A 111 11.239 -9.350 -3.581 1.00 0.00 N ATOM 1708 CA LEU A 111 9.830 -9.000 -3.444 1.00 0.00 C ATOM 1709 C LEU A 111 9.418 -7.977 -4.498 1.00 0.00 C ATOM 1710 O LEU A 111 9.692 -6.784 -4.361 1.00 0.00 O ATOM 1711 CB LEU A 111 9.554 -8.447 -2.045 1.00 0.00 C ATOM 1712 CG LEU A 111 8.196 -7.774 -1.844 1.00 0.00 C ATOM 1713 CD1 LEU A 111 7.070 -8.715 -2.242 1.00 0.00 C ATOM 1714 CD2 LEU A 111 8.032 -7.324 -0.399 1.00 0.00 C ATOM 0 H LEU A 111 11.886 -8.626 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 111 9.241 -9.905 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.641 -9.265 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.334 -7.726 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 111 8.150 -6.894 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.111 -8.219 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.177 -8.987 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.113 -9.614 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.060 -6.847 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.099 -8.189 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.819 -6.613 -0.148 1.00 0.00 H new ATOM 1726 N LEU A 112 8.756 -8.450 -5.548 1.00 0.00 N ATOM 1727 CA LEU A 112 8.304 -7.576 -6.624 1.00 0.00 C ATOM 1728 C LEU A 112 6.780 -7.552 -6.702 1.00 0.00 C ATOM 1729 O LEU A 112 6.103 -8.366 -6.074 1.00 0.00 O ATOM 1730 CB LEU A 112 8.887 -8.038 -7.961 1.00 0.00 C ATOM 1731 CG LEU A 112 10.411 -8.142 -8.029 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.828 -9.290 -8.935 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.014 -6.831 -8.514 1.00 0.00 C ATOM 0 H LEU A 112 8.520 -9.434 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 112 8.655 -6.566 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.465 -9.014 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.555 -7.348 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 112 10.787 -8.343 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.916 -9.348 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.427 -10.226 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.440 -9.120 -9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.099 -6.923 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.631 -6.600 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.745 -6.030 -7.826 1.00 0.00 H new ATOM 1745 N LEU A 113 6.248 -6.615 -7.479 1.00 0.00 N ATOM 1746 CA LEU A 113 4.804 -6.485 -7.641 1.00 0.00 C ATOM 1747 C LEU A 113 4.308 -7.338 -8.805 1.00 0.00 C ATOM 1748 O LEU A 113 4.438 -6.955 -9.967 1.00 0.00 O ATOM 1749 CB LEU A 113 4.426 -5.021 -7.870 1.00 0.00 C ATOM 1750 CG LEU A 113 4.968 -4.020 -6.848 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.982 -2.616 -7.432 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.140 -4.061 -5.572 1.00 0.00 C ATOM 0 H LEU A 113 6.795 -5.934 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 113 4.327 -6.838 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.777 -4.726 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.339 -4.945 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 113 5.993 -4.299 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.371 -1.918 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.618 -2.596 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.968 -2.326 -7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.539 -3.343 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.105 -3.807 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.182 -5.062 -5.143 1.00 0.00 H new ATOM 1764 N ARG A 114 3.739 -8.495 -8.483 1.00 0.00 N ATOM 1765 CA ARG A 114 3.223 -9.402 -9.502 1.00 0.00 C ATOM 1766 C ARG A 114 1.750 -9.122 -9.782 1.00 0.00 C ATOM 1767 O ARG A 114 1.371 -8.801 -10.910 1.00 0.00 O ATOM 1768 CB ARG A 114 3.402 -10.855 -9.059 1.00 0.00 C ATOM 1769 CG ARG A 114 4.854 -11.300 -9.003 1.00 0.00 C ATOM 1770 CD ARG A 114 5.071 -12.360 -7.934 1.00 0.00 C ATOM 1771 NE ARG A 114 4.233 -13.536 -8.151 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.559 -14.530 -8.970 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.700 -14.489 -9.645 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.745 -15.567 -9.115 1.00 0.00 N ATOM 0 H ARG A 114 3.624 -8.827 -7.525 1.00 0.00 H new ATOM 0 HA ARG A 114 3.787 -9.237 -10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.953 -10.984 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.858 -11.505 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.152 -11.695 -9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.492 -10.440 -8.799 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.119 -12.658 -7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.854 -11.936 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 114 3.349 -13.598 -7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.329 -13.693 -9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.949 -15.253 -10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.867 -15.602 -8.597 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.997 -16.329 -9.744 1.00 0.00 H new ATOM 1788 N HIS A 115 0.922 -9.246 -8.750 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.511 -9.006 -8.885 1.00 0.00 C ATOM 1790 C HIS A 115 -1.013 -8.078 -7.783 1.00 0.00 C ATOM 1791 O HIS A 115 -0.684 -8.237 -6.607 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.277 -10.328 -8.843 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.498 -11.489 -9.380 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.546 -11.882 -10.701 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.354 -12.344 -8.766 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.241 -12.928 -10.876 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.799 -13.229 -9.717 1.00 0.00 N ATOM 0 H HIS A 115 1.218 -9.511 -7.811 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.685 -8.525 -9.848 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.565 -10.539 -7.813 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.198 -10.223 -9.416 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.632 -12.332 -7.722 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.401 -13.449 -11.808 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.454 -13.994 -9.555 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.828 -7.085 -8.170 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.392 -6.113 -7.230 1.00 0.00 C ATOM 1808 C PRO A 116 -3.431 -6.736 -6.304 1.00 0.00 C ATOM 1809 O PRO A 116 -3.716 -7.931 -6.390 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.046 -5.074 -8.144 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.353 -5.814 -9.400 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.261 -6.837 -9.555 1.00 0.00 C ATOM 0 HA PRO A 116 -1.632 -5.700 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.951 -4.665 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.376 -4.235 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.331 -6.292 -9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.379 -5.138 -10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.627 -7.747 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.443 -6.462 -10.171 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.994 -5.921 -5.419 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.000 -6.394 -4.476 1.00 0.00 C ATOM 1822 C TYR A 117 -6.406 -6.203 -5.038 1.00 0.00 C ATOM 1823 O TYR A 117 -6.644 -5.318 -5.858 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.867 -5.655 -3.143 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.132 -5.668 -2.315 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.674 -6.863 -1.857 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.784 -4.485 -1.988 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.829 -6.879 -1.101 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.939 -4.492 -1.231 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.458 -5.691 -0.790 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.609 -5.704 -0.035 1.00 0.00 O ATOM 0 H TYR A 117 -3.771 -4.929 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.835 -7.459 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.060 -6.107 -2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.580 -4.621 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.183 -7.795 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.380 -3.544 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.238 -7.817 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.433 -3.563 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.240 -5.043 -0.389 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.334 -7.042 -4.588 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.705 -6.950 -5.055 1.00 0.00 C ATOM 1843 C GLY A 118 -8.886 -7.536 -6.442 1.00 0.00 C ATOM 1844 O GLY A 118 -9.815 -8.306 -6.682 1.00 0.00 O ATOM 0 H GLY A 118 -7.161 -7.783 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.359 -7.471 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.014 -5.905 -5.062 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.996 -7.169 -7.358 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.064 -7.659 -8.729 1.00 0.00 C ATOM 1850 C TYR A 119 -7.964 -9.181 -8.768 1.00 0.00 C ATOM 1851 O TYR A 119 -7.176 -9.783 -8.038 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.946 -7.042 -9.570 1.00 0.00 C ATOM 1853 CG TYR A 119 -7.169 -7.168 -11.060 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -6.775 -8.310 -11.747 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -7.771 -6.145 -11.782 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -6.976 -8.429 -13.108 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -7.977 -6.256 -13.143 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.578 -7.400 -13.802 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.780 -7.515 -15.158 1.00 0.00 O ATOM 0 H TYR A 119 -7.219 -6.534 -7.175 1.00 0.00 H new ATOM 0 HA TYR A 119 -9.027 -7.365 -9.146 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.850 -5.987 -9.313 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.002 -7.520 -9.311 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.304 -9.118 -11.207 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -8.083 -5.247 -11.270 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.663 -9.323 -13.627 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.448 -5.451 -13.688 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.906 -8.459 -15.391 1.00 0.00 H new ATOM 1869 N THR A 120 -8.769 -9.799 -9.628 1.00 0.00 N ATOM 1870 CA THR A 120 -8.773 -11.250 -9.764 1.00 0.00 C ATOM 1871 C THR A 120 -7.871 -11.697 -10.909 1.00 0.00 C ATOM 1872 O THR A 120 -7.774 -11.023 -11.935 1.00 0.00 O ATOM 1873 CB THR A 120 -10.196 -11.787 -10.006 1.00 0.00 C ATOM 1874 OG1 THR A 120 -10.167 -13.214 -10.123 1.00 0.00 O ATOM 1875 CG2 THR A 120 -10.796 -11.182 -11.266 1.00 0.00 C ATOM 0 H THR A 120 -9.426 -9.316 -10.241 1.00 0.00 H new ATOM 0 HA THR A 120 -8.394 -11.657 -8.827 1.00 0.00 H new ATOM 0 HB THR A 120 -10.817 -11.505 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 120 -11.076 -13.548 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 120 -11.801 -11.576 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 120 -10.843 -10.098 -11.162 1.00 0.00 H new ATOM 0 HG23 THR A 120 -10.174 -11.438 -12.124 1.00 0.00 H new ATOM 1883 N SER A 121 -7.215 -12.838 -10.728 1.00 0.00 N ATOM 1884 CA SER A 121 -6.318 -13.374 -11.746 1.00 0.00 C ATOM 1885 C SER A 121 -6.456 -14.890 -11.848 1.00 0.00 C ATOM 1886 O SER A 121 -6.198 -15.614 -10.887 1.00 0.00 O ATOM 1887 CB SER A 121 -4.869 -13.003 -11.426 1.00 0.00 C ATOM 1888 OG SER A 121 -3.966 -13.707 -12.261 1.00 0.00 O ATOM 0 H SER A 121 -7.287 -13.410 -9.886 1.00 0.00 H new ATOM 0 HA SER A 121 -6.594 -12.936 -12.705 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.728 -11.930 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.655 -13.229 -10.381 1.00 0.00 H new ATOM 0 HG SER A 121 -3.047 -13.451 -12.038 1.00 0.00 H new ATOM 1894 N GLY A 122 -6.866 -15.364 -13.021 1.00 0.00 N ATOM 1895 CA GLY A 122 -7.032 -16.790 -13.228 1.00 0.00 C ATOM 1896 C GLY A 122 -6.776 -17.202 -14.664 1.00 0.00 C ATOM 1897 O GLY A 122 -5.778 -17.851 -14.978 1.00 0.00 O ATOM 0 H GLY A 122 -7.086 -14.785 -13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -6.351 -17.331 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -8.044 -17.079 -12.945 1.00 0.00 H new ATOM 1901 N PRO A 123 -7.694 -16.821 -15.565 1.00 0.00 N ATOM 1902 CA PRO A 123 -7.585 -17.144 -16.991 1.00 0.00 C ATOM 1903 C PRO A 123 -6.456 -16.381 -17.674 1.00 0.00 C ATOM 1904 O PRO A 123 -6.234 -16.525 -18.876 1.00 0.00 O ATOM 1905 CB PRO A 123 -8.941 -16.713 -17.557 1.00 0.00 C ATOM 1906 CG PRO A 123 -9.424 -15.660 -16.620 1.00 0.00 C ATOM 1907 CD PRO A 123 -8.908 -16.045 -15.261 1.00 0.00 C ATOM 0 HA PRO A 123 -7.355 -18.197 -17.154 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -8.842 -16.326 -18.571 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -9.636 -17.552 -17.603 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -9.054 -14.677 -16.914 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -10.513 -15.605 -16.623 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -8.683 -15.169 -14.653 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -9.636 -16.638 -14.708 1.00 0.00 H new ATOM 1915 N SER A 124 -5.743 -15.569 -16.899 1.00 0.00 N ATOM 1916 CA SER A 124 -4.638 -14.780 -17.431 1.00 0.00 C ATOM 1917 C SER A 124 -3.506 -15.684 -17.909 1.00 0.00 C ATOM 1918 O SER A 124 -2.747 -16.225 -17.104 1.00 0.00 O ATOM 1919 CB SER A 124 -4.118 -13.811 -16.368 1.00 0.00 C ATOM 1920 OG SER A 124 -3.094 -12.982 -16.891 1.00 0.00 O ATOM 0 H SER A 124 -5.911 -15.441 -15.901 1.00 0.00 H new ATOM 0 HA SER A 124 -5.008 -14.209 -18.283 1.00 0.00 H new ATOM 0 HB2 SER A 124 -4.938 -13.194 -16.002 1.00 0.00 H new ATOM 0 HB3 SER A 124 -3.736 -14.372 -15.515 1.00 0.00 H new ATOM 0 HG SER A 124 -2.779 -12.371 -16.193 1.00 0.00 H new ATOM 1926 N SER A 125 -3.399 -15.844 -19.224 1.00 0.00 N ATOM 1927 CA SER A 125 -2.362 -16.685 -19.810 1.00 0.00 C ATOM 1928 C SER A 125 -1.461 -15.872 -20.734 1.00 0.00 C ATOM 1929 O SER A 125 -1.930 -15.009 -21.476 1.00 0.00 O ATOM 1930 CB SER A 125 -2.994 -17.843 -20.585 1.00 0.00 C ATOM 1931 OG SER A 125 -3.876 -17.367 -21.587 1.00 0.00 O ATOM 0 H SER A 125 -4.018 -15.402 -19.904 1.00 0.00 H new ATOM 0 HA SER A 125 -1.754 -17.087 -19.000 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.211 -18.448 -21.043 1.00 0.00 H new ATOM 0 HB3 SER A 125 -3.537 -18.491 -19.897 1.00 0.00 H new ATOM 0 HG SER A 125 -4.265 -18.127 -22.068 1.00 0.00 H new ATOM 1937 N GLY A 126 -0.163 -16.154 -20.683 1.00 0.00 N ATOM 1938 CA GLY A 126 0.785 -15.441 -21.520 1.00 0.00 C ATOM 1939 C GLY A 126 1.188 -16.236 -22.746 1.00 0.00 C ATOM 1940 O GLY A 126 2.239 -16.877 -22.761 1.00 0.00 O ATOM 0 H GLY A 126 0.249 -16.863 -20.077 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.347 -14.493 -21.833 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.674 -15.204 -20.936 1.00 0.00 H new TER 1944 GLY A 126